smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)C[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 218410525 FKHFYSWNACYBQW-YWZLYKJASA-N 390.487 3.811 70 50 GHIA Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1 159711198 LFDMQVGSORHRMU-UHFFFAOYSA-N 396.397 3.603 70 50 GHIA C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1)c1ccc2c(c1)CCC(=O)N2 159949941 YJTIBOWOIYPRRO-GFCCVEGCSA-N 396.397 3.526 70 50 GHIA Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC(c4nc(C)no4)CC3)c2C)c1 160916224 SNKOLYKMYOYLEC-UHFFFAOYSA-N 394.479 3.900 70 50 GHIA O=C(c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1)N1CCc2ccccc2C1 218290864 IZTACPRAKVJTKI-UHFFFAOYSA-N 394.858 3.806 70 50 GHIA COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2cc(Cl)ccc2c1O 218373341 IWOHUHQMSWWVCV-UHFFFAOYSA-N 385.807 3.813 70 50 GHIA Cc1nc(C(C)(C)NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)sc1C 160116516 ZMORDWWBCILCBL-INIZCTEOSA-N 375.494 3.984 70 50 GHIA O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)OCc1cccnc1 95698239 UUHBTJXAGFHPIL-UHFFFAOYSA-N 376.821 3.911 70 50 GHIA O=C(c1cc(=O)c(OCc2ccccc2Cl)c[nH]1)N1CCc2ccccc2C1 218342758 UASAEWZVFGDXSY-UHFFFAOYSA-N 394.858 3.806 70 50 GHIA COC[C@@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccco1 160984326 GUVUMPFFQUZROM-OAHLLOKOSA-N 394.353 3.993 70 50 GHIA Cc1nn(C)c2nc3c(c(C(=O)Nc4ccc(Br)cc4)c12)CCC3 218515568 MQWVONLMZDCMOM-UHFFFAOYSA-N 385.265 3.780 70 50 GHIA Cc1nc2sc([C@H](c3ccccc3OC(F)(F)F)N3CCCC3)c(O)n2n1 218362150 RQHNFIGWPDCVQR-ZDUSSCGKSA-N 398.410 3.889 70 50 GHIA CC(C)n1c(CCNC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21 218169112 RRTOPKFAWDWWMN-UHFFFAOYSA-N 393.487 3.680 70 50 GHIA COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)c2ccccc2oc1=O 218187006 CIPMRMLGMUNAPT-AWEZNQCLSA-N 390.338 3.795 70 50 GHIA O=C(C[C@@H]1CCOc2ccccc21)NCc1ccc(COC2CCOCC2)cc1 161480523 DWTXIIGWTXQEQM-FQEVSTJZSA-N 395.499 3.955 70 50 GHIA CC(=O)Nc1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1 218454023 DITAOEZNPSVORG-FXAWDEMLSA-N 395.484 3.632 70 50 GHIA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c(OC)c1 217778936 PWTIWNVCZVGBMI-HNNXBMFYSA-N 382.412 3.889 70 50 GHIA biogenic COc1cc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)ccc1F 218738714 UOUASPSTUZBXLZ-JOCHJYFZSA-N 381.451 3.518 70 50 GHIA Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2)n1 217855544 GYSXTLVLSXTOSI-JTHBVZDNSA-N 394.563 3.802 70 50 GHIA biogenic Oc1c([C@@H](c2cccc(OC(F)F)c2)N2CCCCC2)sc2ncnn12 218548699 KANPBVYJQGTGRQ-CYBMUJFWSA-N 380.420 3.673 70 50 GHIA CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccccc1Cl 218232987 DEXXKJGXJZBORH-INIZCTEOSA-N 378.929 3.597 70 50 GHIA O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1cccc(-n2cnnn2)c1 218456155 OEHKYGFIYDBVLI-KRWDZBQOSA-N 392.850 3.604 70 50 GHIA O=C(c1n[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 218032277 PMCDLQQXWDTKRI-VTAPXXACSA-N 376.504 3.598 70 50 GHIA biogenic O=C(Nc1cccnc1-n1cncn1)NC1(c2ccc(F)cc2F)CCCCC1 160731473 XAFREWWEZOTRGE-UHFFFAOYSA-N 398.417 3.922 70 50 GHIA O=C(CCCCCN1Cc2ccccc2C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217753740 ZVWGEWSJVWZVRZ-SIKLNZKXSA-N 397.563 3.584 70 50 GHIA biogenic COCc1c(Cl)cccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 161145513 FSENFAUCRJAEOT-UHFFFAOYSA-N 395.843 3.612 70 50 GHIA O=C(N[C@H](CO)Cc1ccccc1)c1c[nH]nc1-c1ccc(Cl)cc1Cl 218173563 HPXWDKJBIIDDGX-AWEZNQCLSA-N 390.270 3.717 70 50 GHIA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC(c2nc3ccccc3o2)CC1 216919635 SQICBOJYGKJNDZ-UHFFFAOYSA-N 391.402 3.828 70 50 GHIA CC(C)OC1CCC(NC(=O)c2sccc2NC(=O)c2ccncc2)CC1 159487742 PODROYWJQGUKAY-UHFFFAOYSA-N 387.505 3.861 70 50 GHIA CC(C)c1ccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1 218281009 HJTWWURLVJVKPU-UHFFFAOYSA-N 384.476 3.767 70 50 GHIA COc1cc2c(cc1OC)CN(C(=O)c1cnc3ccc(Cl)cc3c1O)CC2 217936338 KSVCHNYDCOFYRT-UHFFFAOYSA-N 398.846 3.810 70 50 GHIA biogenic O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 160863285 QXYQIHROSCZXQB-GFCCVEGCSA-N 393.369 3.998 70 50 GHIA CC(C)Cn1ccc2c(NC(=O)Cn3ncc4c(c3=O)CCCCC4)cccc21 218451717 NYWPXHCFCBKJPD-UHFFFAOYSA-N 392.503 3.762 70 50 GHIA O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cc(-c2ccccn2)n[nH]1 218381003 VWMODYBAETYDIZ-QGZVFWFLSA-N 375.407 3.900 70 50 GHIA CC(C)n1nnc(-c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2)n1 218055308 ZJGLNNYSWJRSSW-IBGZPJMESA-N 376.464 3.683 70 50 GHIA biogenic COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H]3c4ccccc4OC(=O)[C@@H]23)cc1 217526907 RNGXRKMCDCIEIL-XHSDSOJGSA-N 397.477 3.959 70 50 GHIA CCOc1ccc2c(c1)CN(C(=O)Nc1ccc(O[C@H]3CCOC3)cc1)CC2 160439016 NZXUFSLFROXKKL-NRFANRHFSA-N 382.460 3.843 70 50 GHIA COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1c(F)cccc1F 218158211 TZVVIXIAJKXBHV-UHFFFAOYSA-N 387.382 3.637 70 50 GHIA O=C(Cc1c(F)ccc(F)c1F)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 217156541 CFDQZMLZVQABLK-SJORKVTESA-N 388.433 3.769 70 50 GHIA Cc1c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cccc1S(C)(=O)=O 161317022 UFIOAAMFXFRXCU-UHFFFAOYSA-N 389.864 3.694 70 50 GHIA CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3noc4c3CCCC4)C2=O)cc1 217007278 QWVWRRIESVUYCO-QFIPXVFZSA-N 381.476 3.818 70 50 GHIA CC(C)Cn1c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc2ccccc21 218301317 PTFHKVVIENDPJK-IBGZPJMESA-N 377.492 3.881 70 50 GHIA O=C(NCc1ccccc1)c1cc(Br)c(O)c(Br)c1 160665393 IXQZOAQZXLNDMQ-UHFFFAOYSA-N 385.055 3.847 70 50 GHIA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCc2c(Cl)cc(Cl)cc2C1 159694427 RGTSTFJZOZVVGX-GFCCVEGCSA-N 395.290 3.817 70 50 GHIA COc1cc2cc(C(=O)NCCn3ccc4ccc(F)cc43)[nH]c2cc1OC 218282680 POLVTUMYTFFRCT-UHFFFAOYSA-N 381.407 3.709 70 50 GHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 217717340 AOAYESJSAZLPNK-CQSZACIVSA-N 389.407 3.713 70 50 GHIA biogenic O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 160240901 AIEJDGZBIRDTRA-HXUWFJFHSA-N 396.491 3.561 70 50 GHIA COCCn1c([C@H](C)NC(=O)c2ccc3ccn(C)c3c2)nc2ccccc21 218369499 OKMAFCHNVNTMNR-HNNXBMFYSA-N 376.460 3.665 70 50 GHIA COC(=O)C[C@H](c1c(F)cccc1Cl)c1c(O)c2ccccc2oc1=O 218193529 CHXULNYFLSTNGP-LLVKDONJSA-N 376.767 3.986 70 50 GHIA O=C(Cn1cnc(Cl)c1Cl)Nc1cccnc1SCc1ccccn1 218168728 JQADGKVMLKNCQG-UHFFFAOYSA-N 394.287 3.911 70 50 GHIA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc(-c2ccccn2)n[nH]1 217853490 DDZSXLOIFJBAQU-SFHVURJKSA-N 387.443 3.769 70 50 GHIA biogenic O=C(C[C@@H](c1cc2c(cc1O)OCO2)c1cccnc1Cl)N1CCCCC1 218600531 RKQNKUBEUXOPLW-CQSZACIVSA-N 388.851 3.704 70 50 GHIA CC(=O)Nc1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1 218453873 DITAOEZNPSVORG-PXNSSMCTSA-N 395.484 3.632 70 50 GHIA O=C(CC1(n2cccc2)CCOCC1)NCCc1nc(-c2ccccc2)cs1 218153456 VHPGELHZGBDRKG-UHFFFAOYSA-N 395.528 3.866 70 50 GHIA CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nn1-c1ccccc1 160269262 BLGKRTXBJFWJTF-AWEZNQCLSA-N 390.443 3.967 70 50 GHIA Cn1cnc(-c2ccc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)cc2)n1 161162333 YNNCBEHMINWQNE-UHFFFAOYSA-N 383.402 3.957 70 50 GHIA CC(C)c1ccccc1OCCC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385486 ULOWLXFHBORDNE-UHFFFAOYSA-N 381.425 3.811 70 50 GHIA CCc1n[nH]c(-c2ccccc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 161140947 CEXFTOUYAWLQQY-UHFFFAOYSA-N 398.850 3.640 70 50 GHIA COCCn1c([C@H](C)NC(=O)Cn2ccc3ccc(F)cc32)nc2ccccc21 218419930 CTSLIPXSOKRAFQ-HNNXBMFYSA-N 394.450 3.654 70 50 GHIA COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)oc2c1C(=O)CCC2)CC3 218157002 HXTLGPWPEMJLIJ-UHFFFAOYSA-N 378.428 3.795 70 50 GHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 217717253 AOAYESJSAZLPNK-AWEZNQCLSA-N 389.407 3.713 70 50 GHIA biogenic O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1cccc(-n2cnnn2)c1 218614310 GFCZVWKOGMNRKW-SFHVURJKSA-N 392.850 3.604 70 50 GHIA CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2c1=O 218434545 WIOBREOQZZVZHE-UHFFFAOYSA-N 391.431 3.678 70 50 GHIA O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@H](c2nc3ccccc3o2)C1 160863413 QXYQIHROSCZXQB-LBPRGKRZSA-N 393.369 3.998 70 50 GHIA CS(=O)(=O)N(Cc1noc(C2CCCCC2)n1)c1ccc(Cl)cc1F 160627838 UFNFKYLARPUCMW-UHFFFAOYSA-N 387.864 3.876 70 50 GHIA CC[C@H](C)[C@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 218382359 QKUMITXJIKBJQK-BTYIYWSLSA-N 390.487 3.812 70 50 GHIA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1c(C)cc(C)cc1-n1cccn1)C2 218701618 SOSOWNUXFPIAIW-JOCHJYFZSA-N 379.508 3.535 70 50 GHIA O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1 159803184 JOQMGMGYQYXGPX-SFHVURJKSA-N 395.290 3.883 70 50 GHIA COc1ccc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc1Cl 218264917 SJALKMJXNSZMSZ-HXUWFJFHSA-N 375.900 3.785 70 50 GHIA Cn1nccc1C1CCN(C(=O)NCc2csc(-c3ccccc3)n2)CC1 160082171 HHXKITVTQHROJU-UHFFFAOYSA-N 381.505 3.633 70 50 GHIA COC(=O)C[C@@H](c1c(F)cccc1Cl)c1c(O)c2ccccc2oc1=O 218193591 CHXULNYFLSTNGP-NSHDSACASA-N 376.767 3.986 70 50 GHIA Cc1nc(C(C)(C)NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)sc1C 160116430 ZMORDWWBCILCBL-MRXNPFEDSA-N 375.494 3.984 70 50 GHIA Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)C(C)C)o1 217654847 CDNSSDSBBXFPSO-KRWDZBQOSA-N 394.471 3.850 70 50 GHIA biogenic CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3noc4c3CCCC4)C2=O)cc1 217007269 QWVWRRIESVUYCO-JOCHJYFZSA-N 381.476 3.818 70 50 GHIA CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)c1C 218129874 MSJNNRXZSLNSJZ-UHFFFAOYSA-N 376.482 3.960 70 50 