smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 838163 UZIWTJQQUOTHMG-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB biogenic NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2561042 QAMMIGULQSIRCD-IRXDYDNUSA-N 385.420 0.190 0 40 GCAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 5321936 QEFZEHOTXKXFHS-BZNIZROVSA-N 379.388 0.520 0 40 GCAB O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 8670108 CNMCFXDTJZNDME-MZXFEWSRSA-N 390.421 0.023 0 40 GCAB Cn1c(=O)c2c(ncn2C[C@H](O)CO[C@@H]2CCCc3ccccc32)n(C)c1=O 12580396 CVXKXDSVUNURPG-GOEBONIOSA-N 384.436 0.889 0 40 GCAB Cc1c([C@@H](C)NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cnn1C 25000437 BZPBUZJSUQBFLD-LLVKDONJSA-N 375.454 0.987 0 40 GCAB COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 36353943 BHZMIYIEAQPJAK-UHFFFAOYSA-N 399.382 0.818 0 40 GCAB COc1ccc(-c2nnsc2C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 36354927 RFFOLEFCEIOQRN-UHFFFAOYSA-N 382.467 0.931 0 40 GCAB Cc1noc(C)c1CN1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1 38681357 ICUYPKUFSRLDQU-UHFFFAOYSA-N 398.485 0.278 0 40 GCAB COC(=O)c1ccc(OC[C@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 42757336 YRZKPYFIMTXYKM-CYBMUJFWSA-N 397.387 0.722 0 40 GCAB CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 57327848 IVMIBAFZHNOINQ-CQSZACIVSA-N 395.481 0.684 0 40 GCAB O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1ccco1 77100256 UJPHRGISGHOGSE-UHFFFAOYSA-N 398.379 0.133 0 40 GCAB COc1ccnc(N2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)n1 95999459 CHIQJOCASWQKPX-MRXNPFEDSA-N 375.473 0.777 0 40 GCAB Nc1nc(N)c2c(n1)OC1(CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC1)C2 257270566 MUTCTVFZRKCXLQ-UHFFFAOYSA-N 399.407 0.714 0 40 GCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 575406557 YAEROBXTXDGXNP-OIISXLGYSA-N 377.485 0.888 0 40 GCAB CN1CCC[C@]2(CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)C1 578971602 UXYLULJBQKYMDA-KRWDZBQOSA-N 381.502 0.487 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(N)nc2)CCO1 585282966 KWDHMXQYZRYYHL-IBGZPJMESA-N 388.399 0.969 0 40 GCAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)nn1 1888890553 MIWOHDNWXIKMKL-UHFFFAOYSA-N 389.481 0.996 0 40 GCAB CS(=O)(=O)c1cccnc1N1CCN(c2cc(-n3cccn3)ncn2)CC1 1889151950 VJZYMTRHAGDZDG-UHFFFAOYSA-N 385.453 0.787 0 40 GCAB CCOc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 785646 OQAFJFSKJAKYQF-UHFFFAOYSA-N 383.470 0.575 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)COc1ccccc1 828766 WZZZFYKZFBQDSA-AWEZNQCLSA-N 399.451 0.854 0 40 GCAB C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 838158 HCETUUQAAQKNCV-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB biogenic CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 4357379 UFUKRTPRCHAYGL-CQSZACIVSA-N 387.433 0.205 0 40 GCAB CCOC(=O)CC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 6915268 XHICXWIJUWCDQQ-UHFFFAOYSA-N 376.413 0.605 0 40 GCAB COC(=O)c1nnn(CC(=O)NC(=O)Nc2ccc(F)cc2)c1C(=O)OC 8592154 RRINXGCMCMQGNU-UHFFFAOYSA-N 379.304 0.339 0 40 GCAB CC(=O)Nc1cccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)c1 9827642 ZYAOQZQLOLSFCX-UHFFFAOYSA-N 377.426 0.550 0 40 GCAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 12647676 KZKPIDPHLRCOEI-UHFFFAOYSA-N 395.437 0.842 0 40 GCAB O=C(CN1CCC(NC(=O)CN2CSCC2=O)CC1)Nc1ccccc1 12775843 DAADNPBDSGRHJO-UHFFFAOYSA-N 376.482 0.739 0 40 GCAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)no1 13690971 PWVILTBFTHXDDS-UHFFFAOYSA-N 395.441 0.400 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC[C@H]1CCCO1 20769010 LVLMIHHRZVMYOM-OAHLLOKOSA-N 395.481 0.383 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCCCC1 22228549 RNVATIMYASWFRA-UHFFFAOYSA-N 395.481 0.336 0 40 GCAB Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)cc1S(N)(=O)=O 23262148 NGVCNZUIMOJVIM-UHFFFAOYSA-N 395.393 0.147 0 40 GCAB Cn1cc(C(=O)NC2CCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cn1 44811207 XYKJQZLMZQBPBA-HNNXBMFYSA-N 397.483 0.848 0 40 GCAB O=C(CCNC(=O)c1cc(-c2cccnc2)on1)N[C@H]1CCS(=O)(=O)C1 48251410 DLGMJKLXQOBGTN-LBPRGKRZSA-N 378.410 0.160 0 40 GCAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC1 72297604 YBIFRMUHSXVJMY-GXTWGEPZSA-N 391.497 0.932 0 40 GCAB CCN(CC)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 89969019 YCMBUIQQWSYDED-UHFFFAOYSA-N 377.488 0.244 0 40 GCAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1cccc2nonc12 95420573 PIXTVZOJSFIWOH-UHFFFAOYSA-N 393.425 0.756 0 40 GCAB O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(C(=O)[C@H]3CCOC3)CC2)O1 96243630 BYKCFCQIORGIMW-JKSUJKDBSA-N 388.468 0.662 0 40 GCAB CCOC(=O)[C@@H]1SC(SCC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)=NC1=O 103008029 PDBMCOYVXIEXOH-JMJZKYOTSA-N 390.483 0.985 0 40 GCAB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)Nc1cccc(CN2CCOCC2)c1 108088909 JNJHHOIYYYLLPH-PSBWJHGTSA-N 399.447 0.620 0 40 GCAB O=S1(=O)CC[C@H](N(C[C@H](O)CO)S(=O)(=O)c2ccc3ccccc3c2)C1 575424206 TXBNUMLTOLJWMH-HOTGVXAUSA-N 399.490 0.371 0 40 GCAB Cc1noc([C@@H]2CNC(=O)[C@H]3CCN(C(=O)CCc4cncnc4)CC[C@H]32)n1 585109074 SKDWXBLBCLOERW-OWCLPIDISA-N 384.440 0.869 0 40 GCAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cnccn2)C1 585112381 OMKLCQYXRCLXCE-CYBMUJFWSA-N 378.458 0.590 0 40 GCAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2CCC(CO)(CO)C2)c1 595800009 PAJUOHKDPOQETQ-LBPRGKRZSA-N 394.424 0.264 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3cnc(C(F)(F)F)nc3)C[C@@H]12 661468118 MXGGSSQBKRRLRF-AXFHLTTASA-N 394.375 0.449 0 40 GCAB Cc1nnc(N2CC(NC(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)s1 1888904282 ZMTYTZBDATYDSR-LLVKDONJSA-N 378.483 0.754 0 40 GCAB COCCN1CCOC[C@@]2(C1)CN(S(=O)(=O)c1sccc1C)CCO2 2055816099 ZYSXRZDUUXAQAS-MRXNPFEDSA-N 390.527 0.795 0 40 GCAB Cc1cc(C)cc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4303897 MEQOYGAZJRFNBS-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB COc1ccc(CCNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 11036761 ZVAMWIHJDHEUDN-UHFFFAOYSA-N 392.433 0.858 0 40 GCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 11859330 QNGGSKWEZCQIQP-UHFFFAOYSA-N 395.462 0.935 0 40 GCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2F)CC1 16849969 VANKDNRWJXYUAK-UHFFFAOYSA-N 383.445 0.817 0 40 GCAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC(C)C 30096263 YKWFVKOHNBQSHX-UHFFFAOYSA-N 385.486 0.444 0 40 GCAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCCCN4CCOCC4)n3)c2n1 31808810 SCWNIPCKAVUXRP-UHFFFAOYSA-N 385.428 0.848 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 32072037 FZVXJGSPKJOOCD-AWEZNQCLSA-N 399.900 0.792 0 40 GCAB COc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc2c1OCCO2 35325274 GCMZSQIFJLHHQS-UHFFFAOYSA-N 375.425 0.503 0 40 GCAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 35898139 YKWGOEPMXPEGRS-RFGFWPKPSA-N 386.364 0.652 0 40 GCAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 45134016 HJWQGNKCQROOEN-JKSUJKDBSA-N 393.513 0.024 0 40 GCAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCn1nc(-n2cccn2)ccc1=O 77196886 VLNDBGZPIQGGRP-UGSOOPFHSA-N 381.392 0.774 0 40 GCAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)NCCc1c[nH]c3ccccc13)C(=O)N2 101479703 NNNTZGKJXRWOLV-CYBMUJFWSA-N 395.419 0.350 0 40 GCAB CCn1cccc1-c1noc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1 225768844 HUQHNVCTXCLSHT-UHFFFAOYSA-N 381.458 0.846 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@@H]1C(N)=O 257294088 QSJGXTMHQMFXIL-CYBMUJFWSA-N 397.357 0.600 0 40 GCAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCCN2CCOCC2)C1 585286146 WJGASNFMKSJPHO-PKOBYXMFSA-N 397.903 0.200 0 40 GCAB O=C1NCCN(S(=O)(=O)c2cnn3c2OCCC3)[C@@H]1c1ccccc1F 668184242 UHHRAFJOPZAVMY-CQSZACIVSA-N 380.401 0.667 0 40 GCAB NS(=O)(=O)c1ccc(OCC(=O)N[C@H]2COc3ccc(F)cc3C2)cc1 685868319 XESHFYGXDCOUTB-CYBMUJFWSA-N 380.397 0.972 0 40 GCAB COc1ccc(C(=O)NCCS(=O)(=O)N2CCC3(CC2)OCCO3)cc1 4940948 COPJBBWRWMEYLP-UHFFFAOYSA-N 384.454 0.594 0 40 GCAB Cc1cnc2c(c1SCC(=O)N1C[C@@H](C)O[C@H](C)C1)c(=O)n(C)c(=O)n2C 4942052 LDNZIKMGEPCHFB-VXGBXAGGSA-N 392.481 0.669 0 40 GCAB NC(=O)Cn1c(=O)n(CCC(=O)NCc2cccs2)c(=O)c2sccc21 6755292 AXJVPBPFOKVIKA-UHFFFAOYSA-N 392.462 0.478 0 40 GCAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 7986678 YZBGOXXNIKNQTJ-UONOGXRCSA-N 394.449 0.194 0 40 GCAB CC(=O)N1CCC(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 8427736 IPTREZFNIBAYEV-UHFFFAOYSA-N 399.451 0.388 0 40 GCAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 8749191 AYSNPYFGIYRZIT-MRXNPFEDSA-N 390.484 0.499 0 40 GCAB Cc1nc(N2CCC(NC(=O)CCN3C(=O)CSC3=O)CC2)[nH]c(=O)c1C 19555191 QSZVVDCFOMYGQA-UHFFFAOYSA-N 393.469 0.557 0 40 GCAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21976507 NFMICXAUKWYUJO-DGCLKSJQSA-N 386.408 0.329 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2nc3nc(C)cc(C)n3n2)NC(=O)N[C@H]1C 22862257 FRTDUCNJBXVGOL-JTQLQIEISA-N 388.384 0.416 0 40 GCAB COC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 40268426 RXYQYKKXJHKBEO-ZDUSSCGKSA-N 392.441 0.320 0 40 GCAB CN(C)[C@@H](CNC(=O)c1nc(CC(=O)N2CCOCC2)no1)c1ccccc1 44893937 XYXDOPFGAJEVQH-HNNXBMFYSA-N 387.440 0.504 0 40 GCAB COC(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)n1 51565743 BMDIZLJVVOIGHK-UHFFFAOYSA-N 385.380 0.164 0 40 GCAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 84370676 QNVSCAAQDDFNIB-KBPBESRZSA-N 387.889 0.984 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 97019982 GNCUWUYIWLVSHY-HNNXBMFYSA-N 395.481 0.866 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C(=O)N1Cc1cccnc1 225382456 WYGPRTUIGMCWFF-MOPGFXCFSA-N 392.459 0.640 0 40 GCAB biogenic,in-vitro Cc1nnc2c(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nccn12 238959419 YHLCFUWZZCOLAH-UHFFFAOYSA-N 389.423 0.976 0 40 GCAB CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 575421075 HNFZVNVHSITITM-GHMZBOCLSA-N 384.273 0.228 0 40 GCAB CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1Cl 576491059 MNCSVWVKLGLZID-INIZCTEOSA-N 392.887 0.892 0 40 GCAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OC)co1)[C@H](C(N)=O)C2 604405286 QMJXNUCWRDKVJP-LBPRGKRZSA-N 388.376 0.718 0 40 GCAB biogenic O=C(O)CN1CCCC[C@H](N2CCN(Cc3cn4ccccc4n3)CC2)C1=O 643873837 IAZNIMNAANOJGM-KRWDZBQOSA-N 385.468 0.918 0 40 GCAB C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CS1(=O)=O 664978343 XUWWAFCUMUMOAM-UPJWGTAASA-N 386.495 0.822 0 40 GCAB COCCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)[C@H]2CCOC2)C1 1565555643 FHWLQWIVTKOSJB-IFXJQAMLSA-N 391.472 0.246 0 40 GCAB Cc1cn2nc(OCC3CCN(S(=O)(=O)N4CCOCC4)CC3)ccc2n1 1888892693 BVJZNIBBFVDAQO-UHFFFAOYSA-N 395.485 0.706 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCCO)cc1 4554142 AYJSRCSBWWLJET-HNNXBMFYSA-N 397.497 0.153 0 40 GCAB CC(=O)Nc1ccc(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)cn1 5856834 UUBFNFFHSLNZAI-JTNHKYCSSA-N 378.410 0.285 0 40 GCAB CCOC(=O)c1c(NC(=O)COC(=O)CCNC(N)=O)sc2c1CCC2 5938702 FKGCKZSIMPUNSW-UHFFFAOYSA-N 383.426 0.954 0 40 GCAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1nnnn1Cc1ccco1)CC2 12113745 BXQIWQASBZCNFZ-UHFFFAOYSA-N 382.428 0.556 0 40 GCAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)CN3CCCC3=O)CC2)n1 12142950 IQIWVXDSBQYOMP-UHFFFAOYSA-N 387.484 0.950 0 40 GCAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CNC(C)=O)C3)c2N)cc1 19021246 FGSRGJUBAQEWCK-CYBMUJFWSA-N 385.424 0.630 0 40 GCAB C[C@@H](Cn1nnn(-c2ccco2)c1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 19574206 ZTJIMJNPHZHOEZ-NSHDSACASA-N 395.379 0.006 0 40 GCAB COc1ccc(OC)c(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 38719055 WNGDTPZRJNTJPB-UHFFFAOYSA-N 393.421 0.606 0 40 GCAB COC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)C(C)C 40268161 OJPJYXOSEGGKDH-AWEZNQCLSA-N 386.408 0.903 0 40 GCAB CCn1cnnc1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 48235818 RBJLCBXTCMRRPS-UHFFFAOYSA-N 375.410 0.535 0 40 GCAB CC(C)n1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 52939064 FNBNHKGLSSUFDK-UHFFFAOYSA-N 378.454 0.695 0 40 GCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCn2cccn2)c1 57279427 HRPNWLXJGNPUJB-UHFFFAOYSA-N 377.430 0.544 0 40 GCAB NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1Cl 79099915 DRIRRRYROSRSEZ-UHFFFAOYSA-N 384.639 0.966 0 40 GCAB Cn1cnc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96104450 SPLQCQTYROIPTN-UHFFFAOYSA-N 375.859 0.920 0 40 GCAB COc1ccc(CN2CC3(C2)C(=O)N(C)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 225439959 JYSWAZHOWAMRAD-QAPCUYQASA-N 395.459 0.837 0 40 GCAB biogenic,in-vitro COc1nccnc1O[C@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 225493352 FAEAQOKTWQJLHK-AWEZNQCLSA-N 398.485 0.527 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc32)CCO1 262953140 OYYOLIJKBLYAIL-GOEBONIOSA-N 396.465 0.290 0 40 GCAB COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408610768 VRVUTVLJESVTFH-ZIAGYGMSSA-N 386.470 0.626 0 40 GCAB CN(C)C(=O)N1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 562318295 LVEFRLCSWLTIAK-UHFFFAOYSA-N 376.461 0.427 0 40 GCAB COc1nn(C)cc1C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147593 AOFRRFAHFFQLNZ-UHFFFAOYSA-N 391.453 0.892 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncnc5[nH]cnc45)C3)n2)n1 585605520 IRIHCBTZOBBYNM-UHFFFAOYSA-N 377.412 0.849 0 40 GCAB Cc1cc2c(N3CCN([C@H]4CCN(CC(=O)O)C4=O)CC3)ncnc2s1 662210568 HXABHECMRTUCFX-ZDUSSCGKSA-N 375.454 0.807 