GHIA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC 217721855 CCYLNEDUCNTZAG-CQSZACIVSA-N 382.412 3.889 70 50 GHIA biogenic Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCCCC3)c(O)n2n1 218539458 UXNWAYILTKRSBX-AWEZNQCLSA-N 382.411 3.797 70 50 GHIA CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)S(=O)(=O)F 1875368418 PQNMQOOJTCITKK-UHFFFAOYSA-N 379.844 3.839 70 50 GHIA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCOc2c(Cl)cccc21 161014043 XBGFWZYOWQPFBT-UHFFFAOYSA-N 387.789 3.684 70 50 GHIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1SC(F)F 1875383772 APIJMPMGMCDSBM-UHFFFAOYSA-N 377.365 3.847 70 50 GHIA O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cc(-c2ccccn2)n[nH]1 218380917 VWMODYBAETYDIZ-KRWDZBQOSA-N 375.407 3.900 70 50 GHIA COCCn1ccc2ccc(C(=O)NCCn3ccc4cc(OC)ccc43)cc21 217948886 GRJKGFPGRBFIEB-UHFFFAOYSA-N 391.471 3.681 70 50 GHIA biogenic Cc1c(NC(=O)c2cc(F)c(Cl)cc2F)c(=O)n(-c2ccccc2)n1C 160424636 VSQUOFBPXLZQSC-UHFFFAOYSA-N 377.778 3.668 70 50 GHIA O=C1C[C@H](c2coc3ccc(Cl)cc3c2=O)c2c(c3ccccc3oc2=O)O1 217736440 OMHFBERJFRMHML-GFCCVEGCSA-N 394.766 3.994 70 50 GHIA biogenic CCN(CC)Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(-c2ccccc2)o1 217466846 GKBFVMDNLZBQRT-UHFFFAOYSA-N 380.492 3.794 70 50 GHIA CC(C)c1nnc([C@H](C)NC(=O)c2ccccc2OC(F)(F)C(F)F)o1 218288174 MRMABSYZYSVJIJ-VIFPVBQESA-N 375.322 3.921 70 50 GHIA Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)cs2)cc1 160712286 UOQREQWFRKQKCB-OXQOHEQNSA-N 388.558 3.827 70 50 GHIA Cc1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1 161405124 MQBWUCPUKUEMBH-QGZVFWFLSA-N 393.878 3.509 70 50 GHIA CC(=O)Nc1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1 218453947 DITAOEZNPSVORG-XLIONFOSSA-N 395.484 3.632 70 50 GHIA Cc1nn(C)c2nc3c(c(C(=O)Nc4cccc(Br)c4)c12)CCC3 218484781 BUDUUIBRNCGFHV-UHFFFAOYSA-N 385.265 3.780 70 50 GHIA COC(=O)C[C@@H]1c2cc3c(cc2Oc2nc4cc(OC)ccc4cc21)OCO3 217932491 DLKAUJRENNUIAC-CYBMUJFWSA-N 379.368 3.773 70 50 GHIA biogenic COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)no2)c1 159618224 OSYOSFMHFPJFDE-CQSZACIVSA-N 386.448 3.580 70 50 GHIA CC(C)n1c(CNC(=O)CC2(n3cccc3)CCOCC2)nc2ccccc21 218317166 WCYPXCDRWUSVJH-UHFFFAOYSA-N 380.492 3.631 70 50 GHIA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccccc1)CC(=O)O2 218026108 HHSQJEDBYBRXEQ-LJQANCHMSA-N 375.424 3.546 70 50 GHIA biogenic O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCOC2(CCCC2)C1 160188714 CUOMYNFNOKXLMR-KRWDZBQOSA-N 382.460 3.861 70 50 GHIA CC(=O)c1ccc2c(c1O)[C@@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2 218164755 NFLIRBJNZKUYCX-MRXNPFEDSA-N 376.368 3.618 70 50 GHIA CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OS(=O)(=O)F)cc12 1875368295 HSBNEMDQNOWZBT-UHFFFAOYSA-N 391.420 3.768 70 50 GHIA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc(-c2ccccn2)n[nH]1 217853586 DDZSXLOIFJBAQU-GOSISDBHSA-N 387.443 3.769 70 50 GHIA biogenic CC(C)[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C 218221764 UILXVFACFRYJAS-FQEVSTJZSA-N 388.471 3.552 70 50 GHIA Cc1c(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)sc2nc[nH]c(=O)c12 218430706 WPPNMOUYZZEYIU-AWEZNQCLSA-N 395.488 3.687 70 50 GHIA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccccc1)CC(=O)O2 218026021 HHSQJEDBYBRXEQ-IBGZPJMESA-N 375.424 3.546 70 50 GHIA biogenic COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)c2ccccc2oc1=O 218186935 CIPMRMLGMUNAPT-CQSZACIVSA-N 390.338 3.795 70 50 GHIA [N-]=[N+]=NS(=O)(=O)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 214947610 CMKZHNRDAKTESB-UHFFFAOYSA-N 393.249 3.600 70 50 GHIA CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1 217638019 RCJZDXBAYVNKIO-UHFFFAOYSA-N 386.455 3.666 70 50 GHIA biogenic CC(C)c1cccc2c(=O)c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c[nH]c12 217784509 UBRKBSVIKOHDBK-OXJNMPFZSA-N 381.520 3.646 70 50 GHIA biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2nc(C)ccc2c1 218319230 REKAUARXANIKSE-GOSISDBHSA-N 392.411 3.801 70 50 GHIA COCCn1cc(CCC(=O)NCCn2ccc3ccccc32)c2ccccc21 218030533 FOMRARJJAUPJKT-UHFFFAOYSA-N 389.499 3.991 70 50 GHIA biogenic COc1ccc(CC(=O)Nc2ccc3ncn(CCC(C)C)c(=O)c3c2)cc1 218057352 XIRYVJMDQQLIFR-UHFFFAOYSA-N 379.460 3.632 70 50 GHIA biogenic COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)c2ccccc2oc1=O 218123290 XKFAEFNIDYNHFZ-LLVKDONJSA-N 378.302 3.611 70 50 GHIA CCCN(C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 160810894 NEKGXVSUYUUCLI-IBGZPJMESA-N 383.540 3.993 70 50 GHIA CN(c1ccccc1NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)S(C)(=O)=O 160526940 OELADQSDBSCMLC-QGZVFWFLSA-N 387.505 3.627 70 50 GHIA COC(=O)C[C@H]1c2cc3c(cc2Oc2nc4cc(OC)ccc4cc21)OCO3 217932401 DLKAUJRENNUIAC-ZDUSSCGKSA-N 379.368 3.773 70 50 GHIA biogenic