0 40 GCAB CC(C)n1nc(COCC(=O)N(C)C)c2c1CN(C(=O)C1CC(O)C1)CC2 1565553984 NVRQFYJTXRJENY-UHFFFAOYSA-N 378.473 0.724 0 40 GCAB COc1ccc(CN2C[C@@H]3C[C@H](NC(C)=O)CN3C(=O)[C@@H]2CNC(C)=O)cc1 2332242002 JQNINCKTWFDINU-LNLFQRSKSA-N 388.468 0.121 0 40 GCAB Cc1ccc(C)c(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)c1 5256951 RREAEDNUFNZGEI-UHFFFAOYSA-N 377.426 0.717 0 40 GCAB COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1S(=O)(=O)N1CCOCC1 6174560 ZRXNWWJMOYFDHX-CYBMUJFWSA-N 385.394 0.188 0 40 GCAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 8298011 QXHDDMPYFPQNBI-ZACQAIPSSA-N 391.516 0.903 0 40 GCAB biogenic,in-vitro CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCCNC(C)=O)nn1 8299097 DTXWRQAEWJXMGT-JQHSSLGASA-N 376.505 0.583 0 40 GCAB biogenic,in-vitro C/C(Cl)=C/Cn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C 12436835 YUKOAMWLFZQMQC-JYOAFUTRSA-N 399.904 0.990 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N(C)Cc2ccccc2)[C@H](O)[C@@H]1O 12603590 YGQKPGLFAFIPKD-CIRFHOKZSA-N 379.457 0.232 0 40 GCAB biogenic,in-vitro Cc1c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)sc2ncn(C)c(=O)c12 12784385 WKWBSFZRVXFSBV-UHFFFAOYSA-N 376.394 0.058 0 40 GCAB CC(C)NC(=O)CN(C)CCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 12855437 PGSMZWYRTSAVSL-UHFFFAOYSA-N 378.429 0.952 0 40 GCAB C[C@@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 13512511 AVIZFVWZAZAQCF-JTQLQIEISA-N 377.832 0.928 0 40 GCAB CCCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13729904 OJKBFCFWFCREJH-UHFFFAOYSA-N 397.439 0.824 0 40 GCAB Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc([C@@H]2CCCN2)n1 19698001 PHGGUNMMQJKXJT-KRWDZBQOSA-N 395.529 0.514 0 40 GCAB CCN(CC)S(=O)(=O)N1CCc2nc([C@@H]3CCCNC3)nc(NC)c2C1 19711442 OOVPGHJLOUBHCY-CYBMUJFWSA-N 382.534 0.930 0 40 GCAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1nnc2ccccn12 22086781 SJGFCBKHAUCWTH-UHFFFAOYSA-N 378.392 0.482 0 40 GCAB Cc1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 22939874 VGWVGMKDVHJSAV-UHFFFAOYSA-N 396.495 0.538 0 40 GCAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)COc3ccccc3)c2)CCN1 32915614 ITAQPUNLGVVHKH-UHFFFAOYSA-N 389.433 0.825 0 40 GCAB O=C(CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1)NC1CC1 35326456 WGDXSUXWKDPJHF-UHFFFAOYSA-N 384.480 0.779 0 40 GCAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 43961405 QUFIFNJLEQCQRR-UHFFFAOYSA-N 377.488 0.774 0 40 GCAB COc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)cc1OC 49006568 CUBPERCSCNMHHC-UHFFFAOYSA-N 390.421 0.968 0 40 GCAB Cc1noc(C2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 49482434 KLCPJJNOHADANJ-UHFFFAOYSA-N 392.437 0.639 0 40 GCAB CN(C)c1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 60357887 NSNPOVNLMQYAOW-UHFFFAOYSA-N 388.449 0.803 0 40 GCAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96036905 JFXSGQBWYZJDAU-HNNXBMFYSA-N 396.513 0.934 0 40 GCAB CCn1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C(=O)NCCOC)n1 102052162 PJNFZMTTYSKUHV-IMIFBBOLSA-N 376.413 0.741 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1CCc1ccccc1 257216972 CWXRBMFWIOASIV-SFHVURJKSA-N 382.464 0.500 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 409287589 WYAXTVOEWSIHGZ-NPSOMJIGSA-N 375.333 0.541 0 40 GCAB CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 575423721 QUZZKAPYKVOOAS-VXGBXAGGSA-N 398.300 0.618 0 40 GCAB Cn1c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)cc2ccccc21 585091151 LUXHLBVKKQGCRD-UHFFFAOYSA-N 385.511 0.529 0 40 GCAB Cn1cnc(C(=O)N2C[C@@H]3C[C@@H](CC(=O)NCc4cccs4)O[C@@H]3C2)n1 585109328 JMBVCGYCSRYGCJ-SGMGOOAPSA-N 375.454 0.813 0 40 GCAB CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2nc(C)nc(N(C)C)n2)C1 1615612427 YFQOHUCRCNCDRC-WFASDCNBSA-N 377.493 0.954 0 40 GCAB CCn1cc(N2CCC[C@H](Nc3ncnc4c3ncn4C)C2)c(=O)n(CC)c1=O 2298218160 UEALSIRGRABNRL-ZDUSSCGKSA-N 398.471 0.807 0 40 GCAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(F)c(F)c3)n(C)c2n(C)c1=O 4571025 GSRKSNRMQORPIY-UHFFFAOYSA-N 395.391 0.980 0 40 GCAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)N[C@H]1CCS(=O)(=O)C1 5262214 VFXGGCLNPGESSO-LBPRGKRZSA-N 393.421 0.016 0 40 GCAB NC(=O)c1ccsc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 7779789 CTXYEXOTSRJHOU-UHFFFAOYSA-N 386.389 0.739 0 40 GCAB COCCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@@H]2CS(=O)(=O)C[C@H]21 9305976 QOXKWRHKQRJNHW-CHWSQXEVSA-N 384.479 0.677 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ncnc3c2cnn3C)CC1 12773792 XKJMQSWDLBMXGR-UHFFFAOYSA-N 391.457 0.869 0 40 GCAB Cn1nccc1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 12982974 OGCVIVBZQCIFPJ-UHFFFAOYSA-N 393.469 0.440 0 40 GCAB CN(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(F)c1 13004336 WNBWPDCCDUYTMI-MRXNPFEDSA-N 399.426 0.804 0 40 GCAB C[C@H](CN1CCOCC1)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C 19456250 QPJJGQAGRZSSDA-OAHLLOKOSA-N 387.484 0.548 0 40 GCAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1)C(=O)OC 32123972 LQASKYIBVYEDEW-BBRMVZONSA-N 387.396 0.567 0 40 GCAB biogenic NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 35315892 OTWDMYOGZTUUJX-UHFFFAOYSA-N 387.527 0.973 0 40 GCAB COCCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 58006127 DQQQEYCKOBFGTD-UHFFFAOYSA-N 397.453 0.383 0 40 GCAB CCC(CC)[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)N1CCOCC1 95401813 DWUMEKCLRKPXDV-HOTGVXAUSA-N 375.535 0.664 0 40 GCAB CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCCNc1ccccn1 95444228 LROMWXJLOMGAMK-UHFFFAOYSA-N 388.428 0.939 0 40 GCAB Cc1cc(NC(=O)COc2c[nH]c(C)cc2=O)n([C@@H]2CCS(=O)(=O)C2)n1 95475127 LMRXMJSFOHMIAW-GFCCVEGCSA-N 380.426 0.565 0 40 GCAB CN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CN(c2cnccn2)C1 1775970903 JFEITYFUJYFOPO-UHFFFAOYSA-N 375.454 0.688 0 40 GCAB C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1F 4829766 VKKQEJLISROVDF-SECBINFHSA-N 377.351 0.589 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(C)=O)CC2)cc1 8341431 MVRHKBGZMNFCBX-UHFFFAOYSA-N 383.470 0.444 0 40 GCAB COc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)c(OC)c1 9827632 MHJXVHZAFNWZLP-UHFFFAOYSA-N 380.426 0.609 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCC(=O)c1cccs1 10042357 KCAUKLFCKDRORM-UHFFFAOYSA-N 396.446 0.569 0 40 GCAB CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 14766422 YKDNCFTUUKOENT-GHYVTOPFSA-N 386.382 0.230 0 40 GCAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961025 VWNMWZVTAUNPAJ-LBPRGKRZSA-N 387.371 0.810 0 40 GCAB CCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 21179834 HPIUKEDIQGFLSG-UHFFFAOYSA-N 386.426 0.407 0 40 GCAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c1 22230050 NAOVEMCILXYZIH-INIZCTEOSA-N 381.498 0.931 0 40 GCAB CC(C)[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)N1CCOCC1 32802948 PHBYCLRNLNYTME-MRXNPFEDSA-N 384.502 0.490 0 40 GCAB Cc1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)nn1-c1ccc(F)cc1 35307718 WKGCLSUWDBAKRF-UHFFFAOYSA-N 386.431 0.751 0 40 GCAB CC(C)NC(=O)CN1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C(=O)N2)C1 72334326 CGNUGXISNBLDCN-FOIQADDNSA-N 388.468 0.092 0 40 GCAB COc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)n[nH]1 95480511 SADORNKBZJHRIT-UHFFFAOYSA-N 393.469 0.650 0 40 GCAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 96099611 KQMCUCZDJCXMSJ-UHFFFAOYSA-N 394.449 0.609 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cncnc3C)CC2)CC1 257257581 KQGHHEIRSQNCIY-HXUWFJFHSA-N 389.500 0.743 0 40 GCAB Cc1cc(C(=O)NC2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)O)CC2)c(C)o1 656008321 SFEKKEKJMLXJPA-SNVBAGLBSA-N 379.413 0.454 0 40 GCAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)Cn1ccnn1 1637559601 IREMDFIPCBYKNV-MAUKXSAKSA-N 398.467 0.620 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccsc2)CC1 2055745810 CRCXDXCYNGOHHO-UHFFFAOYSA-N 391.497 0.753 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)c1cccn1C 7782262 YJBJIHFQOZAPLC-OAHLLOKOSA-N 375.381 0.872 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(Cl)c1 13640109 DHVRIOIHHNCQHE-GJZGRUSLSA-N 392.843 0.820 0 40 GCAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22775806 RFAGFDWGNDQBQH-KGLIPLIRSA-N 376.482 0.789 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@H]2C[C@H](c3cnn(C)c3C)NS(=O)(=O)N2C)c1 72335070 PLTLZSUVCKJCSM-UKRRQHHQSA-N 393.469 0.961 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(Cc2nc(C(F)(F)F)cs2)CC1 89764701 KQVLIKGUXXGYML-UHFFFAOYSA-N 390.387 0.955 0 40 GCAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 96036794 JVXZCCBRKGAFHA-MRXNPFEDSA-N 398.467 0.976 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)c1 101076062 BVFUADBHAIXHTB-HNNXBMFYSA-N 389.408 0.139 0 40 GCAB Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 257295158 QXEZZBPGUKKPTR-YSHGAJCASA-N 386.452 0.432 0 40 GCAB CN(CC(=O)O)C[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 547699054 WRZUKRMXUPYGAG-MRXNPFEDSA-N 383.489 0.265 0 40 GCAB C[C@@H](NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)c1nc[nH]n1 583623142 UGGXCXGDHDLDOO-CHWSQXEVSA-N 394.439 0.880 0 40 GCAB CC(=O)OC[C@@]1(CC(=O)N2CCCC2)CCCN1C(=O)Cc1nonc1C 643587083 SUTYKYDWEOWRQT-SFHVURJKSA-N 378.429 0.857 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 12935697 BYKKTUDKYVORKB-CQSZACIVSA-N 396.513 0.866 0 40 GCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)Nc1ccc2c(c1)OCO2 13550375 OKVTYJHCDHCJFQ-UHFFFAOYSA-N 380.360 0.949 0 40 GCAB CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15329181 MANIEZWUBIKEFJ-UHFFFAOYSA-N 389.380 0.506 0 40 GCAB O=C(CCN1C(=O)N[C@H]2NC(=O)N[C@H]21)Nc1ccc(N2CCCC2)c(F)c1 19293101 UTFOIQZCOLWHKE-CABCVRRESA-N 376.392 0.745 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)c3sccc3S(=O)(=O)NC3CC3)CC2)N1 24464650 ROOJLLYTAOVXSM-UHFFFAOYSA-N 398.466 0.003 0 40 GCAB COc1ccc(C(=O)c2c(CN3CCCC3)n(C)c(=O)n(C)c2=O)cc1OC 31815980 QQZPNGCAGOMYCE-UHFFFAOYSA-N 387.436 0.928 0 40 GCAB CCCn1c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21 32771057 WWXCZMZJUOIPIZ-UHFFFAOYSA-N 394.497 0.753 0 40 GCAB Cc1cccc(CN2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c1 39978584 SPTQMPZSZQMFDY-UHFFFAOYSA-N 380.452 0.783 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 39998333 FZSJOQWOQMIMQP-NEPJUHHUSA-N 380.422 0.114 0 40 GCAB Cn1nnc(-c2ccc(NC(=O)C(=O)N[C@H](CO)Cc3ccccc3)cc2)n1 49544548 YTVAVKFMTSUVBX-INIZCTEOSA-N 380.408 0.535 0 40 GCAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)oc(=O)n2C 223337869 CVKOZYHHBWMKTO-UHFFFAOYSA-N 397.434 0.888 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCN(c2ccc3nncn3n2)C1 390830428 LBJSLAQLTSNGGM-ZDUSSCGKSA-N 381.396 0.931 0 40 GCAB COC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408610764 VRVUTVLJESVTFH-KBPBESRZSA-N 386.470 0.626 0 40 GCAB N=c1nc(O)c(C(c2ccc(Cl)cc2)c2c(O)nc(=N)[nH]c2O)c(O)[nH]1 408920002 GEPSIHPPXJEPMO-UHFFFAOYSA-N 376.760 0.748 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCCn1nc(C(F)(F)F)ccc1=O 1888951553 WQDAWTNSHONSFX-UHFFFAOYSA-N 393.325 0.788 0 40 GCAB COc1cnc(C(=O)N2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)nc1 2055732732 WFVKYRZJRGPNCC-SMDDNHRTSA-N 389.437 0.555 0 40 GCAB O=C(Cn1ccnn1)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771522 DZAOZQHNXGQXPJ-CQSZACIVSA-N 385.350 0.171 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2OC(F)F)n(C)c1=O 3550686 IGYKTGCKIPVDFZ-UHFFFAOYSA-N 379.323 0.674 0 40 GCAB CCn1c(SCC(=O)NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4161068 LSCFZECPTNMJHY-UHFFFAOYSA-N 387.465 0.862 0 40 GCAB CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 8654004 GIJANEIOBLBROJ-UHFFFAOYSA-N 398.423 0.323 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 8769407 SCSKOEAAGLKIDU-UHFFFAOYSA-N 383.426 0.409 0 40 GCAB Cc1csc(=O)n1CCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 11064319 NPPGJPJWFUQLBX-UHFFFAOYSA-N 380.470 0.979 0 40 GCAB CCn1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 12130471 OFQIRTYVDSPHRS-GJZGRUSLSA-N 381.458 0.700 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16025023 RNCNDEZJKDJMRW-MAUHSQPMSA-N 393.827 0.088 0 40 GCAB COCCNC(=O)[C@H](OC(=O)CN1C(=O)COc2ccccc21)c1cccnc1 35315690 KBHWPFAMWVSGEA-LJQANCHMSA-N 399.403 0.854 0 40 GCAB Cc1nnc(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)s1 36359692 ZLKZEYUFVUSWKN-LBPRGKRZSA-N 395.466 0.364 0 40 GCAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(C=O)CC1)cn2CC(=O)O 36365755 FOJQTDAWKWJSFZ-QGZVFWFLSA-N 375.381 0.634 0 40 GCAB CCOc1cccc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58342091 PNOQKDURKDVJFT-KRWDZBQOSA-N 375.469 0.882 0 40 GCAB CS(=O)(=O)c1cc(N)c2c(S(C)(=O)=O)cc(S(=O)(=O)O)cc2c1 71404896 CLBPYMIBGIBGDN-UHFFFAOYSA-N 379.437 0.476 0 40 GCAB Cn1nc(C(=O)N2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)ccc1=O 77100545 QENNNIYFUMJLNV-AWEZNQCLSA-N 394.435 0.685 0 40 GCAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 95475762 LOCCVQZFPLNAFB-KGLIPLIRSA-N 379.438 0.047 0 40 GCAB Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124259 INAUNNJTFRZXDU-UHFFFAOYSA-N 382.428 0.944 0 40 GCAB CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cnc(C)cn1)Cn1ccnc12 96243845 TXCGTEWOJKATPR-MRXNPFEDSA-N 398.467 0.924 0 40 GCAB CCN1Cc2c(C(=O)N[C@H]3CCN(C)C3)ncn2-c2ccccc2S1(=O)=O 96266131 VKFZJPBYDYYONB-ZDUSSCGKSA-N 389.481 0.830 0 40 GCAB COC(=O)C(C(=O)OC)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 