CN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc2c(c1)OCO2 160630060 KGPYWLBTIMQHSE-UHFFFAOYSA-N 389.333 3.896 70 50 GHIA CC(C)C[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C 218146852 SENNARUDLJAYAC-SFHVURJKSA-N 388.475 3.876 70 50 GHIA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c(OC)c1 217779030 PWTIWNVCZVGBMI-OAHLLOKOSA-N 382.412 3.889 70 50 GHIA biogenic COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](C(C)C)CC(=O)O4)cc1O 217742672 GLMPQPKWMLPIHY-GFCCVEGCSA-N 396.395 3.929 70 50 GHIA biogenic COc1cc(NCC2=Cc3cc(Cl)ccc3OC2)ccc1NS(C)(=O)=O 159927572 NVQOBAZKNIVNHZ-UHFFFAOYSA-N 394.880 3.608 70 50 GHIA O=C(C[C@H]1CCOc2ccccc21)NCc1ccc(COC2CCOCC2)cc1 161480642 DWTXIIGWTXQEQM-HXUWFJFHSA-N 395.499 3.955 70 50 GHIA CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3nc4ccccc4cc3CO)C2)C1 160026775 JDUZWNISSIMFCK-JOCHJYFZSA-N 383.492 3.564 70 50 GHIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCc2cccc(Cl)c2C1 1875381981 MVEJSSDIEFHABV-UHFFFAOYSA-N 384.816 3.523 70 50 GHIA COc1c(C)cccc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218658216 GWWFAMNEHMEIDX-IAYYMHMVSA-N 376.456 3.794 70 50 GHIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H](Cc1cccnc1)C1CCCC1 1875385022 LDFAVRWZRZHGBD-GOSISDBHSA-N 392.452 3.662 70 50 GHIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2 218067785 LGALFAYSCAJSGI-ZDUSSCGKSA-N 385.851 3.896 70 50 GHIA O=C(CSc1nccc2ccccc12)N[C@H]1CCN(C(=O)C2CCCCC2)C1 159443751 XXCXQOWFGQXGLU-SFHVURJKSA-N 397.544 3.624 70 50 GHIA COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc2c1OCO2 217652819 DBHUMPCIHYZILQ-ZDUSSCGKSA-N 396.395 3.609 70 50 GHIA biogenic CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C 218199509 MAIGSZKEUCTXLN-QFIPXVFZSA-N 393.487 3.791 70 50 GHIA O=C(CCn1ccc(=O)c2ccccc21)NCCn1ccc2ccc(Cl)cc21 218603086 VZEIPFCYPXJXAA-UHFFFAOYSA-N 393.874 3.816 70 50 GHIA COCCn1ccc2c(C(=O)NCCn3ccc4c(OC)cccc43)cccc21 218479839 SMUDBIYDJICMNX-UHFFFAOYSA-N 391.471 3.681 70 50 GHIA O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(O[C@H]2CCOC2)cc1 160241068 AIEJDGZBIRDTRA-FQEVSTJZSA-N 396.491 3.561 70 50 GHIA CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1cccc(Cl)c1 218293727 ALYGLHIOMIHSCA-MRXNPFEDSA-N 378.929 3.597 70 50 GHIA O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 865209341 PVASJOJTGUCOJQ-INIZCTEOSA-N 388.420 3.853 70 50 GHIA O=c1c(CN2CCCCC2)coc(O)c1CN1CC=C(c2ccc(F)cc2)CC1 218326153 QXRZEHXLAWTAJC-UHFFFAOYSA-N 398.478 3.760 70 50 GHIA Cc1cccc2[nH]c(CCNC(=O)c3ccc(CN4CCC(C)CC4)o3)nc12 217140994 ZRXNNONDILWVLS-UHFFFAOYSA-N 380.492 3.669 70 50 GHIA COc1cc(CC(=O)NCc2ccc3[nH]c(C)cc3c2)c(C(C)=O)cc1OC 218749739 SPEPVOAGRGNBSR-UHFFFAOYSA-N 380.444 3.555 70 50 GHIA O=C(NCCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 218266718 WLSXOCHWAZGBRO-LJQANCHMSA-N 393.462 3.518 70 50 GHIA CC(C)C[C@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 218148187 XZNGMNAICGGZGK-FQEVSTJZSA-N 390.487 3.812 70 50 GHIA O=S(=O)(OC(F)(F)c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 261494977 ZDINZSKCUNBTKJ-UHFFFAOYSA-N 379.612 3.669 70 50 GHIA Cn1cnc(-c2ccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2)n1 160847777 ROWZGAGUJVONHF-GOSISDBHSA-N 397.866 3.741 70 50 GHIA CC(C)Cn1ccc2c(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)cccc21 218390273 IXVMHNQLRKFHIY-UHFFFAOYSA-N 381.476 3.555 70 50 GHIA COc1cn(CC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)cc1=O 218422106 VLUVQGPOYHBCJT-UHFFFAOYSA-N 390.483 3.504 70 50 GHIA O=C(c1ccccc1-c1ccccc1)N1CCC(CO)(CN2CCCC2)CC1 218008521 HEULTHXPNZKWTB-UHFFFAOYSA-N 378.516 3.664 70 50 GHIA O=C(CC1(n2cccc2)CCOCC1)NCCSc1ccc(Cl)cc1 218401930 CKVBTFSBVGNKDN-UHFFFAOYSA-N 378.925 3.946 70 50 GHIA COc1ccc(CNc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1 218344386 HPYLOKPYUSFKHV-UHFFFAOYSA-N 379.485 3.962 70 50 GHIA O=C(CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1nccs1 218610595 KIBVRBGSUJDYBV-GOSISDBHSA-N 378.457 3.738 70 50 GHIA CC(=O)Nc1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1 218454096 DITAOEZNPSVORG-YLJYHZDGSA-N 395.484 3.632 70 50 GHIA CC1CCN(Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)nc2)CC1 160053593 LMPBGBLKICJZSK-UHFFFAOYSA-N 392.425 3.657 70 50 GHIA Cc1nc2sc([C@@H](c3ccccc3OC(F)(F)F)N3CCCC3)c(O)n2n1 218362070 RQHNFIGWPDCVQR-CYBMUJFWSA-N 398.410 3.889 70 50 GHIA CN(Cc1ccccc1)C(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 218464816 FYESXYKLVPSYCY-UHFFFAOYSA-N 383.451 3.722 70 50 GHIA CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1 95698128 ZVTUSZZSDWARDI-UHFFFAOYSA-N 399.812 3.565 70 50 GHIA Cc1c(Cl)ccc2c1CN(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)CC2 1875382485 CSERYCWVHQKZPH-UHFFFAOYSA-N 398.843 3.832 70 50 GHIA Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2C)c1 160270481 NRIZVRNGGZPPCW-HNNXBMFYSA-N 390.443 3.769 70 50 GHIA Cn1c(CCCNC(=O)c2cnc3c(Cl)cccc3c2O)nc2ccccc21 218451605 GZSKKQQUHKFNQX-UHFFFAOYSA-N 394.862 3.843 70 50 GHIA CCc1ncc2c(n1)CN(C(=O)Nc1cccc(N3CCC(C)CC3)c1)CC2 159767132 ZHYMRAZXAXAPTG-UHFFFAOYSA-N 379.508 3.866 70 50 GHIA Cc1nc(-c2cccc(NC(=O)Cc3ccc(Br)c(F)c3)c2)n[nH]1 159738819 HIWGNIKRCHWITI-UHFFFAOYSA-N 389.228 3.863 70 50 GHIA O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1cccc(-n2cnnn2)c1 218456065 OEHKYGFIYDBVLI-QGZVFWFLSA-N 392.850 3.604 70 50 GHIA COc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC 217021319 IYLDNEQWMLQFES-UHFFFAOYSA-N 398.503 3.748 70 50 GHIA Cn1nc(-c2cccs2)cc1C(=O)N[C@H](Cn1ccnc1)c1ccccc1 218767107 UGBXLUFHELJOQZ-QGZVFWFLSA-N 377.473 3.516 70 50 GHIA O=C(NCC1CCOCC1)c1sc(Br)nc1-c1ccccc1 218544849 IGXZSQLBWGPNPI-UHFFFAOYSA-N 381.295 3.729 70 50 GHIA O=C(CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)Nc1nccs1 218610672 KIBVRBGSUJDYBV-SFHVURJKSA-N 378.457 3.738 70 50 GHIA CC[C@H](O)c1cc2n(n1)CCCN(Cc1c(C)cc(C)cc1-n1cccn1)C2 218701709 SOSOWNUXFPIAIW-QFIPXVFZSA-N 379.508 3.535 70 50 GHIA Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCCCC3)c(O)n2n1 218539386 UXNWAYILTKRSBX-CQSZACIVSA-N 382.411 3.797 70 50 GHIA CC[C@H](C)[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 218177687 HPSQUCXZDZTESF-AVYPCKFXSA-N 390.487 3.811 70 50 GHIA CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nn1-c1ccccc1 160269145 BLGKRTXBJFWJTF-CQSZACIVSA-N 390.443 3.967 70 50 GHIA O=C(CC1(n2cccc2)CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 218314181 MOTMWPVKSAJPCL-UHFFFAOYSA-N 392.503 3.666 70 50 GHIA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC 217721768 CCYLNEDUCNTZAG-AWEZNQCLSA-N 382.412 3.889 70 50 GHIA biogenic O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCC[C@@H]1c1nc2ccccc2o1 865209342 PVASJOJTGUCOJQ-MRXNPFEDSA-N 388.420 3.853 70 50 GHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1coc2ccccc2c1=O)CC(=O)O3 217660077 AMFVMXOLBAXOEX-AWEZNQCLSA-N 390.391 3.978 70 50 GHIA biogenic O=C1C[C@@H](c2ccco2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1 217659726 XMEKLSLGCLQUBV-ZDUSSCGKSA-N 390.347 3.905 70 50 GHIA biogenic COC[C@@H]1[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]2CCO[C@@H]21 218448233 UFLXSCMPWOUOBL-RDGPPVDQSA-N 377.912 3.708 70 50 GHIA O=C(CC1(n2cccc2)CCOCC1)NCCn1ccc2c(Cl)cccc21 218381547 VUALNHUPKUPZAL-UHFFFAOYSA-N 385.895 3.808 70 50 GHIA Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)N3CCCCC3)c(O)n2n1 218492733 DMINFUAFIXPXTQ-AWEZNQCLSA-N 394.447 3.982 70 50 GHIA Cc1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c2c(C)nn(C)c2n1 218604813 NAPCWUZULWWANT-IBGZPJMESA-N 390.491 3.599 70 50 GHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1coc2ccccc2c1=O)CC(=O)O3 217660169 AMFVMXOLBAXOEX-CQSZACIVSA-N 390.391 3.978 70 50 GHIA biogenic O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1ccc(S(=O)(=O)F)cc1 1436540637 IYRAPJXHXAAYFJ-UHFFFAOYSA-N 381.856 3.893 70 50 GHIA CC(C)Cn1c(=O)c([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2ccccc21 217698369 VFUPMCWGVGXUCE-OAHLLOKOSA-N 391.423 3.827 70 50 GHIA biogenic C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1)c1ccc2c(c1)CCC(=O)N2 159949807 YJTIBOWOIYPRRO-LBPRGKRZSA-N 396.397 3.526 70 50 GHIA COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](C(C)C)CC(=O)O4)cc1O 217742736 GLMPQPKWMLPIHY-LBPRGKRZSA-N 396.395 3.929 70 50 GHIA biogenic Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C)c1 160270551 NRIZVRNGGZPPCW-OAHLLOKOSA-N 390.443 3.769 70 50 GHIA CN(c1ccccc1NC(=O)N[C@H]1CC(C)(C)c2ccccc21)S(C)(=O)=O 160526820 OELADQSDBSCMLC-KRWDZBQOSA-N 387.505 3.627 70 50 GHIA Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)cs2)cc1 160712567 UOQREQWFRKQKCB-UZLBHIALSA-N 388.558 3.827 70 50 GHIA O=S(=O)(F)Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 1875387315 BMIXLPCUDGJDDZ-UHFFFAOYSA-N 391.420 3.781 70 50 GHIA CC(C)[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2[nH]1 218304595 VSMRHEPILVWCRZ-FQEVSTJZSA-N 380.492 3.774 70 50 GHIA O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)N1CC[C@@]2(CCOC2)C1 159803316 JOQMGMGYQYXGPX-GOSISDBHSA-N 395.290 3.883 70 50 GHIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2nc(C)ccc2c1 218319290 REKAUARXANIKSE-SFHVURJKSA-N 392.411 3.801 70 50 GHIA O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1cccc(-n2cnnn2)c1 218614385 GFCZVWKOGMNRKW-GOSISDBHSA-N 392.850 3.604 70 50 GHIA COc1ccnc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1 159484037 DRBLDYZFTKQCAO-UHFFFAOYSA-N 385.427 3.649 70 50 GHIA O=S(=O)(F)Oc1cncc(-c2nc3cc(Br)ccc3s2)c1 1875390074 RMHNDZIVZGFHQV-UHFFFAOYSA-N 389.227 3.714 70 50 GHIA Cc1cncnc1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 217114712 