101446755 MQKIUSNYAGLHMZ-GVXSFWRPSA-N 385.210 0.577 0 40 GCAB Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)ccc1Cl 257208241 BLHKTBNPPVRXMD-GPMSIDNRSA-N 395.887 0.809 0 40 GCAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNC(C)C)[C@@H](O)[C@H]3O2)cc1 604381089 DGBKRLBTMMSWFL-PNDFQMOFSA-N 378.469 0.985 0 40 GCAB biogenic,in-vitro CCN1CCN(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)C(=O)C1=O 618255730 XBIXKWZUXAXEOF-FQEVSTJZSA-N 389.452 0.701 0 40 GCAB Cc1cc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nc(N(C)C)n1 2086887062 VGKLHSOMZNRVGI-HOTGVXAUSA-N 376.505 0.609 0 40 GCAB COc1ccc(CCn2c(N3N=C(C)CC3=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 5461773 XYTCCUMXWCXTDH-UHFFFAOYSA-N 396.407 0.787 0 40 GCAB COc1ccc(NC(=O)c2cnccn2)cc1S(=O)(=O)N1CCOCC1 5517138 HSXPXTCZHCHMME-UHFFFAOYSA-N 378.410 0.758 0 40 GCAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 7346140 KUNRRMDZKPUPAV-ZDUSSCGKSA-N 396.494 0.210 0 40 GCAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8193915 BHOKUKFMHJTCFU-QGZVFWFLSA-N 393.509 0.692 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nccnc3N)CC2)cc1 12816486 LDGFZVNUWLYBNH-UHFFFAOYSA-N 377.426 0.214 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 16682936 DSYIYRXOQCJKBW-UHFFFAOYSA-N 399.469 0.860 0 40 GCAB COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)Nc1ccccc1 20465313 NBVJFRFUBZDJOJ-DFBDCSAJSA-N 379.457 0.408 0 40 GCAB biogenic,in-vitro CN1CCN(CCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 22581935 SVNVOBXSTVRRPU-OAHLLOKOSA-N 395.301 0.918 0 40 GCAB C[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 28681299 BDRYJKCDZWWRFL-UPJWGTAASA-N 392.408 0.713 0 40 GCAB COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 29218683 UQQATUMDIAYWMP-UHFFFAOYSA-N 383.470 0.246 0 40 GCAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35898138 YKWGOEPMXPEGRS-RQJABVFESA-N 386.364 0.652 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)Nc1cccs1 38488568 JUDRMEFHFNQHQM-UHFFFAOYSA-N 396.498 0.812 0 40 GCAB Cn1ccnc1[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 39539214 UAZIGFHNQSYENK-MRXNPFEDSA-N 377.408 0.769 0 40 GCAB Cc1cc2ccccc2n1CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 48280335 XSFUJLLATQBHSY-UHFFFAOYSA-N 396.447 0.770 0 40 GCAB COCCN(C(=O)/C=C/c1cscn1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 50288594 ZQROLNYSKLMVQV-SNAWJCMRSA-N 393.469 0.924 0 40 GCAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ncn[nH]2)cc1 226044293 IZPFPCIZYYSCJE-UHFFFAOYSA-N 399.498 0.732 0 40 GCAB Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)CN3CCOCC3)CCO2)ccn1 257222214 DSKPBKGSNJKXGA-INIZCTEOSA-N 384.440 0.353 0 40 GCAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccc2c1OCCO2 575614910 AFTOTUBIMJTAAC-AWEZNQCLSA-N 380.466 0.839 0 40 GCAB CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)N2CCCC2)CC3)C1=O 2055796102 VYPPWXKCCBKBGQ-GOSISDBHSA-N 398.529 0.408 0 40 GCAB CCOC(=O)CN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148095 ZWXUTWKUOMYIKE-UHFFFAOYSA-N 396.407 0.221 0 40 GCAB COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)c2nccn2C)c1OC 6467720 MWAYXULAVARHBM-UHFFFAOYSA-N 395.437 0.689 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024993 MTKXBMRFJIAMQO-PRKYJLDLSA-N 388.399 0.220 0 40 GCAB COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19593171 BFFFLBGCJCNNMB-AWEZNQCLSA-N 398.485 0.178 0 40 GCAB O=C1C(=O)N(CN2CCN(c3ncccn3)CC2)C(=O)N1Cc1ccccc1 23382350 WELUMCCVZYSXCR-UHFFFAOYSA-N 380.408 0.547 0 40 GCAB CNC(=O)CN1CCC(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 28422410 MFVOFWNPXDOHNI-UHFFFAOYSA-N 390.484 0.982 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 31810612 GIQJVMQFTGKJLX-LBPRGKRZSA-N 392.437 0.411 0 40 GCAB COc1cc(NC(=O)C(=O)NCCN(C)C)ccc1N1CCCCS1(=O)=O 40267765 CREAMDNMMYIESF-UHFFFAOYSA-N 398.485 0.242 0 40 GCAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)N[C@H]3CCS(=O)(=O)C3)c12 48290737 BDGQPPSLVQXVPG-NSHDSACASA-N 392.437 0.442 0 40 GCAB NC(=O)Cn1ccc(NC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)n1 97164646 HDFSHJIPXAFEOX-UHFFFAOYSA-N 391.819 0.602 0 40 GCAB CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CC1 97637096 RYFIUBFXVRVMMK-HNNXBMFYSA-N 378.498 0.914 0 40 GCAB Cn1nc(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)ccc1=O 390830827 NSOMYKLMXGYGEI-HNNXBMFYSA-N 379.413 0.921 0 40 GCAB CNC(=O)NC[C@H]1CN(c2nc(N)c3cc(OC)c(OC)cc3n2)CCO1 528121429 MGTYUAUQOJHHLE-JTQLQIEISA-N 376.417 0.363 0 40 GCAB O=C(O)[C@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 579442095 DHCLYDWSYFBZGO-LSDHHAIUSA-N 382.438 0.406 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2)c1 629575918 PZWZSEPNXYMIDD-INIZCTEOSA-N 378.454 0.322 0 40 GCAB COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2cnc[nH]2)CCO3)CC1 2056226467 RXBWCMJYAMVNNM-LPHOPBHVSA-N 378.473 0.797 0 40 GCAB O=C(CN1CCC[C@H](NS(=O)(=O)C2CC2)C1)Nc1ccc2c(c1)OCCO2 2086881920 DJGVEBHZCISXHT-AWEZNQCLSA-N 395.481 0.943 0 40 GCAB Cc1ccc(Cn2c(NN3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 4370922 CHTVCHXQOKPGFA-UHFFFAOYSA-N 383.456 0.354 0 40 GCAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1C=CS(=O)(=O)C1 9306852 GLLNHURCBKAQCU-ZDUSSCGKSA-N 391.449 0.677 0 40 GCAB CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 16045142 OOUXINKIVOPUHZ-UHFFFAOYSA-N 384.458 0.381 0 40 GCAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 28249148 QBCCSNDSEHEKCT-LBPRGKRZSA-N 376.456 0.509 0 40 GCAB CCOC(=O)C1=C(CN2C[C@H](C(=O)OC)Oc3ccccc32)NC(=O)N[C@H]1C 34858839 PNVSLMPJVSHLTF-XHDPSFHLSA-N 389.408 0.946 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC1 89942292 FCOVHFMYVKYFJZ-CYBMUJFWSA-N 396.513 0.573 0 40 GCAB COCCOc1ccc(NC(=O)C2CCN(CCS(N)(=O)=O)CC2)cn1 97164920 VEXCBMFVTNDRNB-UHFFFAOYSA-N 386.474 0.046 0 40 GCAB COc1ccc(NC(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 100970385 ZDKZCLDQMZQYLK-UHFFFAOYSA-N 375.410 0.700 0 40 GCAB C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@@H]12 105226344 HRSGCYGUWHGOPY-AWIWUHOISA-N 397.468 0.305 0 40 GCAB Cc1ccc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(O)nc4=O)C3)nc2c1 257233495 GPNLCJJOAZNZBQ-HZPDHXFCSA-N 397.435 0.819 0 40 GCAB CC(C)n1cc(C[C@@H]2NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)nn1 560875865 MAIGRTZBPSJSAN-HNNXBMFYSA-N 382.424 0.911 0 40 GCAB COc1cccc2c1OC[C@@H](NC(=O)Cc1cc(S(N)(=O)=O)cn1C)C2 585085509 SEAAMEQVSRTXDN-LBPRGKRZSA-N 379.438 0.344 0 40 GCAB COc1cc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCCCN(C)C 585271315 FAQQFQGSHVVGGG-OALUTQOASA-N 393.528 0.903 0 40 GCAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CC(n3nccn3)C2)cc1 952964605 HTVURWBKTNNNTD-UHFFFAOYSA-N 377.470 0.937 0 40 GCAB Cn1c(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@@H]3C2)cccc1=O 1565555133 SYBNULZHNBCNEY-MAUKXSAKSA-N 375.469 0.727 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC2=O)cc1 4084422 KCHJYJUWWYSTBK-PXAZEXFGSA-N 391.424 0.390 0 40 GCAB biogenic CCOC(=O)CCCNC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 4165685 AUXWFBPXUWLGDY-HNNXBMFYSA-N 375.425 0.999 0 40 GCAB Cn1c(-c2ccccc2)cnc1NC(=O)COCC(=O)N1CCC(C(N)=O)CC1 4679201 DXWSVFNQMRTVBW-UHFFFAOYSA-N 399.451 0.766 0 40 GCAB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccccc12 4939446 JNAOMCNYZPKFLQ-LJQANCHMSA-N 384.344 0.496 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCNC(=O)C2(C)C)cc1 21009727 WAUQUFYLPHSPML-OAHLLOKOSA-N 379.482 0.885 0 40 GCAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 23187935 NLQNTYHEIOEMJH-UHFFFAOYSA-N 394.497 0.609 0 40 GCAB Cc1ccccc1CN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 24114474 RYHYCSOVQJPCKY-UHFFFAOYSA-N 380.452 0.783 0 40 GCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318326 GIJAQJWODYCVLP-QGZVFWFLSA-N 386.452 0.973 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)cc1 52410669 XCLTYAXELAKDOB-KRWDZBQOSA-N 395.525 0.844 0 40 GCAB CCS(=O)(=O)NCCNS(=O)(=O)c1cc(Br)ccc1F 60357978 PQLCSZVGUWAOMF-UHFFFAOYSA-N 389.268 0.806 0 40 GCAB CCNC(=O)N1CCN(Cc2c(C(=O)OC)sc(N)c2C(=O)OC)CC1 79065574 ADBHOCNGWZVZBB-UHFFFAOYSA-N 384.458 0.751 0 40 GCAB COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(OC)c(OC)c1 97141343 YTCASKUHWYNJHR-ZDUSSCGKSA-N 385.438 0.435 0 40 GCAB C[C@@H]1CN(c2ccc(NC(=O)C3C(=O)NC(=O)NC3=O)cc2F)C[C@@H](C)O1 100687415 CGIFBOXNUWLNBX-RKDXNWHRSA-N 378.360 0.360 0 40 GCAB O=S1(=O)C[C@@H]2[C@H](C1)N[C@@H]1CS(=O)(=O)C[C@@H]1N2Cc1cccc(Cl)c1 575423133 OKKXYBLYIOKFOT-PYHGIMPFSA-N 390.914 0.076 0 40 GCAB O=S1(=O)CC[C@H](N(C[C@@H](O)CO)S(=O)(=O)c2ccc3ccccc3c2)C1 575424208 TXBNUMLTOLJWMH-JKSUJKDBSA-N 399.490 0.371 0 40 GCAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2c1OC(F)(F)O2 582832852 NRZPHNWYZHIZFE-LLVKDONJSA-N 376.381 0.743 0 40 GCAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 647927278 HZCUCGKJYSKVJA-MRXNPFEDSA-N 386.401 0.965 0 40 GCAB CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 682828016 FCHXHVIIVHQGIH-QZTJIDSGSA-N 388.468 0.187 0 40 GCAB COCCn1cc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)ccc1=O 683716531 MIBLBQZDWNNZNV-UHFFFAOYSA-N 383.408 0.998 0 40 GCAB Cn1c(O)nc(N2C[C@@H]3CN(c4ncc(Br)cn4)C[C@H]3C2)cc1=O 1888843291 WYEOLYCCLPGXAI-NXEZZACHSA-N 393.245 0.611 0 40 GCAB CCn1ncc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 2730839 UMBQYGUNYYKHTO-RQJABVFESA-N 392.412 0.192 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 3097532 WJVSUUOYTGGIPB-ASKKUZCQSA-N 385.372 0.948 0 40 GCAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCCC2)cc1)N1CCOCC1 3211797 KXIHULXPZXQAGP-INIZCTEOSA-N 384.498 0.933 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C)CO)C(C)C)CC2=O)cc1 4086354 BBLVQHSYVMDMGR-DEYYWGMASA-N 391.468 0.686 0 40 GCAB biogenic CC(=O)Cn1c(=O)c2c(nc3n(CC(C)=O)c(-c4ccccc4)cn23)n(C)c1=O 4370801 XOGWVSKLGWZWEI-UHFFFAOYSA-N 393.403 0.994 0 40 GCAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8156531 UXHKSYOXKOKYQL-AWEZNQCLSA-N 395.412 0.821 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)cnc21 12817479 CVINQPXISVIKFI-CYBMUJFWSA-N 393.469 0.088 0 40 GCAB COc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 15565899 IADSVIZJYFBIJB-LLVKDONJSA-N 395.437 0.808 0 40 GCAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCNC3=O)CC2=O)cc1 24913447 ASDPSVSQINSNFG-GFCCVEGCSA-N 375.381 0.533 0 40 GCAB Cc1occc1-c1nnc(SCC(=O)NCC(C)(C)N2CCOCC2)n1N 40025732 UGKWBSDJSNPZCF-UHFFFAOYSA-N 394.501 0.879 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2cccnc2)N(C)S(=O)(=O)N1 72335149 AQBVMBNLOMVKRC-LSDHHAIUSA-N 378.458 0.020 0 40 GCAB CCn1c(C2CCN(C(=O)c3cn(C)nc3OC)CC2)nn(CCOC)c1=O 77147474 QDJRWZAKRUBLBU-UHFFFAOYSA-N 392.460 0.473 0 40 GCAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 97032299 JTZHJKQHASFVMK-LLVKDONJSA-N 399.860 0.917 0 40 GCAB NC1=c2c(F)cccc2=NC(=O)/C1=C1\Nc2ccc(N3CCNCC3)cc2N1 203576497 YJLODPLEXALINE-HTXNQAPBSA-N 378.411 0.211 0 40 GCAB CCOc1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)nn1 206907828 OZLZBMVAWOPYJK-UHFFFAOYSA-N 381.400 0.208 0 40 GCAB Cc1cc(N2CCC[C@@H](N3CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)n(C)n1 574114294 SAJULKIJYHAKLE-MRXNPFEDSA-N 397.483 0.540 0 40 GCAB Cc1cc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)n(C)n1 585111733 AAOIVWOLTYYRFJ-OAHLLOKOSA-N 378.502 0.954 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(c5nccc(OC)n5)C[C@H]4C3)ncnc21 1888913750 BUEJRZZNZJUJFZ-ZIAGYGMSSA-N 396.455 0.844 0 40 GCAB CCN1C[C@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)OCC1=O 2055784350 REDQHIOWIVAWIP-IBGZPJMESA-N 378.425 0.794 0 40 GCAB Cn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3217715 CRYXXUCQGVBZAJ-UHFFFAOYSA-N 397.482 0.567 0 40 GCAB Cc1ccccc1OC[C@@H](O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 5018869 PIMUYWLBUPPWRW-NSHDSACASA-N 378.816 0.835 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1nc2ccccc2o1 8071919 QIWVZIHDFVPKOX-GWJCSSMESA-N 391.449 0.993 0 40 GCAB COC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 10542109 OPYHQVUTVFBULH-UHFFFAOYSA-N 383.470 0.711 0 40 GCAB Cn1ncc2c(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)ncnc21 11680665 UMTSKSQBFUXKLX-UHFFFAOYSA-N 389.441 0.741 0 40 GCAB CN1CCc2c(sc3nc(SCC(N)=O)nc(SCC(N)=O)c23)C1 20191178 JQSSLYVBKXWAEW-UHFFFAOYSA-N 383.524 0.834 0 40 GCAB COCCNC(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20731388 KQEPESLWKSJJPQ-GOSISDBHSA-N 392.431 0.813 0 40 GCAB O=C(COc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 28631708 HWSKJANFAKYDDL-GZBFAFLISA-N 385.380 0.485 0 40 GCAB CC(=O)N1CCN(c2ncc(S(=O)(=O)c3ccc(C)cc3)c(N)n2)CC1 71771770 AVAZIQMVFWNLSD-UHFFFAOYSA-N 375.454 0.869 0 40 GCAB Cc1n[nH]c(SCCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n1 223019685 GTPREPMSOHVKGX-UHFFFAOYSA-N 391.500 0.555 0 40 GCAB Cc1nc2c(c(N3CCC(NC(=O)CN4C(=O)CCC4=O)CC3)n1)CCCC2 225738656 KZASOCVABTUHIJ-UHFFFAOYSA-N 385.468 0.898 0 40 GCAB C[C@H]1Cc2cc(C(=O)N3CCC(c4nn[nH]n4)CC3)ccc2N1S(C)(=O)=O 1636174794 TZAIDBWVGKZLEE-NSHDSACASA-N 390.469 0.930 0 40 GCAB CC(C)c1nc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cn1C 1775966134 SFNMRCDDBCQWQG-UHFFFAOYSA-N 382.421 0.510 0 40 GCAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1 1330374 KOPAXCPGIICITQ-UHFFFAOYSA-N 389.499 0.084 0 40 GCAB Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc43)n2C)n(C)c1=O 4162141 ZSQUEQVUZZWMCO-UHFFFAOYSA-N 385.449 0.652 0 40 GCAB COCc1cn([C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(N(C)C)cc4)CO[C@H]23)nn1 