AIFJQZRFYCOLLT-NRFANRHFSA-N 378.520 3.546 70 50 GHIA CN1CCC(C(=O)NCC2(N3CCCC3)CCCCC2)(c2ccccc2)CC1 218371905 GNKXTANIFOWOOX-UHFFFAOYSA-N 383.580 3.565 70 50 GHIA COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccn2ccnc2c1 161196743 NQQZJFDPUNSBFM-UHFFFAOYSA-N 392.459 3.611 70 50 GHIA O=C(NCCc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 218266777 WLSXOCHWAZGBRO-IBGZPJMESA-N 393.462 3.518 70 50 GHIA C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2-n2cccn2)CC1 160776837 OHKVFWWAJSVEIO-QGZVFWFLSA-N 390.491 3.614 70 50 GHIA O=S(=O)(Nc1nnc(SCc2ccccc2)[nH]1)C1=Cc2ccccc2CC1 160432943 UYAAZPIJSAYUBU-UHFFFAOYSA-N 398.513 3.826 70 50 GHIA COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCOC4(CCCC4)C3)no2)c1 159618342 OSYOSFMHFPJFDE-AWEZNQCLSA-N 386.448 3.580 70 50 GHIA Cn1c(CCCCCNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 218517483 OVGXZHJXGMHBLZ-UHFFFAOYSA-N 377.488 3.580 70 50 GHIA COCCn1c([C@H](C)NC(=O)c2ccc3c(ccn3C)c2)nc2ccccc21 218396020 NPGJTSYFTKXZAR-HNNXBMFYSA-N 376.460 3.665 70 50 GHIA C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(OCC(F)(F)F)n1 161285361 MVZNBBZTQDRAHI-NSHDSACASA-N 384.329 3.553 70 50 GHIA COc1cc2c(cc1OC)CN(C(=O)c1cnc3cc(Cl)ccc3c1O)CC2 217782140 FMUMRIUWWOOACH-UHFFFAOYSA-N 398.846 3.810 70 50 GHIA biogenic CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 218425395 IAOXKAUAHUDBFP-GMVOTWDCSA-N 376.460 3.641 70 50 GHIA COC(=O)c1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1 217691084 KIROKGRUQMHADC-HNNXBMFYSA-N 380.396 3.658 70 50 GHIA biogenic COc1c(C)cccc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218658146 GWWFAMNEHMEIDX-QYGXFBIXSA-N 376.456 3.794 70 50 GHIA O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@@H]1C1CC1 161288041 OEIBQBXCSPYPON-QGZVFWFLSA-N 392.908 3.555 70 50 GHIA C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(OCC(F)(F)F)n1 161285499 MVZNBBZTQDRAHI-LLVKDONJSA-N 384.329 3.553 70 50 GHIA Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cccc1S(C)(=O)=O 161304266 XGQSKZMFNNFCOQ-UHFFFAOYSA-N 390.848 3.959 70 50 GHIA CCc1noc(C)c1NC(=O)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 160562912 ISTSLXFKRGBHEL-UHFFFAOYSA-N 398.438 3.511 70 50 GHIA COc1nccc2cc(-c3ccccc3)c(OS(=O)(=O)C(F)(F)F)nc12 100759530 KLKOPIBJAKYFNF-UHFFFAOYSA-N 384.335 3.534 70 50 GHIA COc1ccc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)cc1Cl 218264868 SJALKMJXNSZMSZ-FQEVSTJZSA-N 375.900 3.785 70 50 GHIA CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3nc4ccccc4cc3CO)C2)C1 160026668 JDUZWNISSIMFCK-QFIPXVFZSA-N 383.492 3.564 70 50 GHIA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12 218133432 BXWXZJYUVKDFPR-SFHVURJKSA-N 383.451 3.630 70 50 GHIA Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)N3CCCC3)c(O)n2n1 218442962 XRFHWNXWHNMECM-ZDUSSCGKSA-N 380.420 3.591 70 50 GHIA COCCn1c(CNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 218276003 XUOGRKPANOPVHK-UHFFFAOYSA-N 394.519 3.850 70 50 GHIA Cc1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c2c(C)noc2n1 218527112 ZWZDRIIFUSANOP-SFHVURJKSA-N 377.448 3.853 70 50 GHIA Cc1cncnc1C1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 217114731 AIFJQZRFYCOLLT-OAQYLSRUSA-N 378.520 3.546 70 50 GHIA COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)c2ccccc2oc1=O 218123377 XKFAEFNIDYNHFZ-NSHDSACASA-N 378.302 3.611 70 50 GHIA O=C1C[C@H](c2ccco2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1 217659822 XMEKLSLGCLQUBV-CYBMUJFWSA-N 390.347 3.905 70 50 GHIA biogenic CC(C)[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2n1C 218543180 ZUJNKZYIZHGWIB-IBGZPJMESA-N 393.516 3.877 70 50 GHIA Cc1nc2sc([C@H](c3ccc(Br)s3)N3CCCC3)c(O)n2n1 218524679 ILVJZQXXNAVIAU-NSHDSACASA-N 399.339 3.814 70 50 GHIA C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2-n2cccn2)CC1 160776713 OHKVFWWAJSVEIO-KRWDZBQOSA-N 390.491 3.614 70 50 GHIA CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1cccc(Cl)c1 218293691 ALYGLHIOMIHSCA-INIZCTEOSA-N 378.929 3.597 70 50 GHIA CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccccc1Cl 218233064 DEXXKJGXJZBORH-MRXNPFEDSA-N 378.929 3.597 70 50 GHIA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CSc2ccc(C)cc2)o1 218439842 CFESOGXDURPJDA-IEBWSBKVSA-N 375.490 3.804 70 50 GHIA CC(C)n1nc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2c1=O 218010778 ZPEFGEDXFCVEBW-NRFANRHFSA-N 390.487 3.669 70 50 GHIA biogenic O=C1C[C@@H](c2coc3ccc(Cl)cc3c2=O)c2c(c3ccccc3oc2=O)O1 217736523 OMHFBERJFRMHML-LBPRGKRZSA-N 394.766 3.994 70 50 GHIA biogenic CC(C)c1nnc([C@@H](C)NC(=O)c2ccccc2OC(F)(F)C(F)F)o1 218288115 MRMABSYZYSVJIJ-SECBINFHSA-N 375.322 3.921 70 50 GHIA CC(C)[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C 218399580 IPMZFLSRTHEGSP-FQEVSTJZSA-N 379.460 3.862 70 50 GHIA