5396071 BXUCGJORQVBHDX-WNRNVDISSA-N 387.440 0.628 0 40 GCAB biogenic,in-vitro COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1 12622764 MOKDHVNBLNIYAU-NSHDSACASA-N 391.243 0.501 0 40 GCAB CN1CCC2(CC1)CN(CC(=O)N1CCC[C@@H](O)C1)C(=O)c1ccccc1O2 19588372 ONFKETPXWFNXMA-MRXNPFEDSA-N 387.480 0.969 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2nc3nc(C)cc(C)n3n2)NC(=O)N[C@@H]1C 22862253 FRTDUCNJBXVGOL-SNVBAGLBSA-N 388.384 0.416 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CSc2nc(CC3CCCC3)n[nH]2)CC1 25244655 XKIOKFRDYMIHKO-UHFFFAOYSA-N 387.531 0.733 0 40 GCAB C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 55811364 LSYLKTMJSGEZQK-ZIAGYGMSSA-N 387.436 0.938 0 40 GCAB CCS(=O)(=O)NCCCNC(=O)c1ccccc1S(=O)(=O)C(C)C 58160370 CHAASHUDFPXUBE-UHFFFAOYSA-N 376.500 0.928 0 40 GCAB C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 95457645 ASIFQSRBGDSLJE-OLZOCXBDSA-N 375.516 0.650 0 40 GCAB O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(C(=O)[C@@H]3CCOC3)CC2)O1 96243629 BYKCFCQIORGIMW-HZPDHXFCSA-N 388.468 0.662 0 40 GCAB CCn1nncc1CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 527928500 KHASJCDJTREZMH-LBPRGKRZSA-N 398.514 0.870 0 40 GCAB CN(C)CCOC1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 575967711 OITGXVOCCQODHS-MOPGFXCFSA-N 393.528 0.997 0 40 GCAB COc1cccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 585290900 XMEHWZIJNBCLGM-MOPGFXCFSA-N 392.477 0.581 0 40 GCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)c4csnn4)CC3)[C@H]2C1 1565548642 GSJYMGAODDPXLC-OLZOCXBDSA-N 379.486 0.179 0 40 GCAB O=C(c1ccncc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243219 SJJOREIGXIGENG-AWEZNQCLSA-N 380.401 0.126 0 40 GCAB C[C@@H](O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 4370898 DTFSIZNPCYRTBY-CYBMUJFWSA-N 384.440 0.131 0 40 GCAB Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 12575935 ZXNLGHZRPAJUGI-INIZCTEOSA-N 395.398 0.908 0 40 GCAB CN(C)C(=O)[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 12865616 ARJJBBWVBNWLMB-INIZCTEOSA-N 389.433 0.857 0 40 GCAB CCCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614002 AIDSNJKEDJPCGJ-HNNXBMFYSA-N 377.441 0.821 0 40 GCAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCOCC2)CC1 20677137 QDICUQNSTBEPQP-IBGZPJMESA-N 386.452 0.770 0 40 GCAB CCOc1ccc(/C=C/C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)cc1OC 31650231 SBLLRFSNMPJHLB-OWNNVSBGSA-N 376.409 0.997 0 40 GCAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 48133626 RIIIXCDWKFACEA-UHFFFAOYSA-N 393.473 0.988 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 72405549 HCFBIJSVCFXLRO-IYOUNJFTSA-N 397.497 0.306 0 40 GCAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225745812 NQCSGJKNBZCZRS-MXSMSXNCSA-N 386.404 0.714 0 40 GCAB CCN1CCN(C(=O)NC[C@](O)(c2ccoc2)c2cccs2)C(=O)C1=O 238848633 IXWINTXOZMWSGT-KRWDZBQOSA-N 377.422 0.977 0 40 GCAB O=C(NCCn1cc(-c2nc(-c3cccnc3)no2)nn1)c1ccc(O)nc1 253537382 SZINPFYHSNPZBX-UHFFFAOYSA-N 378.352 0.921 0 40 GCAB COc1nc(CNC(=O)c2cnn(-c3ccccc3)n2)nc(N2CCOCC2)n1 575607828 QKFQEESNFWOZLM-UHFFFAOYSA-N 396.411 0.228 0 40 GCAB O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 654625423 ZMIHRWXRUJOGCZ-UHFFFAOYSA-N 395.398 0.724 0 40 GCAB CN1CCN(S(=O)(=O)c2cccnc2)C[C@H](Cc2cn3ccnc3cn2)C1 2037838578 PETCKJREGXWWAU-OAHLLOKOSA-N 386.481 0.919 0 40 GCAB Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 1862569 VGCSWFPETPIPSN-CQSZACIVSA-N 386.261 0.352 0 40 GCAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 2104412 QKXJNTODKDYYQR-LLVKDONJSA-N 390.392 0.830 0 40 GCAB biogenic Cn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1=O 2632926 UIMZLDINXJBPFM-UHFFFAOYSA-N 386.393 0.623 0 40 GCAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)NCC(=O)O 5733375 KQRARTKRXBMYFN-IUODEOHRSA-N 379.413 0.643 0 40 GCAB CCOC(=O)C(NC(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)OCC 8980477 QTQCIZSQEWXXPQ-UHFFFAOYSA-N 392.408 0.803 0 40 GCAB COc1ccc(Br)cc1CN(C)C(=O)Cn1ccc(=O)[nH]c1=O 12989872 XWGMTTXJUYXMRY-UHFFFAOYSA-N 382.214 0.966 0 40 GCAB O=C(Cn1ncc(Br)c(Br)c1=O)N1CCNC1=O 14187740 ZVDSHCGWGZLXFF-UHFFFAOYSA-N 379.996 0.320 0 40 GCAB C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 16818717 SSTGIVBESBTRGB-AAEUAGOBSA-N 396.494 0.404 0 40 GCAB CCN1C[C@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O 19526922 LCMRPHCCNOZERN-PBHICJAKSA-N 385.468 0.913 0 40 GCAB NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20610575 HSQVISLGEAFQOG-YHXHNGJMSA-N 396.447 0.615 0 40 GCAB biogenic CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 32929537 MWEQKDNKVBRGDX-GFCCVEGCSA-N 376.500 0.766 0 40 GCAB COCCNC(=O)CSc1nnc2c(=O)n(Cc3ccc(F)cc3)ccn12 48987604 TXVXQUQRXYGACK-UHFFFAOYSA-N 391.428 0.933 0 40 GCAB CN1N=C(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCC1=O 65070545 CLFARWGYNWNXAS-UHFFFAOYSA-N 387.440 0.295 0 40 GCAB Cc1cc(C(=O)N2CC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)no1 70811341 VBNSOYJRGJFEGH-UHFFFAOYSA-N 378.410 0.019 0 40 GCAB C[C@H](CNC(=O)c1cn(CCN(C)C)nn1)N1CCN(c2ccccc2)CC1 78870063 SZVCXJYWJLKSMI-QGZVFWFLSA-N 385.516 0.780 0 40 GCAB O=C(c1ccc2c(c1)OCCO2)C1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 89800333 QNQYFBAVFLUIJO-LSDHHAIUSA-N 381.450 0.510 0 40 GCAB CCOC(=O)c1cn([C@H](CC(=O)Nc2ccccc2)C(=O)NCCOC)nn1 95471810 IKVCAJUTXGUMET-OAHLLOKOSA-N 389.412 0.787 0 40 GCAB Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2cccnc2)CCC3)cn1 96059661 SFTJTONWOBHRSL-UHFFFAOYSA-N 393.451 0.708 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)CC)s2)CC1 224114491 VLDSCWSJPGKMFL-UHFFFAOYSA-N 377.448 0.349 0 40 GCAB COc1cc(S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1C(=O)O 568622798 GMSLEQZMYOLIKY-VHSXEESVSA-N 379.456 0.836 0 40 GCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N2CCCCCC2)nc1 643432615 WAVBLBFUUKCOPO-CQSZACIVSA-N 381.454 0.786 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NN3CCN(C)CC3)c2)C[C@@H](C)O1 3217126 VNPJTPVSMYKSGB-GASCZTMLSA-N 396.513 0.377 0 40 GCAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 5754742 ZBSXSZBHFSDTSV-UHFFFAOYSA-N 395.371 0.974 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 7216613 JUHXRBYFGUNOOR-LBPRGKRZSA-N 394.902 0.654 0 40 GCAB Cc1n[nH]c(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 8429165 RJXXEALZHWULCJ-UHFFFAOYSA-N 379.442 0.611 0 40 GCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 14111079 RVHYTPDRNPITOR-VXGBXAGGSA-N 381.429 0.719 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)NCC(C)(C)N2CCCCC2)n(C)c1=O 16224463 IIELYADRXYCAQK-UHFFFAOYSA-N 390.488 0.205 0 40 GCAB CC(C)(CNC(=O)CSc1nnnn1-c1ccccc1)N1CCOCC1 22133750 FWCDLFRFMLBBEA-UHFFFAOYSA-N 376.486 0.981 0 40 GCAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC(C)(C)C)CC1 22931685 VEBUBTWMXZSAIO-INIZCTEOSA-N 396.532 0.463 0 40 GCAB O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 32935890 HXDMUPFVFAHVHN-UHFFFAOYSA-N 391.493 0.677 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 95963655 MRABBFOHSBXANT-HNNXBMFYSA-N 384.502 0.997 0 40 GCAB CO[C@@H]1O[C@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@@]3(O)[C@@H]5[C@H]6[C@@H](CC[C@H]6[C@H]([C@@H]45)[C@@]12O)O[C@H]3OC 104288784 RJJXWMZYJXNNPT-ZBIACLFWSA-N 390.476 0.995 0 40 GCAB CCC[C@H](C)[C@]1(CC)C(=O)N=C(S[C@@H]2CS(=O)(=O)C[C@H]2O)NC1=O 245380824 NXXAPSZQDRRYHL-HBNTYKKESA-N 376.500 0.723 0 40 GCAB CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)CC1 257252437 JUTSZCNZBKGRSS-NRFANRHFSA-N 393.528 0.259 0 40 GCAB C[C@@H]1NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OCCN(C)C1=O 643559795 BEFPCTXAYHJJJW-AAEUAGOBSA-N 377.397 0.005 0 40 GCAB CN1C(=O)N[C@]2(CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C2)C1=O 676650097 OCKBXCRWVFTMRO-INIZCTEOSA-N 395.441 0.095 0 40 GCAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(Cc3cnc4ccccn34)C[C@H]12 1549160103 APFLNQLMIQSXSQ-INIZCTEOSA-N 381.436 0.962 0 40 GCAB CCn1cc(CC(=O)N[C@]23CCC[C@@H]2N(c2nc(C)nc(N(C)C)n2)CC3)nn1 1615612416 YDLMOOQPBZZAFM-KXBFYZLASA-N 399.503 0.718 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966329 YNBDARKNBUHDJC-UHFFFAOYSA-N 384.364 0.801 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 2925995 ITKAVODFGUNUEZ-UHFFFAOYSA-N 384.845 0.536 0 40 GCAB aggregator COCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)CN(C)C)c(=O)n1C2 4277715 LCYBHALAVBZOFH-UONOGXRCSA-N 376.457 0.331 0 40 GCAB biogenic,in-vitro COC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2cccc(OC)c2)CC1 5272941 QHARKILKOLMQEC-UHFFFAOYSA-N 384.454 0.640 0 40 GCAB CCn1cc([C@H]2C[C@@H](C(=O)NCc3ccccn3)N(C)S(=O)(=O)N2)c(C)n1 12088687 AZWKRLWWAIUYBT-CVEARBPZSA-N 392.485 0.502 0 40 GCAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccc3nnnn3n2)CC1 12997250 WWXDZGWJGGDPDB-UHFFFAOYSA-N 381.368 0.308 0 40 GCAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)NC[C@H]1COc2ccccc2O1 14183800 QPHKCKSGWDEZTP-ZDUSSCGKSA-N 399.359 0.527 0 40 GCAB COc1ccccc1N1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1 16849970 AKDQREYMVXQAFO-UHFFFAOYSA-N 395.481 0.686 0 40 GCAB NC(=O)[C@@H]1CN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CCO1 50927113 ZGHQFEIRSLNIGM-KRWDZBQOSA-N 394.431 0.626 0 40 GCAB C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 55811366 LSYLKTMJSGEZQK-KGLIPLIRSA-N 387.436 0.938 0 40 GCAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 89594105 ZFRUPYXCEKFPQG-SJLPKXTDSA-N 391.516 0.718 0 40 GCAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097942 MCKHFMUBLFGEJG-PXAZEXFGSA-N 382.380 0.169 0 40 GCAB COc1ccc(CC(=O)N2CCC3(CC2)O[C@@H](C(N)=O)Cn2ccnc23)cc1 96144775 TYPXAKYTDDJBRI-MRXNPFEDSA-N 384.436 0.836 0 40 GCAB CN(C)C(=O)CN1C[C@H]2CCN(C(=O)c3ccccc3)CC[C@H]2S1(=O)=O 96145615 IMZOLLRDWJKFCJ-HZPDHXFCSA-N 379.482 0.641 0 40 GCAB Cc1noc(-c2cn(CCNC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)nn2)n1 225583725 MUEMOMZXMCUHTJ-HNNXBMFYSA-N 395.423 0.801 0 40 GCAB Cn1cccc1C(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 248101840 DYVZZMQDFXNDER-CYBMUJFWSA-N 376.438 0.523 0 40 GCAB COCCN1C[C@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)CC1=O 257304863 SNLIINVLUSBECS-CQSZACIVSA-N 391.472 0.312 0 40 GCAB CS(=O)(=O)c1ccc(OCCCO)c(NS(=O)(=O)C[C@H]2CCCO2)c1 585138488 VWGNDPYWBOXXPH-GFCCVEGCSA-N 393.483 0.772 0 40 GCAB N[C@@H](CCC(=O)O)C(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 585285360 OSJWHNIRZLTCPV-MQJTVSLUSA-N 389.452 0.409 0 40 GCAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)n2cnc3c(N)ncnc32)CC1 666431678 ZEYVUDQYZXTWLZ-GFCCVEGCSA-N 384.444 0.919 0 40 GCAB CN(C)C(=O)CN1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC=CCC1)CCO2 1565545698 LAWIMMSKMIODDJ-WOJBJXKFSA-N 379.501 0.751 0 40 GCAB OCCOCCOc1ccc(CN2CC[C@](O)(CN3CCOCC3)C2)cc1 2037916463 ZSCMVSFFFCLAMZ-FQEVSTJZSA-N 380.485 0.343 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772703 RNWUQXHJZZHCNL-UHFFFAOYSA-N 378.458 0.029 0 40 GCAB CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 2601350 LHEXNXATUQAZIJ-AWEZNQCLSA-N 386.261 0.511 0 40 GCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(Cl)cn1 4407063 NESRAPVCSPXEEM-UHFFFAOYSA-N 388.767 0.920 0 40 GCAB COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 7287751 XRCRPFPKBHCEBF-UHFFFAOYSA-N 388.424 0.957 0 40 GCAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 12588175 RDJYHJLXCCWJFF-HUUCEWRRSA-N 383.489 0.982 0 40 GCAB COc1cc2oc(=O)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(C)c2cc1OC 13728578 FWUJKTFMVXLSBS-NSHDSACASA-N 395.433 0.964 0 40 GCAB NC(=O)CCN1CCN([C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)O)CC1 22822996 LKLZUQGTVVWFBW-AWEZNQCLSA-N 382.848 0.615 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC3(CC2)OCCO3)cc1 24995503 WITOBFNHAZQRRO-ZDUSSCGKSA-N 384.454 0.728 0 40 GCAB CC(=O)N1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 36021651 QDFNXJLIVOVRNI-UHFFFAOYSA-N 382.486 0.348 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@H](O)COCc3ccccc3Cl)C(=O)[C@@H]2C1 79019793 TXVPNVAZBMKZAW-JSGCOSHPSA-N 396.831 0.245 0 40 GCAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CC(=O)O 96306570 JGQBCJNJBYMXMB-UHFFFAOYSA-N 385.355 0.730 0 40 GCAB O=C([C@H]1COc2ccccc2O1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238871150 MXYQSBXFQZEAQV-OAHLLOKOSA-N 392.437 0.473 0 40 GCAB COCCNC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2)ccc1C 408617542 DCEPJMMURLUWIB-UHFFFAOYSA-N 380.470 0.936 0 40 GCAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 647928100 DSSOXQJCNOQMSJ-CQSZACIVSA-N 377.440 0.344 0 40 GCAB O=C(CC1(O)CCC1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 1614930601 WXFDBMJMHXRAMA-IBGZPJMESA-N 375.425 0.348 0 40 GCAB CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)CC1 2732627 BUFAFNGTPIJOPQ-HNNXBMFYSA-N 397.545 0.730 0 40 GCAB O=C(CN1CCCCCC1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 3357340 FNRIXYVXPIDRND-UHFFFAOYSA-N 385.511 0.984 0 40 GCAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4303963 FSBQNVBLWCBKMO-UHFFFAOYSA-N 396.407 0.249 0 40 GCAB CCS[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4802843 YPNFVZQPWZMHIF-CQJMVSDSSA-N 392.426 0.823 0 40 GCAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)cc1 7935655 UHSOFYCDGABQFR-UHFFFAOYSA-N 387.392 0.947 0 40 GCAB CNC(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 8423936 JNFSPOISVVPREO-CYBMUJFWSA-N 392.437 0.150 0 40 GCAB Cc1ccc(N2CCn3c2nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c3=O)cc1 8849745 JGYPEDNLGRSFNW-HNNXBMFYSA-N 385.424 0.160 0 40 GCAB COCCN1C[C@@H](C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)CC1=O 12367367 XXCYVMFGKZMHGO-STQMWFEESA-N 377.445 0.059 0 40 GCAB CCCCCN(C(=O)CN1CCOCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O 14067375 JLRANYWQFSBFIL-UHFFFAOYSA-N 395.504 0.774 0 40 GCAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)NCc1ccccc1)CC(=O)N2 20674077 HLRGGGNXVRQUBN-CYBMUJFWSA-N 382.424 0.638 0 40 GCAB CCC(CC)[C@H](CNC(=O)c1ccc(=O)n(CCOC)n1)N1CCOCC1 22899032 GMBSMQPUUSNQOG-KRWDZBQOSA-N 380.489 0.757 0 40 GCAB Cc1cc(CN2CCN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)on1 25232260 FLMYRJIQUKGBMZ-OAHLLOKOSA-N 384.436 0.758 0 40 GCAB Cc1cc(N2CCOCC2)ccc1NC(=O)C1CCN(S(N)(=O)=O)CC1 25274638 MAGYJQNXRUVNDE-UHFFFAOYSA-N 382.486 0.686 0 40 GCAB Cc1ccc(C(=O)NCCN2CCOCC2)cc1N1CCCCS1(=O)=O 35422648 QAWDUOIOWYJKAY-UHFFFAOYSA-N 381.498 0.987 0 40 GCAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccccc3OCC(N)=O)no2)o1 36357599 UJTCUCFUXPMVMG-UHFFFAOYSA-N 378.366 0.769 0 40 GCAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 45958017 RLHHHHBCRKIQIK-CQSZACIVSA-N 395.481 0.684 0 40 GCAB Cc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)nc(-c2ccncc2)n1 60112840 WUEBGWOWIFATOS-UHFFFAOYSA-N 382.468 0.828 0 40 GCAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1C 78752286 XCINFWFECYFVNL-LSDHHAIUSA-N 390.440 0.379 0 40 GCAB CN(C)S(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 95976548 NAMHDBODZYRDHB-QGZVFWFLSA-N 380.514 0.602 0 40 GCAB NC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 96144782 HFSBLKHHCGARBJ-AWEZNQCLSA-N 376.438 0.447 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 97512900 LHPXFMZAXBRTNU-UHFFFAOYSA-N 397.208 0.559 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(C)CC1 113941935 MOSFFZAYEMWHOE-UHFFFAOYSA-N 381.498 0.840 0 40 GCAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(C(=O)OC4)[C@@H](O)C[C@]13C)[C@H]2O 257516603 PUJWFVBVNFXCHZ-XJGBHDTOSA-N 376.405 0.074 0 40 GCAB biogenic CCOC(=O)[C@@H]1CS[C@H](c2c(COP(=O)(O)O)cnc(C)c2O)N1 1608328 OHRKOKMWZUMOMN-JOYOIKCWSA-N 378.343 0.972 0 40 GCAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(N)c1=O 3329096 BFFUQMUFSKWYEU-LBPRGKRZSA-N 390.469 0.616 0 40 GCAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1 4216489 XBABLFRUKSAOAW-UHFFFAOYSA-N 379.442 0.935 0 40 GCAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)NCC(=O)O 5733084 KQRARTKRXBMYFN-DOMZBBRYSA-N 379.413 0.643 0 40 GCAB NC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc(C(N)=O)c1 6471689 FGXBQSAHRZXTCD-UHFFFAOYSA-N 377.378 0.456 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 7813516 ILXLOYGBDZPKIF-MRXNPFEDSA-N 395.481 0.400 0 40 GCAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(S(N)(=O)=O)cc1 7987150 GLFVZOBHVRUKAI-GFCCVEGCSA-N 389.433 0.937 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCc2cccnc2)cc1C 7990225 WZHDDEIPAUPJFT-UHFFFAOYSA-N 390.465 0.409 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 10374394 XONZFLHXMLEISK-UHFFFAOYSA-N 392.485 0.612 0 40 GCAB O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371492 IXTAMLWCERKOEO-HOTGVXAUSA-N 384.454 0.950 0 40 GCAB C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20290951 SURYJNOOKDFABH-JQIJEIRASA-N 378.473 0.983 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)cc1 20567907 HEWQLOUFRKMFLY-UHFFFAOYSA-N 375.878 0.554 0 40 GCAB C[C@H]1CCc2nc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)sc2C1 21798991 NVXCPSOFPXBGSI-VIFPVBQESA-N 388.453 0.654 0 40 GCAB Cc1cc(C)n(C[C@H](C)NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 89594109 ZFRUPYXCEKFPQG-FUHWJXTLSA-N 391.516 0.718 0 40 GCAB CCOC(=O)N1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1 96191966 WEXIYNMTZVFDPZ-UHFFFAOYSA-N 388.428 0.632 0 40 GCAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1O 257293684 QQRVKCHEVCAOFC-YUSALJHKSA-N 390.387 0.739 0 40 GCAB O=C(NC[C@@]1(O)COCCN(Cc2ccc3cc[nH]c3c2)C1)c1cnccn1 257295285 QXRZBRZDCDVESJ-FQEVSTJZSA-N 381.436 0.951 0 40 GCAB CN(C)N([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575425567 ZYYCHSRPZONJLK-HOTGVXAUSA-N 384.479 0.465 0 40 GCAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575426401 SNCUAFCKHDYERP-MNOVXSKESA-N 397.858 0.207 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)c3nnsc3C)O2)cn1 585108579 VZVATADXDSSOMU-MGPQQGTHSA-N 388.453 0.633 0 40 GCAB COc1ccc(S(=O)(=O)NC2CCN(c3cnsn3)CC2)cc1C(N)=O 585149036 XEGMCLSHNLGGNC-UHFFFAOYSA-N 397.482 0.593 0 40 GCAB CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 585284222 VVGSOQHEWAXPNU-FPOVZHCZSA-N 392.496 0.545 0 40 GCAB NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)C1 621034682 NTHPYSJKZFTRFC-GJZGRUSLSA-N 382.486 0.317 0 40 GCAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@H]1CCNC1 659430250 UXFJQMUCKOJXAR-INIZCTEOSA-N 382.486 0.010 0 40 GCAB CN(C(=O)c1ccn(C)n1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971476 PFLSEDHRSPQNDU-UHFFFAOYSA-N 389.423 0.881 0 40 GCAB O=C([C@H]1CN(CC(=O)N2CCc3ccccc32)CCO1)N1CCSCC1 2298064994 ZUQGICJVTXSKAJ-QGZVFWFLSA-N 375.494 0.852 0 40 GCAB O=C(c1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243016 CGKXTGGEGFBTGL-AWEZNQCLSA-N 380.401 0.126 0 40 GCAB O=c1c(N(CCO)CCO)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 1562232 LEOAWLSQTRRILC-UHFFFAOYSA-N 395.459 0.898 0 40 GCAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCS(=O)(=O)C1 3448331 FZRZMIRZLKHGNR-GWCFXTLKSA-N 398.462 0.336 0 40 GCAB CC(C)CCNC(=O)NC(=O)COC(=O)CNC(=O)COc1ccccc1 7141294 QCOCDXLLXZWHQE-UHFFFAOYSA-N 379.413 0.597 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)CC1 11594322 AQPSCHMBXSOOGA-UHFFFAOYSA-N 384.410 0.569 0 40 GCAB COCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12852950 YMJNDEKHOVMTFK-UHFFFAOYSA-N 384.454 0.621 0 40 GCAB COc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 14183822 VHOCCYJXZQTAPA-OAHLLOKOSA-N 395.481 0.484 0 40 GCAB O=S(=O)(c1ccc(N2CCN(c3ncccn3)CC2)nc1)N1CCOCC1 22136940 BNYUFJUNQQKAFV-UHFFFAOYSA-N 390.469 0.219 0 40 GCAB O=C(NCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1F 23316315 ZIDPAMRBNKXGHD-CQSZACIVSA-N 377.416 0.653 0 40 GCAB COCCn1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc2ccccc21 95478231 AGLHPTONBMMFHL-UHFFFAOYSA-N 394.497 0.852 0 40 GCAB COCCOc1cc(C(=O)N2CCN([C@@H](C)C(=O)NC(C)C)CC2)ccn1 253471944 GRWPVCUMQIOELS-HNNXBMFYSA-N 378.473 0.778 0 40 GCAB C[C@]12C[C@H]3CN(S(=O)(=O)c4cccc(C(=O)O)c4)C[C@H](CC[C@@H]1N3)[C@H]2O 257275695 NQMPVRUQHSQKJO-RQFGQTSKSA-N 380.466 0.897 0 40 GCAB CN(Cc1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O 408703473 SGQGRVVMTHESTF-UHFFFAOYSA-N 399.513 0.295 0 40 GCAB O=S1(=O)N[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]2Oc2ncccc21 514290290 XDSYDFYYNMBCTH-OLZOCXBDSA-N 399.425 0.333 0 40 GCAB biogenic,in-vitro C[C@H](NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2)c1nc[nH]n1 583623149 UGGXCXGDHDLDOO-STQMWFEESA-N 394.439 0.880 0 40 GCAB N=C(N)NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 1262773 GWGMPAPKEJIMBI-NEPJUHHUSA-N 382.829 0.880 0 40 GCAB Cc1c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc(O)ccc12 2111643 ARWOYNMARWJMCQ-KRWDZBQOSA-N 390.392 0.691 0 40 GCAB biogenic NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 2655908 HEBDUYJRJWBVLC-UHFFFAOYSA-N 383.426 0.603 0 40 GCAB CC(C)NC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 3027788 GBRQPNOINZZXTK-NSHDSACASA-N 375.472 0.126 0 40 GCAB COCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCCC3)ccc2c1=O 4791396 WGZYSPODPVFORJ-UHFFFAOYSA-N 388.468 0.942 0 40 GCAB Cc1cc(C)c(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 6516743 CJLUAHKAXYZQQD-UHFFFAOYSA-N 398.419 0.785 0 40 GCAB CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCC2)c(=O)c3=O)cc1 8849360 AYCFTPLNIZSILJ-UHFFFAOYSA-N 385.424 0.578 0 40 GCAB COc1cc(OC)nc(NC(=O)COC(=O)CNC(=O)c2ccc(C)cc2)n1 11224575 ZOOUFTKPDGOPFG-UHFFFAOYSA-N 388.380 0.714 0 40 GCAB CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 19499777 BGCRWMUPQJQBLW-RYUDHWBXSA-N 382.486 0.450 0 40 GCAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 28249141 QBCCSNDSEHEKCT-GFCCVEGCSA-N 376.456 0.509 0 40 GCAB O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)NCC2CC2)c1 40119919 WDIMNBJGIABITO-UHFFFAOYSA-N 381.498 0.827 0 40 GCAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(C(=O)[C@H]3CCCO3)CC1)CS2 90609600 UXDPXTBHMPBGCI-UONOGXRCSA-N 392.481 0.123 0 40 GCAB CN(Cc1ncc(C(=O)NCCO)cn1)S(=O)(=O)c1ccc(Cl)cc1 223390189 QJSUPAVZRQUDPQ-UHFFFAOYSA-N 384.845 0.673 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCCC3)C2)C(=O)N1Cc1cccnc1 225382550 NOAIFYFKZJWEOH-MSOLQXFVSA-N 384.480 0.773 0 40 GCAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@@H](Cn2cc(-n3cc(C(=O)O)ccc3=O)cn2)C1 257257891 KRMWBEATUJMNOR-LBPRGKRZSA-N 380.426 0.404 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257279568 OHGBTPGPKIICPT-CQSZACIVSA-N 383.461 0.010 0 40 GCAB COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1 257299024 ROJYCNSWHWLKKE-SFHVURJKSA-N 379.388 0.273 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccncc1)[C@@]1(CCN(Cc3cccnc3)C1)CC2 306129560 IGXRUDCVNIAOEI-NRFANRHFSA-N 390.447 0.791 0 40 GCAB CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409393137 VNPIVODHWZEUQS-ZDUSSCGKSA-N 385.486 0.535 0 40 GCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CCO1 566662683 BCIVLXIPXDOPBO-NHYWBVRUSA-N 389.401 0.715 0 40 GCAB COC(=O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H](C(=O)OC)S1(=O)=O 575410842 NEBMSDWSLGDASG-CRWXNKLISA-N 383.378 0.756 0 40 GCAB O=C1CCc2cc(S(=O)(=O)N3C[C@H]4C[C@H]3CS4(=O)=O)cc3c2N1CC3 575616552 PSMNTJXNWIEBES-GXTWGEPZSA-N 382.463 0.082 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1S(C)(=O)=O 585103430 FKSMRUCAHGJZND-LBPRGKRZSA-N 388.515 0.749 0 40 GCAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(C(=O)C4CC(O)C4)C[C@H]2S3(=O)=O)cn1 585110050 BKHMXIHQQVNVQU-OSURYHIWSA-N 387.461 0.940 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ccc4nnc(C)n4n3)CC2)n1 1889175249 RNQQEDMITAOENO-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB Cc1ccsc1S(=O)(=O)N1CC[C@@H]2CN(S(C)(=O)=O)CCO[C@@H]2C1 2055730267 SKRWPYHOAVQVEE-CHWSQXEVSA-N 394.540 0.728 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccccn2)c1 2055746044 DYMYILUGLNWVPW-ZMSDIMECSA-N 378.454 0.952 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(=O)N[C@@H](C)C(N)=O 1611507 PDGAIHURTAVSLJ-MAUKXSAKSA-O 383.472 0.767 0 40 GCAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806667 WRYGLBFLHNZRLB-JSGCOSHPSA-N 394.501 0.740 0 40 GCAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3309093 GOANSFXZNWCGIU-SWLSCSKDSA-N 382.438 0.845 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c(=O)n(C)c1=O 3390115 BRJHSIFYOUFIAJ-UHFFFAOYSA-N 384.392 0.506 0 40 GCAB CC1(C)S[C@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 3831538 OHKOGUYZJXTSFX-XBWDGYHZSA-N 384.435 0.548 0 40 GCAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC(=O)O)C1=O 8105259 MPDWFEOQMITGBK-JYRVWZFOSA-N 394.405 0.949 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(-c3ccccc3)o2)n(C)c1=O 9349671 YWKBSMSZWTUMKS-UHFFFAOYSA-N 381.352 0.122 0 40 GCAB Cc1c(C(=O)OCC(=O)NC(N)=O)sc2nc3n(c(=O)c12)CCCCC3 11062459 DZRIOTGXMJUVGY-UHFFFAOYSA-N 378.410 0.845 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC(c3ccccc3)=N2)c1 11984576 HJMDKJJBFFFWGF-UHFFFAOYSA-N 388.449 0.735 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 12812868 XEQXMMCIEUIAPU-UHFFFAOYSA-N 378.410 0.052 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)Nc2nc(CC(N)=O)cs2)ccc1OC 12873504 SFHWCBSWLCZWRB-UHFFFAOYSA-N 384.439 0.340 0 40 GCAB CN(Cc1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O 14399348 FCSQFWCVJZPIDD-UHFFFAOYSA-N 380.470 0.860 0 40 GCAB NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15956799 HSQVISLGEAFQOG-RACNMONISA-N 396.447 0.615 0 40 GCAB biogenic O=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)[C@@H]1CCS(=O)(=O)C1 19292436 JEQXZESSROSFBC-GFCCVEGCSA-N 380.470 0.069 0 40 GCAB CCN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 20567265 RRRDMNFWUYMGSI-UHFFFAOYSA-N 396.495 0.804 0 40 GCAB C[C@@H]1OC(=O)O[C@H]1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 26892083 MVHHCXACTDXCAC-SSMDAZARSA-N 399.421 0.756 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(C)(=O)=O)CC1 52854761 GUZSCUNTOONXTM-OAHLLOKOSA-N 385.461 0.684 0 40 GCAB CS[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H]1N1CCCC1 95939743 CTIZQINVZOJEGE-CVEARBPZSA-N 388.493 0.728 0 40 GCAB CN1CCN(c2c(NC[C@@H](c3ccccc3)N3CCN(C)CC3)c(=O)c2=O)CC1 101687148 LDULNDASTDJFQL-SFHVURJKSA-N 397.523 0.435 0 40 GCAB C[C@H]1CN(Cc2nnc(CN3C[C@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@@H](C)N1 225151952 OZNHHHZMMXHYPW-USTZCAOPSA-N 386.548 0.755 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2cncc(Br)c2)C1 252538288 MWIVRBNSPAIYAD-UHFFFAOYSA-N 386.231 0.271 0 40 GCAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCN([C@@H]2CCNC2)CC1 585089263 XAASLHSFRHNEDX-CYBMUJFWSA-N 386.905 0.831 0 40 GCAB CN1CCCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 585285232 PNTWGSXYAUDOMM-HKUYNNGSSA-N 381.904 0.915 0 40 GCAB CN(C)c1cc(N2CCC(Cn3nc(-n4cncn4)ccc3=O)CC2)ncn1 585500691 NGYXZJCWXGNFBS-UHFFFAOYSA-N 381.444 0.597 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)NCCc2c(C)nn(C)c2C)[C@H]1c1ccnn1C 