O=C(NCc1cccs1)c1cc(Br)c(O)c(Br)c1 160918091 FUHZUOXGUPHZLS-UHFFFAOYSA-N 391.084 3.909 70 50 GHIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2 218067707 LGALFAYSCAJSGI-CYBMUJFWSA-N 385.851 3.896 70 50 GHIA Cc1nc2sc([C@@H](c3ccc(Br)s3)N3CCCC3)c(O)n2n1 218524604 ILVJZQXXNAVIAU-LLVKDONJSA-N 399.339 3.814 70 50 GHIA Brc1ccc(C2=NB(c3ccccc3)N(c3ccccc3)N2)cc1 195802487 RLDOHFARPGNJTO-UHFFFAOYSA-N 376.066 3.616 70 50 GHIA COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1ccc2c(Cl)cccc21 218384882 MNOMVBKYWVAZCF-SFHVURJKSA-N 384.863 3.585 70 50 GHIA C#Cc1cc(OS(=O)(=O)F)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 1875382890 VVXFZGYVGHDIRF-UHFFFAOYSA-N 387.310 3.532 70 50 GHIA Cc1cc(Oc2ccc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc2)n[nH]1 159498145 CRQANTHCDLCQIS-CQSZACIVSA-N 378.432 3.658 70 50 GHIA O=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nc2ccccc2[nH]1 218387940 MAIHEHTXAWZCFI-UHFFFAOYSA-N 394.519 3.789 70 50 GHIA CCOc1ccc2c(c1)CN(C(=O)Nc1ccc(O[C@@H]3CCOC3)cc1)CC2 160438882 NZXUFSLFROXKKL-OAQYLSRUSA-N 382.460 3.843 70 50 GHIA COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c2ccccc2oc1=O 217762056 DTJFOMDRUKREOA-KRWDZBQOSA-N 382.412 3.981 70 50 GHIA biogenic O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H](Cc1cccnc1)C1CCCC1 1875385023 LDFAVRWZRZHGBD-SFHVURJKSA-N 392.452 3.662 70 50 GHIA COCCn1cc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 218070424 WQDYMLGKPJFOMQ-NRFANRHFSA-N 377.488 3.979 70 50 GHIA biogenic O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1ccccc1Cl 218382682 YPKAMZMQGKOMQI-UHFFFAOYSA-N 390.867 3.687 70 50 GHIA COc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)F 1875374151 CMDCUGSLKAIRPO-UHFFFAOYSA-N 375.377 3.694 70 50 GHIA Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)C(C)C)o1 217654759 CDNSSDSBBXFPSO-QGZVFWFLSA-N 394.471 3.850 70 50 GHIA biogenic CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1c1nncn1C 159926993 XPYASOGJJVGKLP-ZDUSSCGKSA-N 383.374 3.602 70 50 GHIA COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c2ccccc2oc1=O 217761967 DTJFOMDRUKREOA-QGZVFWFLSA-N 382.412 3.981 70 50 GHIA biogenic CC(C)n1c(CCCNC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21 218291275 UOFOAIJZQAPHSN-UHFFFAOYSA-N 388.475 3.765 70 50 GHIA CC(C)[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nc2ccccc2n1C 218300000 YRTCPQDBVWCXJY-NRFANRHFSA-N 388.471 3.552 70 50 GHIA CC1=NC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=S)O1 109178359 BQOGAPKQAIRAQC-UHFFFAOYSA-N 375.433 3.886 70 50 GHIA CC(C)Cn1c(=O)c([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2ccccc21 217698461 VFUPMCWGVGXUCE-HNNXBMFYSA-N 391.423 3.827 70 50 GHIA biogenic COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)c2ccccc2oc1=O 217805487 WNBGBYCXCGEEGZ-INIZCTEOSA-N 375.380 3.742 70 50 GHIA biogenic O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCOC2(CCCC2)C1 160188596 CUOMYNFNOKXLMR-QGZVFWFLSA-N 382.460 3.861 70 50 GHIA COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)c2ccccc2oc1=O 217805413 WNBGBYCXCGEEGZ-MRXNPFEDSA-N 375.380 3.742 70 50 GHIA biogenic O=C(CSc1nccc2ccccc12)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 159443630 XXCXQOWFGQXGLU-GOSISDBHSA-N 397.544 3.624 70 50 GHIA COc1ccc(CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)cc1 218155487 FDFNWTZAFPCTLU-UHFFFAOYSA-N 389.459 3.651 70 50 GHIA CC[C@H](C)[C@H](NC(=O)c1sc2nc[nH]c(=O)c2c1C)c1nc2ccccc2[nH]1 218235669 YPZMFXYCFBCLAC-BONVTDFDSA-N 395.488 3.687 70 50 GHIA COC(=O)c1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1 217691174 KIROKGRUQMHADC-OAHLLOKOSA-N 380.396 3.658 70 50 GHIA biogenic Oc1c([C@H](c2cccc(OC(F)F)c2)N2CCCCC2)sc2ncnn12 218548651 KANPBVYJQGTGRQ-ZDUSSCGKSA-N 380.420 3.673 70 50 GHIA Cc1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1 161405237 MQBWUCPUKUEMBH-KRWDZBQOSA-N 393.878 3.509 70 50 GHIA Cc1ccc(C2CCN(C(=O)Nc3ccc(OS(=O)(=O)F)cc3)CC2)cc1 1875382954 YXXPHKNWHHAOAL-UHFFFAOYSA-N 392.452 4.000 70 50 GHIA Cn1nc(-c2cccs2)cc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 218767073 UGBXLUFHELJOQZ-KRWDZBQOSA-N 377.473 3.516 70 50 GHIA COCCn1c([C@H](C)NC(=O)CCc2ccc(OC)cc2)nc2ccccc21 218355267 IHWMQYRJNNTFKO-INIZCTEOSA-N 381.476 3.501 70 50 GHIA CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1c1nncn1C 159926860 XPYASOGJJVGKLP-CYBMUJFWSA-N 383.374 3.602 70 50 GHIA Cc1ccc(Cc2nc(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cs2)cc1 160712426 UOQREQWFRKQKCB-OXJNMPFZSA-N 388.558 3.827 70 50 GHIA CCN(CC)Cc1cc(C(=O)N(C)Cc2nnc(C)o2)c(-c2ccccc2)o1 217484674 XBBQXIICZFBHBQ-UHFFFAOYSA-N 382.464 3.752 70 50 GHIA CC[C@H](C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 218425469 IAOXKAUAHUDBFP-VIZZQPHQSA-N 376.460 3.641 70 50 GHIA CSCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Oc2ccccc2)cc1 218265402 RWEFYBXQPNFNAC-INIZCTEOSA-N 397.500 3.713 70 50 GHIA COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc2c1OCO2 217652911 DBHUMPCIHYZILQ-CYBMUJFWSA-N 396.395 3.609 70 50 GHIA biogenic CCCN(C)C[C@H]1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 160811036 NEKGXVSUYUUCLI-LJQANCHMSA-N 383.540 3.993 70 50 GHIA COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](O)C1 218659101 KWBVVUMSVRKDRX-GHTZIAJQSA-N 385.479 3.957 70 50 GHIA CC(C)[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2[nH]1 218597395 UTLBCBHVQFJQRY-SFHVURJKSA-N 379.489 3.866 70 50 GHIA Cc1ccc(Cc2nc(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cs2)cc1 160712699 UOQREQWFRKQKCB-JXFKEZNVSA-N 388.558 3.827 70 50 GHIA COC[C@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccco1 160984198 GUVUMPFFQUZROM-HNNXBMFYSA-N 394.353 3.993 70 50 GHIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2ccccc2c1 218561611 VBNSXUKMAAJWPE-NHCUHLMSSA-N 380.444 3.549 70 50 GHIA COC(=O)C[C@@H]1c2cc3c(cc2Oc2nc4ccc(OC)cc4cc21)OCO3 217735471 AFMLVZMOFRXOIL-CYBMUJFWSA-N 379.368 3.773 70 50 GHIA biogenic CSCC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2n1C 218212293 DKMPIUIZSFZQLH-KRWDZBQOSA-N 397.548 3.790 70 50 GHIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCc2c(Cl)cc(Cl)cc2C1 159694295 RGTSTFJZOZVVGX-LBPRGKRZSA-N 395.290 3.817 70 50 GHIA O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@H]1C1CC1 161288177 OEIBQBXCSPYPON-KRWDZBQOSA-N 392.908 3.555 70 50 GHIA COc1cn(CC(=O)Nc2cccc3c2ccn3CCC(C)C)c(C)cc1=O 218392636 YTQCSBNYASLSAS-UHFFFAOYSA-N 381.476 3.805 70 50 GHIA Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OS(=O)(=O)F 1875368286 HBCANFAAKFGXGY-UHFFFAOYSA-N 377.315 3.859 70 50 GHIA FCC1=NC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=S)O1 334157716 DAXSURQRTVOXDW-UHFFFAOYSA-N 393.423 3.836 70 50 GHIA Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 169744639 MCWRJHQUCNGKGK-UHFFFAOYSA-N 391.196 3.620 70 50 GHIA CC(C)[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nc2ccccc2n1C 218159695 WZJAGKDOHMMGMB-QFIPXVFZSA-N 377.488 3.954 70 50 GHIA COCCn1cc(CC(=O)NCCn2ccc3ccccc32)c2ccccc21 218066570 GIGHVGLXTZEHAA-UHFFFAOYSA-N 375.472 3.601 70 50 GHIA biogenic CCOC(=O)Cc1csc(NC(=O)CCCc2cn(C)c3ccccc23)n1 218149640 HXNHZRZGXDHKIM-UHFFFAOYSA-N 385.489 3.702 70 50 GHIA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CC[C@@H]2CNC[C@@H]21 216956584 QGTJYRWJNBHVBE-XLIONFOSSA-N 376.456 3.754 70 50 GHIA Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCCC3)c(O)n2n1 218443052 XRFHWNXWHNMECM-CYBMUJFWSA-N 380.420 3.591 70 50 GHIA COC(=O)c1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)sc1C 218153083 WHIMKPAXUCVRND-UHFFFAOYSA-N 376.825 3.534 70 50 GHIA CC(=O)c1ccc2c(c1O)[C@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2 218164695 NFLIRBJNZKUYCX-INIZCTEOSA-N 376.368 3.618 70 50 GHIA O=C(c1cnc2ccccc2c1O)N1CCC(O)(c2ccc(Cl)cc2)CC1 218319512 ISYSILFOFXSWDR-UHFFFAOYSA-N 382.847 3.718 70 50 GHIA COC(=O)C[C@H]1c2cc3c(cc2Oc2nc4ccc(OC)cc4cc21)OCO3 217735392 AFMLVZMOFRXOIL-ZDUSSCGKSA-N 379.368 3.773 70 50 GHIA biogenic Cc1cc(Oc2ccc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)cc2)n[nH]1 159498265 CRQANTHCDLCQIS-AWEZNQCLSA-N 378.432 3.658 70 50 GHIA O=C(C[C@H](c1cc2c(cc1O)OCO2)c1cccnc1Cl)N1CCCCC1 218600607 RKQNKUBEUXOPLW-AWEZNQCLSA-N 388.851 3.704 70 50 GHIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(c1)nc(C)n3-c1ccccc1)C2 217588158 FSTGEHJKPMILQQ-OEWRPIJISA-N 375.472 3.831 70 50 GHIA O=C(CN1C(=O)c2ccccc2Sc2ncccc21)Nc1cccnc1Cl 218207000 BPRROWGODIDHRM-UHFFFAOYSA-N 396.859 3.880 70 50 GHIA Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCCCC3)c(O)n2n1 218492811 DMINFUAFIXPXTQ-CQSZACIVSA-N 394.447 3.982 70 50 GHIA Cc1cc(-c2cc(C(=O)N3CC[C@@H](N)C3)c3cnn(C(C)C)c3n2)c(C)s1 160244722 LNHYFQWUGPAIMC-CQSZACIVSA-N 383.521 3.531 70 50 GHIA O=P(Cc1ccccc1OS(=O)(=O)F)(c1ccccc1)c1ccccc1 1875378704 CEBIXDVLVRUPNS-UHFFFAOYSA-N 390.372 3.794 70 50 GHIA COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]n2)cc1OC 217991579 YAFMTIUQVGGNPB-IBGZPJMESA-N 392.459 3.856 70 50 GHIA biogenic CC(C)c1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)nn1-c1ccccc1 217774261 DSPRTHWEBLWIDE-GHTZIAJQSA-N 380.536 3.990 70 50 GHIA biogenic Cc1nnc(CN(C)C(=O)c2cccnc2SC/C=C/c2ccccc2)o1 217134040 GHBQDKUACQWMQV-JXMROGBWSA-N 380.473 3.851 70 50 GHIA CN(c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1)S(C)(=O)=O 161450852 MMGZBIQWVYCOLA-UHFFFAOYSA-N 388.420 3.734 70 50 GHIA COc1cc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)ccc1F 218738652 UOUASPSTUZBXLZ-QFIPXVFZSA-N 381.451 3.518 70 50 GHIA COc1ccc(OC)c2[nH]c(C(=O)NCCn3ccc4ccc(F)cc43)cc12 218309045 XKFMDZYERXDGGE-UHFFFAOYSA-N 381.407 3.709 70 50 GHIA