630717526 AFUWNJCHLSABTK-MSOLQXFVSA-N 388.472 0.418 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cc(F)cc(F)c2)CC1 2055746156 RUODBFJOXRUVHO-UHFFFAOYSA-N 377.395 0.953 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2CCOc1ccccc1 1238776 CJUMTZFREHXBSE-UHFFFAOYSA-N 376.394 0.679 0 40 GCAB O=C(O)CN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)SC1=S 1811549 RQSLTVUOPFHVJT-VAWYXSNFSA-N 378.387 0.774 0 40 GCAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C1CC1 1886618 DGGPMTIAHLLFKR-MRXNPFEDSA-N 394.309 0.762 0 40 GCAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3309096 GOANSFXZNWCGIU-WFASDCNBSA-N 382.438 0.845 0 40 GCAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1 3523587 LYYUUZJMPRJXMX-UHFFFAOYSA-N 378.406 0.970 0 40 GCAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2O1 6032542 HCYUAQRNNGZAQW-CYBMUJFWSA-N 397.449 0.625 0 40 GCAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)cc1 6706901 SVBMJLOEQVMIEK-UHFFFAOYSA-N 380.422 0.983 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 12507036 CGIYKTGMPVOOBX-UHFFFAOYSA-N 390.425 0.709 0 40 GCAB Cc1oc([C@H](O)[C@@H](O)[C@@H](O)CO)cc1C(=O)OCC(=O)Nc1ccc(F)cc1 13148255 DXQVUTYCTMFMLM-JQFCIGGWSA-N 397.355 0.270 0 40 GCAB CCOC(=O)N1CCN(C(=O)CSc2nnc3nc(O)cc(C)n23)CC1 15881746 ANOHZQYKAPQFOM-UHFFFAOYSA-N 380.430 0.531 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024734 HWFXDYWQMGAYIQ-JLKNWCKISA-N 384.436 0.471 0 40 GCAB COCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(c1=O)SCC2 16837360 LLQMTOHBOQBPBC-NSHDSACASA-N 385.511 0.925 0 40 GCAB C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)NCc1ccco1 32910495 NKBZGNXBPZVSMV-LLVKDONJSA-N 379.394 0.325 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)cc1 34868199 UHMBOIVRCQSEGA-CQSZACIVSA-N 380.470 0.242 0 40 GCAB NC(=O)c1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)cc1 61718369 VSMBUPRXUZLUCJ-UHFFFAOYSA-N 382.424 0.651 0 40 GCAB Cn1nc2c(c1NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2 71286601 RAQVWZCTDNTWFW-VIFPVBQESA-N 397.482 0.271 0 40 GCAB CN1CCN(C[C@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)CCO2)CC1 95393104 GYIMEEUOYWBGJP-LBPRGKRZSA-N 385.394 0.596 0 40 GCAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)cc12 97012693 HMVSJHIJTQGFPC-OAHLLOKOSA-N 376.442 0.772 0 40 GCAB O=C(CCc1nc(-c2ccncc2)no1)N1CCc2c([nH]n(CCO)c2=O)C1 97572104 PYHLXSLCOQFUSV-UHFFFAOYSA-N 384.396 0.131 0 40 GCAB Cc1cccc(CN2CCn3c(nn(CC(=O)NC[C@H]4CCCO4)c3=O)C2=O)c1 98213146 WLVLMEQBMNWZKV-MRXNPFEDSA-N 399.451 0.304 0 40 GCAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1C[C@@H]2CCCN2C[C@@H]1CCO 257255721 KIPHIYDSGLRYDV-RYUDHWBXSA-N 394.453 0.261 0 40 GCAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 257267662 MIGROMMGURZOSK-FQEVSTJZSA-N 387.436 0.784 0 40 GCAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc2n(C)c1=O 257322328 WFMZYWURYAIAHL-HNNXBMFYSA-N 381.392 0.241 0 40 GCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@](O)(CN2CCCC2)CC1 257340244 ZFEBDMOKBLAWTR-IBGZPJMESA-N 392.500 0.690 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1C 408592368 LHOGFUSHECOPAI-CQSZACIVSA-N 385.486 0.119 0 40 GCAB O=C(c1cccnc1)N1CC2(CN(Cc3cccnc3)C[C@H]3C[C@@H](O)CN32)C1 514288459 AIHNUGGQLGXWJE-RTBURBONSA-N 379.464 0.622 0 40 GCAB biogenic,in-vitro C[C@@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1S(=O)(=O)c1cccnc1 585096322 IJUFSLCHDGHPOY-CYBMUJFWSA-N 391.453 0.516 0 40 GCAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@@H]3CS(C)(=O)=O)nn2)cc1 660871151 KSFFFJRJTKGCIZ-OAHLLOKOSA-N 393.469 0.995 0 40 GCAB C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 838167 GJZUEQOBUQSCTG-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB CC(=O)NCCNC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974456 IGVOGLAICHYSTL-UHFFFAOYSA-N 392.437 0.820 0 40 GCAB COC(=O)c1cc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc(C(=O)OC)c1 3440373 AXBZUHPGEWCKFC-AWEZNQCLSA-N 398.437 0.317 0 40 GCAB COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2sccc2C(N)=O)c1 5825004 OPLUVSPASNLGRJ-UHFFFAOYSA-N 391.405 0.767 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 9339085 XZPUPEKQTPDMEE-NSHDSACASA-N 386.474 0.982 0 40 GCAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 10021555 JYFUECDUBKHHEY-UHFFFAOYSA-N 399.450 0.438 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CC(C)C)n(C)c1=O 12231637 FNSNPYYDYMMIOS-UHFFFAOYSA-N 388.428 0.528 0 40 GCAB Cc1cc(C)n(CCC(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)c(=O)n1 12406455 SMBOXSPFULIGEH-CQSZACIVSA-N 386.456 0.828 0 40 GCAB COc1ccc(N2C(=O)C[C@@H](NCCCN3CCC(C(N)=O)CC3)C2=O)cc1 18190753 COZFBOBHYFDDGK-QGZVFWFLSA-N 388.468 0.504 0 40 GCAB COc1ccc(N2C[C@@H](NC(=O)NCCCN3CCOCC3)CC2=O)cc1 22664488 VKDGFWMFTYKCRO-HNNXBMFYSA-N 376.457 0.822 0 40 GCAB CC(=O)c1ccc(NC(=O)CSc2nc(CCC(=O)O)n(N)c(=O)n2)cc1 27643345 JKRMTHJSAVGAHU-UHFFFAOYSA-N 391.409 0.303 0 40 GCAB NC(=O)c1nn(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c(=O)c2ccccc12 43645192 DGQPMINMMNAHBZ-LLVKDONJSA-N 392.371 0.153 0 40 GCAB CONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 47305082 HLJGHGDBTLYXNR-UHFFFAOYSA-N 384.195 0.833 0 40 GCAB NC(=O)NC1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 78994446 DOTDSXHQAYXGPA-UHFFFAOYSA-N 383.246 0.838 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCCNc2nnnn2-c2ccccc2)C[C@H](C)O1 84706444 BKSBNTABHBRYPV-STQMWFEESA-N 381.462 0.018 0 40 GCAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)O1 95460104 BKLGKPXWFOZDSJ-HIFRSBDPSA-N 383.470 0.059 0 40 GCAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H](O)c1ccc(F)c(F)c1 103154437 SWZAAWVYEJWXBG-OUHDEPDCSA-N 376.359 0.922 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 260905633 RFUYZJVCQGFMEU-KGLIPLIRSA-N 383.470 0.461 0 40 GCAB O=C(c1csnn1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1614931547 FTFKTWNVWBJDNI-BLLLJJGKSA-N 377.426 0.185 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 9051559 IMUPONDIHPTVQR-VHSXEESVSA-N 389.503 0.119 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCCSCc1cccs1)c(=O)n2C 9156917 NHPIMZPXUALDDY-UHFFFAOYSA-N 393.494 0.545 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2sccc2C(N)=O)CC1 11594626 RTJXVIJJSBMCAF-UHFFFAOYSA-N 389.455 0.000 0 40 GCAB COc1cccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2c(N)nc(N)[nH]c2=O)c1 12371606 KYJFGBCCADLUQS-UHFFFAOYSA-N 380.368 0.424 0 40 GCAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 12648240 ZCENDBUKXAHNLU-LBPRGKRZSA-N 382.424 0.478 0 40 GCAB CCS(=O)(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 15884202 OCLNNPUDOYTDAN-UHFFFAOYSA-N 387.469 0.741 0 40 GCAB O=C1N[C@H]2NC(=O)N(CCC(=O)N3CCC(Oc4ccccc4F)CC3)[C@H]2N1 19350124 XIHKNPBTLGYGON-JKSUJKDBSA-N 391.403 0.576 0 40 GCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 21668222 LGJZYAFYVUMNAD-LBPRGKRZSA-N 386.426 0.853 0 40 GCAB Cc1ccc(-c2noc(CN3CCN(Cc4nc(N)nc(N)n4)CC3)n2)cc1 22842503 ZTRKGAIMVDJKSA-UHFFFAOYSA-N 381.444 0.712 0 40 GCAB O=C(NC[C@@H](O)CN1CCOCC1)c1ccccc1I 32819135 KHSICVNQBZECJJ-LLVKDONJSA-N 390.221 0.714 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@]2(C[C@]1(C)O)NNC(=S)N2 35323717 JAOODCGAHPLYJW-DTKOIPMJSA-N 393.465 0.182 0 40 GCAB Cc1nc(S(=O)(=O)NCCC(=O)NCCc2ccc3c(c2)OCO3)cn1C 58165933 IGJPXBNXVZVQSR-UHFFFAOYSA-N 394.453 0.485 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1C 408621493 LKKVAUAGHMCRLC-HNNXBMFYSA-N 399.513 0.509 0 40 GCAB O=C1CN2CCN(S(=O)(=O)c3cccnc3)C[C@@H]2COc2ccccc2N1 1772594687 LECYXQRHDLSHFG-CQSZACIVSA-N 388.449 0.788 0 40 GCAB Cc1cc(C)n2c(SCC(=O)NCCN3C(=O)CSC3=O)nnc2n1 3347264 YGWMOLGKAXIFAQ-UHFFFAOYSA-N 380.455 0.645 0 40 GCAB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)O 5706780 UAQKYYIRNSULAW-ZDUSSCGKSA-N 397.453 0.352 0 40 GCAB O=C(Nc1ccc2c(c1)OCO2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 6620076 PUOKRKIFTPMRSO-LLVKDONJSA-N 379.394 0.519 0 40 GCAB Cn1c(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)cc(=O)n(C)c1=O 6757209 HRTQWQFPOLEQMD-UHFFFAOYSA-N 394.431 0.674 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)O)CC2)cc1 6759900 QYUOLUXPWVTZIX-UHFFFAOYSA-N 397.453 0.637 0 40 GCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7686364 MPAJIWKEWQMGSI-LBPRGKRZSA-N 390.483 0.851 0 40 GCAB COc1ccc2c(C)c(CCC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c(=O)oc2c1 8764426 OCDADJYOELRIFF-LSDHHAIUSA-N 395.433 0.317 0 40 GCAB biogenic CCOc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1S(=O)(=O)N(C)C 9314835 KCOTWBSYJSYRIJ-LLVKDONJSA-N 384.458 0.688 0 40 GCAB Cn1cnc2c1c(=O)n(CCCSc1nnnn1C1CCCC1)c(=O)n2C 9466188 AGWZHYQCLFAZBW-UHFFFAOYSA-N 390.473 0.718 0 40 GCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 11905927 ZDMLGDHNBBFLDL-ZDUSSCGKSA-N 388.467 0.519 0 40 GCAB Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1C 20567926 RMXCDUSFTNYWJH-UHFFFAOYSA-N 383.514 0.908 0 40 GCAB CC(C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 27915022 PSOKQLROOOPBTM-UHFFFAOYSA-N 383.426 0.140 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(C)(C)N2CCOCC2)C1 32825634 BIGURLAMVLNNCM-CQSZACIVSA-N 377.507 0.207 0 40 GCAB O=C(CCNC(=O)c1csc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 36391147 VXNYSKQXQLIXQR-SECBINFHSA-N 395.300 0.934 0 40 GCAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1 51414048 DURMKSCASGJMPG-UHFFFAOYSA-N 379.442 0.807 0 40 GCAB CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)C1 95989903 HJSOHWVFYUOWOJ-GWCFXTLKSA-N 376.381 0.878 0 40 GCAB Cn1cc(N2C[C@]3(COCCN(C(=O)c4cccs4)C3)OCC2=O)cn1 96051440 VZZCRAQROIHGMR-QGZVFWFLSA-N 376.438 0.756 0 40 GCAB COC(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1 96104182 OOGQLLLURBQHOQ-UHFFFAOYSA-N 392.437 0.680 0 40 GCAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)Cc4ccccn4)CCO3)nc2n(C)c1=O 257242453 ICNYNJFQYLZWMU-INIZCTEOSA-N 395.419 0.170 0 40 GCAB COc1ccc(CCNC(=O)Cn2cnc3c2CCNC32CCOCC2)cn1 1615550644 LIMRDUSRTJZBAG-UHFFFAOYSA-N 385.468 0.797 0 40 GCAB COc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)nn1C 1615608192 ZXHWFHVNLUSOQQ-IUCAKERBSA-N 399.395 0.715 0 40 GCAB O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056223978 JTPILSQIWOJFOF-YJBOKZPZSA-N 380.466 0.942 0 40 GCAB COc1cc(OC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)cc2ccccc12 2516259 QXUZIMTYKVLRTG-IRXDYDNUSA-N 398.419 0.524 0 40 GCAB NC(=O)C1CCN([C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 4615308 MNPMZAUGCVRPFT-QGZVFWFLSA-N 398.463 0.638 0 40 GCAB C[C@@H](OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(N)=O 9093318 FMVLDFNKCYRFQX-SNVBAGLBSA-N 382.442 0.173 0 40 GCAB NC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12750222 LXLQEMCAUUGDKX-UHFFFAOYSA-N 393.509 0.958 0 40 GCAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C(C)C)cc1 23187694 INARHQZCNIYHJU-MRXNPFEDSA-N 381.498 0.853 0 40 GCAB COCCn1cc(C(=O)N2CCNCC2)c2nn(-c3ccccc3)c(=O)c-2c1 26422131 APCNVLYYGUBNAV-UHFFFAOYSA-N 381.436 0.831 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)CCNC(=O)c3ccco3)CC2)no1 36408777 RHLSNFNMVJKMRS-UHFFFAOYSA-N 389.412 0.479 0 40 GCAB COc1ccc(CS(=O)(=O)CC(=O)NC(N)=O)c(Br)c1OC 58046028 JILXGOPGELWCAT-UHFFFAOYSA-N 395.231 0.576 0 40 GCAB Cc1csc([C@](O)(CC(=O)NC[C@H](O)CN2CCCC2=O)C(F)(F)F)n1 72311673 WQRPEWOSEURZIA-IINYFYTJSA-N 395.403 0.691 0 40 GCAB CCCCS(=O)(=O)N1C[C@@H]2[C@H](C1)c1nc(N(C)C)ncc1CS2(=O)=O 96083415 WJGVRATUAGLEPA-QWHCGFSZSA-N 388.515 0.369 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cn[nH]c1 257258084 KSIXREPHQLACKV-YRXWBPOGSA-N 386.452 0.546 0 40 GCAB O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)c1ccccc1 514288890 JHVXCWFQFRDMCI-SOUVJXGZSA-N 376.425 0.824 0 40 GCAB biogenic,in-vitro Cn1c(=O)c2nc(SCC(=O)Nc3cccc(F)c3)n(C)c2n(C)c1=O 4571020 XOLSLHJKGQZJRX-UHFFFAOYSA-N 377.401 0.841 0 40 GCAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 6453563 XVUAXZTXWVBBSS-MRVPVSSYSA-N 376.818 0.391 0 40 GCAB CCCNC(=O)Cn1c(=O)/c(=C/c2cccs2)s/c1=C/C(=O)OCC 6888113 AEAJZIBYQYRVTH-AYMWWVTDSA-N 380.491 0.670 0 40 GCAB C[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9576888 VBTSXYZABBTYPG-MNOVXSKESA-N 384.483 0.589 0 40 GCAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(CC(=O)NC2CC2)CC1 22788689 WGQGYTZSSFZLMP-AWEZNQCLSA-N 379.505 0.430 0 40 GCAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cn3cnnn3)C2=O)cc1 33643445 DVRKSCMBYKLPBJ-MDWZMJQESA-N 388.409 0.534 0 40 GCAB O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O 35315269 HIZFNXQAVGLSCS-CVEARBPZSA-N 375.402 0.940 0 40 GCAB CNC(=O)NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 47262061 ZCTICAXPWUXFOS-UHFFFAOYSA-N 398.261 0.950 0 40 GCAB COc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1OC 58304682 ZOYRVGNSMASOAX-AWEZNQCLSA-N 377.441 0.760 0 40 GCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72404250 DXHNVECQRGXQAR-CYBMUJFWSA-N 379.413 0.055 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)cc1 77100106 QEKRAQUFSLOPLN-UHFFFAOYSA-N 388.409 0.725 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nnn(-c2ccc(Br)cc2)n1 77100514 RGNWBBJZKOEHSU-VIFPVBQESA-N 386.231 0.342 0 40 GCAB NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cn2ccsc2n1 84525676 JZBOOOXJGDBRKZ-OAHLLOKOSA-N 399.476 0.657 0 40 GCAB COCCn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cn1 95403595 RDIJKJWYXNWAFV-UHFFFAOYSA-N 380.408 0.982 0 40 GCAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H](C(N)=O)[C@@H]2C(N)=O)cc1 96318968 FDRDLEDRBRPMKE-OPRDCNLKSA-N 393.446 0.416 0 40 GCAB COc1cccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 220175360 MFYPWRAPRXFAOC-OAHLLOKOSA-N 399.513 0.688 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 224750958 CNDFZKMFNSLXBF-UHFFFAOYSA-N 395.525 0.807 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCN1CCc1ccccc1 257325451 WSZFIQHVYPRTAI-GOSISDBHSA-N 396.495 0.658 0 40 GCAB O=C(c1ccc2nccn2c1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549161147 DSXROZJNAWBHNN-OAHLLOKOSA-N 395.419 0.602 0 40 GCAB Cc1nc(C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)cs1 1565556018 UOHIWSIWSVCRKL-QGZVFWFLSA-N 375.454 0.990 0 40 GCAB COCC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2cccc(F)c2)C1 2037946975 OVVLFKLISQMSHW-HXUWFJFHSA-N 396.459 0.905 0 40 GCAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(S(=O)(=O)c2cn(C)cn2)C1 2055750748 VPBLBDZYMZAZMK-MRXNPFEDSA-N 381.433 0.551 0 40 GCAB Cc1ccc(-n2nnnc2SCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8778762 ZFEXFWLLQHPNOZ-UHFFFAOYSA-N 398.452 0.510 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 8844909 DXAPTFJIJXGBGS-UGSOOPFHSA-N 380.445 0.788 0 40 GCAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)N1CCc2ccccc21 12444057 VQVSUMQXAFABRE-UHFFFAOYSA-N 399.432 0.844 0 40 GCAB O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 12561412 PGYHHLNKTGLNSE-MVJTYMMSSA-N 380.448 0.647 0 40 GCAB O=C(N[C@H]1C=CS(=O)(=O)C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 13722227 RPNIBRXJDJBRKB-AWEZNQCLSA-N 384.479 0.514 0 40 GCAB COCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 34873401 ANGWAFGZYRHLKB-INIZCTEOSA-N 383.514 0.761 0 40 GCAB Cc1cc(NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nc(-c2ccncc2)n1 58357129 CTLPHVQVOZLDBR-AWEZNQCLSA-N 375.454 0.952 0 40 GCAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)nn2)n1 77197146 VPIOJGCVCONMQV-UHFFFAOYSA-N 386.437 0.857 0 40 GCAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(S(=O)(=O)N(C)C)CC2 96260499 VNNJJZCPWHBYGX-UHFFFAOYSA-N 383.518 0.716 0 40 GCAB O=C1CC[C@@H](NC(=O)c2nc3[nH]c4c(c(=O)n3n2)CCC4)[C@H](c2ccsc2)N1 100724534 VDQONRDAAXNXBA-OCCSQVGLSA-N 398.448 0.718 0 40 GCAB Cc1noc([C@@H]2CC[C@H](CN(CC(=O)N3CCCCC3)S(C)(=O)=O)O2)n1 548335549 FJJWTVIFDUSSJT-KGLIPLIRSA-N 386.474 0.872 0 40 GCAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)[C@H]1CC(=O)N(c2ccccc2)C1 575414442 HHVHSKBBJJOWMG-GJZGRUSLSA-N 391.435 0.872 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccccc2OC)nc(N2CCOCC2)n1 575607976 RNELRWVAJBWNDE-UHFFFAOYSA-N 395.441 0.204 0 40 GCAB CN1C(=O)C[C@@H](C(=O)O)NC(=O)CCCCCNC(=O)[C@@H]1Cc1ccccc1 643585031 NRCBVRYBXCQUQL-HOTGVXAUSA-N 389.452 0.706 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-c3ccccc3)n2C)NC(=O)NC1=O 1616034978 INDODOUZRSSXLZ-HXUWFJFHSA-N 392.419 0.890 0 40 GCAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n2CCCN1c1cccc(Cl)c1 4249380 ZJWQIUBMDIDLHK-UHFFFAOYSA-N 388.815 0.577 0 40 GCAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1cc(=O)n2ccccc2n1 8705742 QLHSKEMAQTUWRK-UHFFFAOYSA-N 384.392 0.992 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CN(CC(=O)N1CCN(c3ccccc3F)CC1)CC2 12144539 KDWNBJRQWANVNY-UHFFFAOYSA-N 385.443 0.924 0 40 GCAB CC(=O)c1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)cc1 12347503 HHZZBNDKBXRLPF-UHFFFAOYSA-N 391.409 0.303 0 40 GCAB O=S(=O)(NCCNS(=O)(=O)c1cccc2nonc12)c1cccs1 12408560 VWZJFSLXFYBCHM-UHFFFAOYSA-N 388.452 0.541 0 40 GCAB CN(CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 28426044 YRFIKNCDZCDBQH-DOTOQJQBSA-N 393.509 0.665 0 40 GCAB CC(C)[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)NC(N)=O 29664630 AOISBWGSKPFNKL-LLVKDONJSA-N 380.430 0.725 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCN(C(=O)C2CC2)CC1 48325157 TWIFYGNZGWXVOO-UHFFFAOYSA-N 381.454 0.930 0 40 GCAB CNC(=O)CCNC(=O)Nc1ccc(C)c(NC(=O)NCCC(=O)NC)c1 51536030 VKZKXIDXNRZDIG-UHFFFAOYSA-N 378.433 0.510 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 58100690 AQVRKGLSLJLMFN-GFCCVEGCSA-N 375.878 0.455 0 40 GCAB CCN1CCN(C(=O)[C@H]2C[C@@H](c3ccc(OC)cc3)NS(=O)(=O)N2C)CC1 72335001 ZXVQBVWBDXHAFN-DLBZAZTESA-N 396.513 0.439 0 40 GCAB Cn1ncc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1-n1cccc1 96005441 IGULJWYWOCDDRH-UHFFFAOYSA-N 377.470 0.897 0 40 GCAB CC(=O)N1C[C@H]2C3(CCN(S(C)(=O)=O)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036279 UDEJTXUABIYTTB-QFBILLFUSA-N 397.541 0.909 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cccnn3)CC2)CC1 257232560 GLJPBRIRMAENTP-LJQANCHMSA-N 375.473 0.434 0 40 GCAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(O)nc(O)n3)C[C@@H]3CC[C@H]1[C@](C)(C2)[C@@H]3O 257331917 XUVVVYNQQDQJMO-UGUIXCICSA-N 376.413 0.110 0 40 GCAB COCCNC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408619458 HWPLFVMPCCYJPX-UHFFFAOYSA-N 379.276 0.973 0 40 GCAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(S(C)(=O)=O)C[C@H]21 514289420 KMHSMPGXTNQXHX-ZBFHGGJFSA-N 376.438 0.564 0 40 GCAB biogenic,in-vitro O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)c1 575426353 RTYZQWOMYWFHSL-SNVBAGLBSA-N 396.874 0.093 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)c3ncnc(C)c3C)CC2)CN1S(C)(=O)=O 1614938654 APGQOEGXBBAEKE-HNNXBMFYSA-N 396.513 0.996 0 40 GCAB Cc1cc(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)ncn1 1889552656 QLSPFFQHELUDGM-IYBDPMFKSA-N 393.513 0.351 0 40 GCAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc(CCC(=O)O)c1=O 4854793 KYNPUPXELFHVOL-UHFFFAOYSA-N 383.817 0.754 0 40 GCAB NC(=O)CC[C@H](NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5943933 DMAACYFKDDHBJM-JTQLQIEISA-N 391.211 0.950 0 40 GCAB O=C(NCc1ccncc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029429 FORZHHFGVSBOAV-MRXNPFEDSA-N 394.474 0.972 0 40 GCAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC(=O)N2CCCC2)C1=O 14125871 JMASYJFKGUEEHK-FQEVSTJZSA-N 386.452 0.972 0 40 GCAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)N2CCCC2)CC1 19717789 JWGTUGGCMTVYHC-UHFFFAOYSA-N 391.497 0.980 0 40 GCAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 23631229 RSNBNVAKJGPURJ-RBSFLKMASA-N 387.488 0.510 0 40 GCAB Cn1cnnc1-c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 31776949 OFZUKHQGGFVUBH-UHFFFAOYSA-N 393.450 0.930 0 40 GCAB O=C1NC(=O)[C@@H](CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)N1 32678532 OMJRTGYXMVTYEB-OAHLLOKOSA-N 394.859 0.851 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)CC1 35598231 SFOGEVHWVPKKHX-CQSZACIVSA-N 394.453 0.271 0 40 GCAB CN(C)C(=O)CN1CCC(NC(=O)c2csc(-c3cnn(C)c3)n2)CC1 68604102 BURYWNSSXYIBFF-UHFFFAOYSA-N 376.486 0.826 0 40 GCAB O=C(NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2c[nH]cn2)[C@@H]1O)c1ccccc1 77263674 LNAADUNQEUGZDT-QRVBRYPASA-N 396.451 0.693 0 40 GCAB biogenic,in-vitro CCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 79101249 PNUAURZXNGQIOR-UHFFFAOYSA-N 376.479 0.283 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@](O)(c2ccsc2)c2ccco2)C1=O 240122688 WHEIKRRAGFOUJQ-HNNXBMFYSA-N 399.450 0.984 0 40 GCAB COC(=O)c1cn(NC(=O)c2n[nH]cc2Br)cc2c(O)nnc1-2 524733024 LZJNXZSHWKNZCV-UHFFFAOYSA-N 381.146 0.745 0 40 GCAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@]1(O)CCc2ccccc2C1 585080944 BZEUSIGWQPMQIW-IBGZPJMESA-N 378.494 0.979 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4CCOC)C[C@@H]2C1 1888890255 UDFAIVRLAKNYSI-BETUJISGSA-N 380.474 0.190 0 40 GCAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 3322536 XFOCVCLYAVRTDL-UHFFFAOYSA-N 392.861 0.502 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC(C)C)cc1 4569444 UPLIZBHICKFGJZ-CYBMUJFWSA-N 383.470 0.489 0 40 GCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 5765543 OHKOGUYZJXTSFX-FNOROQBZSA-N 384.435 0.548 0 40 GCAB biogenic,in-vitro CCCNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 6187094 DJXRYNSYAGBONN-UHFFFAOYSA-N 399.451 0.581 0 40 GCAB COC(=O)[C@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F 6658120 IDUBLFJPIBNCBG-CQSZACIVSA-N 389.286 0.040 0 40 GCAB Cn1c(=O)c2nc(Br)n(CC(=O)N3CCCCCC3)c2n(C)c1=O 8753901 OKCJQHQZXJRTIF-UHFFFAOYSA-N 398.261 0.599 0 40 GCAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 15957970 ZSFRKRFMTUJCFH-BVJILQTGSA-N 391.427 0.988 0 40 GCAB biogenic O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19340291 VPDCRULVHQKJAZ-ZIAGYGMSSA-N 388.449 0.583 0 40 GCAB C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)C(=O)N1CCNC1=O 21732077 WGRQZVCAYVAZBW-LLVKDONJSA-N 395.437 0.701 0 40 GCAB O=C(CN1CCN(Cn2nnc3ccccc3c2=O)CC1)N1CCCCCC1 22779191 GFKHFUBAZTVZAI-UHFFFAOYSA-N 384.484 0.769 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)c(=O)[nH]c1=O 23122268 UQGWMRTYGSLGRU-CYBMUJFWSA-N 386.408 0.663 0 40 GCAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCCN1CCOCC1)O2 30944583 MSJIXVRKKVYPEA-KRWDZBQOSA-N 397.497 0.361 0 40 GCAB C[C@@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)Nc1ccc(N2CCOCC2)cc1 51568072 MRXQJDXVXKNQCM-ZIAGYGMSSA-N 375.425 0.920 0 40 GCAB COC(=O)CN(CC(=O)N[C@H](Cc1ccccc1)C(C)=O)C1CCOCC1 72305012 ARLWQLSUAQVLLR-GOSISDBHSA-N 376.453 0.957 0 40 GCAB O=C(NCCCn1ncccc1=O)[C@H]1COCC(=O)N1Cc1cccs1 90608548 OIUXXVLJHIMOPY-CQSZACIVSA-N 376.438 0.239 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](CO)[C@H](O)[C@H]1OC(C)=O 253476000 FRTSLPFLUVGQPA-JAZQRGJZSA-N 389.404 0.733 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@@]1(CCN(Cc3ccco3)C1)CC2 306127117 FOSFIPYIUOKVPS-FQEVSTJZSA-N 379.420 0.989 0 40 GCAB Cn1c(C(F)(F)F)nn(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c1=O 575615969 METSINZXFFIHTO-GFCCVEGCSA-N 391.394 0.533 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@H](OCCO)c2cccs2)C1=O 575621657 QHZMZZSMDASCRX-SNVBAGLBSA-N 377.444 0.205 0 40 GCAB CCOC(=O)[C@H]1CS[C@H](c2c(COP(=O)(O)O)cnc(C)c2O)N1 1608327 OHRKOKMWZUMOMN-BXKDBHETSA-N 378.343 0.972 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(=O)n(C)c1=O 3246703 BXCHEFGFWNOJGW-UHFFFAOYSA-N 391.355 0.194 0 40 GCAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1 4386260 DOINQVIZCNQCKD-ZDUSSCGKSA-N 387.440 0.994 0 40 GCAB CC1(C)Cc2c(sc3[nH]c(=O)n(CC(=O)NC[C@H]4CCCO4)c(=O)c23)CO1 8739080 RTWLUSHRFBYNSN-SNVBAGLBSA-N 393.465 0.898 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2nc3c(C)cc4cc(C)ccc4n3c2=O)CC1 12181962 GYOXXDUYJQZEHC-UHFFFAOYSA-N 381.436 0.957 0 40 GCAB CC(C)C[C@@H](CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)N1CCOCC1 26064417 XQLYASUZSQILHZ-HNNXBMFYSA-N 382.505 0.960 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2cccnc2-n2cccn2)C1 40105068 MORNDVSRHQFCNK-OAHLLOKOSA-N 393.469 0.877 0 40 GCAB O=C(C1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1)N1CCOCC1 48326383 BJTJHDIUBJQHQE-GOSISDBHSA-N 398.467 0.554 0 40 GCAB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\NCCN1CCNCC1 106815124 SYGKQLBZKISGSF-VKAVYKQESA-N 393.447 0.801 0 40 GCAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C=O)CC2)Oc2ccc(Cl)cc21 216239286 ABTTYXRMSKWLNU-AWEZNQCLSA-N 387.845 0.168 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C(C)=O 257317796 VLEQFUNIGGDXKC-QGZVFWFLSA-N 399.451 0.359 0 40 GCAB CN(C)c1nc(CNC(=O)Cn2cnc3ccccc32)nc(N2CCOCC2)n1 575608002 RXDFOVMBJYRSDK-UHFFFAOYSA-N 396.455 0.440 0 40 GCAB CN1CCC[C@@]2(CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)C1 578971603 UXYLULJBQKYMDA-QGZVFWFLSA-N 381.502 0.487 0 40 GCAB Cc1nc(N2C[C@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@@H]3C2)c2cnn(C)c2n1 1888879211 NFDGWEZIXOVVMR-VXGBXAGGSA-N 382.428 0.044 0 40 GCAB CCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(C)cc1 4357201 GKKZHBWXIFBZNU-HNNXBMFYSA-N 383.470 0.375 0 40 GCAB COC(=O)CCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 7997266 MDADVWGXUVSKEJ-UHFFFAOYSA-N 376.456 0.704 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 9048619 POIHMSDQKJLEAG-UHFFFAOYSA-N 379.482 0.696 0 40 GCAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N[C@@H]1CCS(=O)(=O)C1 9547134 DHSVVBNSLUBUIE-LLVKDONJSA-N 377.422 0.025 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1OC 10157518 PPHVVEQAOZKDNK-HOTGVXAUSA-N 388.424 0.175 0 40 GCAB Cc1ccccc1OC[C@H](O)Cn1c(NC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12232257 DLOWKNGFLOJSIQ-CYBMUJFWSA-N 387.440 0.992 0 40 GCAB C[C@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)O 12761748 BPPIBGNYRRHLDE-ZANVPECISA-N 390.845 0.688 0 40 GCAB CC[C@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13739062 HOTWUPYJZKJPKW-CYBMUJFWSA-N 375.404 0.804 0 40 GCAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C(N)=O)c1C 13881094 ZUSDKJUINIWQQX-UHFFFAOYSA-N 384.443 0.586 0 40 GCAB COC(=O)[C@H](CN1CCN(CC(=O)NCC(C)C)CC1)[C@H](O)c1ccncc1 22922049 HDRUNYUHVUKLHY-IEBWSBKVSA-N 392.500 0.294 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1ccccc1 225382038 AHUSDWJRGKFUMC-MOPGFXCFSA-N 392.459 0.640 0 40 GCAB biogenic,in-vitro CC[C@H](C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CCN(S(C)(=O)=O)C1)CC2 306132633 LOBJEYVVGQLBRA-YVEFUNNKSA-N 382.486 0.326 0 40 GCAB O=c1[nH]c(O)c([C@H]2c3c(nc(O)[nH]c3=O)Oc3ccc4ccccc4c32)c(=O)[nH]1 4424578 AMBFQKFJAUCEPJ-NSHDSACASA-N 392.327 0.997 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(N)=O)n2C 6147314 ZLQUHNCNKCEDIW-UHFFFAOYSA-N 396.469 0.565 0 40 GCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NN1C(=O)NC2(CCCCC2)C1=O 6993151 HZZWMDGRDFQAJU-UHFFFAOYSA-N 388.380 0.431 0 40 GCAB CC(=O)Oc1ccc2c(C)c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)oc2c1 9481620 AIDCUUXIWPURDZ-GFCCVEGCSA-N 393.417 0.873 0 40 GCAB CC(C)(C)NC(=O)CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 12806636 ANEKPKTXIDTGDJ-UHFFFAOYSA-N 389.499 0.414 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl 12923239 HNRQHDZFOFVQQL-LLVKDONJSA-N 394.902 0.654 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 15826685 KIRFLQWIFDNGFX-UHFFFAOYSA-N 394.434 0.685 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(Cl)cc1 20637056 NYJINFLWUYXNNF-LSDHHAIUSA-N 392.843 0.820 0 40 GCAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 20717060 WYNKWXWWOABCKS-UHFFFAOYSA-N 375.491 0.737 0 40 GCAB CS(=O)(=O)N1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 29500861 QXXABSMMKAMOJN-UHFFFAOYSA-N 390.259 0.892 0 40 GCAB COC(=O)c1cc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc(C(=O)OC)c1 40386608 GZBAIHOXULATOW-LLVKDONJSA-N 387.352 0.448 0 40 GCAB CN1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 71772363 ZALJRCYFSWOFEU-UHFFFAOYSA-N 382.424 0.837 0 40 GCAB Cn1nc(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)n(C2CC2)c1=O 77148316 IUBXWOLZWNBHIA-UHFFFAOYSA-N 394.439 0.912 0 40 GCAB CCCC(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 95455949 BFBQPXXDZHXPMP-CQSZACIVSA-N 397.497 0.792 0 40 GCAB O=C(CCn1ccc(O)nc1=O)NCc1nnc2ccc(-c3ccsc3)nn12 253537687 IZVMXMGVWUYZEA-UHFFFAOYSA-N 397.420 0.822 0 40 GCAB C[C@@H]1COCCCN1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 676500850 MYBDUOFIABZPNH-CYBMUJFWSA-N 385.490 0.394 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1 1775969495 VJJVCRHFYGSWLE-UHFFFAOYSA-N 380.474 0.489 0 40 GCAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cnc[nH]5)C[C@H]4C3)ncnc21 1888921950 PEKAAKSRWQVPML-TXEJJXNPSA-N 388.457 0.326 0 40 GCAB C[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc2c(c1)OCO2 4361160 QTJSULHQPKKCRA-SECBINFHSA-N 377.353 0.616 0 40 GCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc21 4520567 JRPUFPUYIVGSBQ-UHFFFAOYSA-N 389.433 0.595 0 40 GCAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2CCO)c1=O 4940549 MWIPDGWVYCEAEQ-UHFFFAOYSA-N 377.788 0.886 0 40 GCAB CCCn1nnnc1Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 9367162 HLCOMTVMNNIOLE-UHFFFAOYSA-N 394.439 0.873 0 40 GCAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1c[nH]c(=O)[nH]c1=O 12391810 XFSMLDIJQPHOAM-UHFFFAOYSA-N 375.772 0.495 0 40 GCAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2O1 13689094 BEGBIUVCFJLZFR-SNVBAGLBSA-N 381.406 0.942 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(OC)cc1OC 18077596 BNNBASGYHBCGJM-HOTGVXAUSA-N 391.424 0.742 0 40 GCAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccncc1 19346652 MHNGKBVHOLGLEL-HXUWFJFHSA-N 394.435 0.657 0 40 GCAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCN4CCC[C@@H]4C3)ccc2=O)no1 19750954 WGYMOXRIZUTIQQ-OAHLLOKOSA-N 385.424 0.704 0 40 GCAB NC(=O)C1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 21847052 NRSXRHWFRRGTMY-UHFFFAOYSA-N 394.497 0.607 0 40 GCAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN([C@@H]3CCS(=O)(=O)C3)CC1)C2=O 22935487 JNVMBQNYIGYEGA-RKVPGOIHSA-N 398.529 0.249 0 40 GCAB CN1CCN(CCCNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 22935620 PQBHXYIPNMFXJB-UHFFFAOYSA-N 385.472 0.019 0 40 GCAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)CN(C)C1=O 32859636 SHPOQNAZFMDVAK-UHFFFAOYSA-N 397.229 0.706 0 40 GCAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 39985814 XTZKPUTYLYWOBJ-UHFFFAOYSA-N 399.513 0.592 0 40 GCAB COc1ccccc1-c1ccc(=O)n(CC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 40286615 SXWYVOORBPJYBS-GFCCVEGCSA-N 377.422 0.222 0 40 GCAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 48236833 GRRCJDNUBKXVOR-ZDUSSCGKSA-N 392.437 0.326 0 40 GCAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2CCCNC2=O)cc1 68353872 RELRPGPPJKKMNW-CQSZACIVSA-N 378.454 0.951 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc(-n2cccn2)ccc1=O 70655901 CBYQWKQPWBQWAT-NSHDSACASA-N 388.409 0.276 0 40 GCAB CN1C[C@@H](C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)CC1=O 72325337 GWYGFJZOQKUUJU-LHSJRXKWSA-N 398.463 0.798 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)Cc3cccs3)n2)CC1 77196556 BRQGFPSFEOITEZ-UHFFFAOYSA-N 398.466 0.635 0 40 GCAB COC(=O)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2O1 226075856 OBOYKJHWHXWYCP-HNNXBMFYSA-N 382.438 0.625 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@](O)(c2ccoc2)c2cccs2)C1=O 244909728 ASYXRUNACINTFG-HNNXBMFYSA-N 399.450 0.984 0 40 GCAB COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C)cn2)C1=O 306139672 TXCRFROJBGWYEL-LIRRHRJNSA-N 386.456 0.258 0 40 GCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@H]21 585109878 FILQSVBDOWLAGR-CYBMUJFWSA-N 376.436 0.652 0 40 GCAB CCn1ccnc1CN1CCN(C(=O)CCn2cnc3c(N)ncnc32)CC1 668587515 VZVHYLDENXMXSQ-UHFFFAOYSA-N 383.460 0.359 0 40 GCAB Cc1nc(N2C[C@@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@@H]3C2)c2cnn(C)c2n1 1888879210 NFDGWEZIXOVVMR-TXEJJXNPSA-N 382.428 0.044 0 40 GCAB CCc1nc(SCC(=O)N2CCC(C)CC2)c2c(=O)n(C)c(=O)n(C)c2n1 4138877 IKSHHOBCJKJKOG-UHFFFAOYSA-N 391.497 0.940 0 40 GCAB CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)N4CCOCC4)CO[C@H]23)n1 5433890 AMUSSZLUNXEVLQ-WMHQRMGPSA-N 391.472 0.763 0 40 GCAB biogenic,in-vitro Cc1ccc(NC(=O)C2=NNC(=O)CC2)cc1S(=O)(=O)N1CCOCC1 7238982 PEQRLNOQBUCKKG-UHFFFAOYSA-N 380.426 0.220 0 40 GCAB COCCN1CC2=C(C1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)NC(=O)N2 7736455 GLBXWCNREWDAJD-OAHLLOKOSA-N 377.397 0.809 0 40 GCAB CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)[C@H](C)O)n1c(O)nc2ccccc2c1=O 9058591 ZXBWYXAJSHQNLM-BPNCWPANSA-N 377.397 0.640 0 40 GCAB biogenic O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](O)C3)CC2)Nc2ccccc21 12085623 WLBSWRSNQXUBDR-JLTOFOAXSA-N 386.452 0.534 0 40 GCAB CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccccn3)N(C)S(=O)(=O)N2)c(C)n1 12088688 AZWKRLWWAIUYBT-JKSUJKDBSA-N 392.485 0.502 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 12923829 MBYUAPGUTKADOJ-UHFFFAOYSA-N 376.456 0.176 0 40 GCAB COc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1Cl 15656631 SGFYPPQUMWXBCP-UHFFFAOYSA-N 377.788 0.734 0 40 GCAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)[C@H]3CCCCO3)C2)c2nccnc21 19021480 WSFOABCOXYJNCT-LSDHHAIUSA-N 386.456 0.847 0 40 GCAB O=C(CN1CCOCC1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 22550337 TXWXAEIHLMJCRF-UHFFFAOYSA-N 377.470 0.775 0 40 GCAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23289894 QKJUABACZRTGHR-MAUKXSAKSA-N 397.516 0.678 0 40 GCAB CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 32770982 RRQIGXVGZROHNP-ZDUSSCGKSA-N 385.511 0.893 0 40 GCAB Cc1cc(CN2CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)no1 43595205 FYCJGDKZOJDDAD-LLVKDONJSA-N 377.367 0.877 0 40 GCAB CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1 72321273 YEKODYLLXWLQNI-SJLPKXTDSA-N 391.449 0.914 0 40 GCAB biogenic,in-vitro O=C(CN1CCOCC1)N1CCC[C@@H]1[C@@H]1Nc2ccccc2S(=O)(=O)N1 72342524 UFADXCULZNGENR-RHSMWYFYSA-N 380.470 0.040 0 40 GCAB CN(C)C(=O)CN(C)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br 83844065 XGXXFTHXFHPGGS-UHFFFAOYSA-N 391.247 0.327 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 96104220 ZBUZUEHVXILNDB-UHFFFAOYSA-N 388.446 0.581 0 40 GCAB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)Nc1ccc2c(c1)OCO2 101186927 KPEKLRNGYMRJSF-BXUZGUMPSA-N 379.394 0.375 0 40 GCAB Nc1nc(/C=C(\O)c2ccccc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 104200557 TXHIENAAASYZJJ-KMRSUVIZSA-N 385.380 0.076 0 40 GCAB O=S(=O)(N1CCOCC1)N1CC[C@@H](Oc2ncccc2Br)C1 238835901 GRNGFLBREFWIIR-LLVKDONJSA-N 392.275 0.874 0 40 GCAB CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc21 257287655 PQYXKSMKAFOHQT-QWFCFKBJSA-N 399.495 0.760 0 40 GCAB Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257291739 QIKLBSAJDCVGPV-HGHGUNKESA-N 399.495 0.565 0 40 GCAB NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2ccccn2)nc1 615954344 OMNOOQUMNULOFT-CQSZACIVSA-N 375.454 0.931 0 40 GCAB O=C(Cn1ccccc1=O)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 1565555210 AUGLWQQAEGBXQO-YLJYHZDGSA-N 376.453 0.767 0 40 GCAB C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 838156 HCETUUQAAQKNCV-JTQLQIEISA-N 377.832 0.928 0 40 GCAB biogenic CS(=O)(=O)Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 3448905 ZQKSLDULHJMXJB-UHFFFAOYSA-N 396.490 0.851 0 40 GCAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 5067505 GWZKVOFSEDYVEX-WPRPVWTQSA-N 381.142 0.833 0 40 GCAB O=C(CSc1nc2ccccc2nc1SCC(=O)NCCO)NCCO 5949148 SQDAWUNSCTYTPS-UHFFFAOYSA-N 396.494 0.031 0 40 GCAB CC(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 9918495 CHUUONQZXSJWJV-UHFFFAOYSA-N 396.494 0.943 0 40 GCAB COc1cc(NC(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)cc(OC)c1 12390417 GPIOOLFRLJZJJS-UHFFFAOYSA-N 399.469 0.526 0 40 GCAB CCC(=O)N1CCC(c2nc(N3CCN(C)CC3)ncc2S(C)(=O)=O)CC1 19498532 XMTGXDWZMJLEOQ-UHFFFAOYSA-N 395.529 0.748 0 40 GCAB O=C(O)CCCCCNCC(CNCCCCCC(=O)O)(C(=O)O)C(=O)O 31723341 JKJAEXTZQVTNGP-UHFFFAOYSA-N 390.433 0.611 0 40 GCAB COc1ccc(C[C@](C)(O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 90595571 AMIYJYGUNHPIMN-SFHVURJKSA-N 384.498 0.777 0 40 GCAB CN(C)C(=O)Cn1cccc(NC(=O)CNC(=O)OCc2ccccc2)c1=O 95975566 HOMKBLRTNXONNY-UHFFFAOYSA-N 386.408 0.801 0 40 GCAB Cc1cccc(CN2CCn3c(nn(CC(=O)Nc4cc(C)on4)c3=O)C2=O)c1 98213118 ITNYQKVIUSDHIY-UHFFFAOYSA-N 396.407 0.944 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)=O 257266138 MBTHNMMQUSYEJF-LLVKDONJSA-N 375.351 0.016 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2CCc3ccccc32)CCO1 262953136 OYYOLIJKBLYAIL-GDBMZVCRSA-N 396.465 0.290 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(Cc2nc3ccccc3s2)CCO1 263005983 XYVDXUGNLHPIPS-GFCCVEGCSA-N 399.494 0.843 0 40 GCAB Cc1nc(C(=O)N2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)cs1 306129058 HSWRNYMPUYMQDG-CHWSQXEVSA-N 387.465 0.839 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2ccnnc2)C3)n1 575402639 DNLFSWFNARTEKR-AWEZNQCLSA-N 389.437 0.283 0 40 GCAB CCO[C@@H](CS(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)C1CC1 625211970 XQLDUPURAHGRNU-ILXRZTDVSA-N 378.466 0.403 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccsc2Cl)CCO1 663026254 ODILZOBKCDZNED-VIFPVBQESA-N 396.874 0.589 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)C(C)C)C[C@H]4C3)ncnc21 1888890691 CYMHKQXPFUMGNY-OKILXGFUSA-N 394.501 0.579 0 40 GCAB Cn1nnc(NC(=S)NC(=O)c2cccc(I)c2)n1 1255640 MDPZNGVPZPELCZ-UHFFFAOYSA-N 388.194 0.942 0 40 GCAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 3016106 SIPRNKRSQCQEHY-INIZCTEOSA-N 395.481 0.599 0 40 GCAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 4249240 DUHYYRKAMZZWSU-UHFFFAOYSA-N 388.815 0.577 0 40 GCAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)CN2CCCC2=O)cc1C 6582914 PXLGETCHTZKITE-UHFFFAOYSA-N 388.453 0.636 0 40 GCAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2O1 6759447 JLPARKVEBXCSMM-SNVBAGLBSA-N 383.422 0.818 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12730080 YFNUTSAVVGGXED-UHFFFAOYSA-N 390.465 0.589 0 40 GCAB C[C@@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 14095961 HQFNRXCTURFPIY-ZWNOBZJWSA-N 391.453 0.969 0 40 GCAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1CCCC1 20465851 KNURFGOORAKGPE-YDZRNGNQSA-N 377.485 0.352 0 40 GCAB biogenic,in-vitro COCCCNC(=O)CN(C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O 78953954 OLNLFPITVMTYQQ-ZDUSSCGKSA-N 383.470 0.725 0 40 GCAB COc1ccccc1-c1ccc(=O)n(CN2CCN(S(C)(=O)=O)CC2)n1 79477464 GNERFMAONYNULP-UHFFFAOYSA-N 378.454 0.454 0 40 GCAB CN(C)C(=O)[C@]12CCCN(C(=O)c3ccnnc3)C[C@H]1CN(c1ncccn1)C2 96056113 XYRYRLKTCMZVLR-JXFKEZNVSA-N 395.467 0.714 0 40 GCAB CN1C[C@]2(CCN(C(=O)c3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O 306123402 AMCVGVWEKUAYCS-KRWDZBQOSA-N 376.438 0.718 0 40 GCAB CCn1c(O)nc2cc(C(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)ccc21 628773556 ZJZUDWKIOBFYBI-UHFFFAOYSA-N 383.412 0.930 0 40 GCAB CN1CCN(c2ncnc3c2CCN(C(=O)Cc2ccc(F)cn2)CC3)CC1 1565542868 ZIJHABCMUOKJCP-UHFFFAOYSA-N 384.459 0.932 0 40 GCAB CN(C)c1nccc([C@@H]2C[C@@H]3CCN(S(=O)(=O)c4cn(C)cn4)C[C@H]3O2)n1 2055759270 DXNOGZDSUGDBDG-AEGPPILISA-N 392.485 0.817 0 40 GCAB CC1=NCCN1CCNC(=O)c1ccc(C(=O)NCCN2CCN=C2C)cc1 1703247 CMZOFLJELVCKCU-UHFFFAOYSA-N 384.484 0.614 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 3356160 TWZSCBCFLDWXNA-UHFFFAOYSA-N 383.307 0.307 0 40 GCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)CC1 4163064 OIMRTTQVUXTHCU-INIZCTEOSA-N 387.436 0.951 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2nc3c(s2)CCCC3)n(C)c1=O 4943441 NMROYVMMNPWYIL-UHFFFAOYSA-N 388.453 0.798 0 40 GCAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 8298013 QXHDDMPYFPQNBI-BBWFWOEESA-N 391.516 0.903 0 40 GCAB biogenic,in-vitro CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 8993498 WJTDZOVUEVKSCS-QWHCGFSZSA-N 384.479 0.831 0 40 GCAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(C)CC1 19973063 TVJWFNFERDJQNS-SFHVURJKSA-N 397.483 0.806 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36316592 WNGTUSBIJNUSCQ-UHFFFAOYSA-N 375.516 0.653 0 40 GCAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 38828105 CBCVTMOVQZKUQO-CYBMUJFWSA-N 399.407 0.680 0 40 GCAB NC(=O)c1nn(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c(=O)c2ccccc12 43645194 DGQPMINMMNAHBZ-NSHDSACASA-N 392.371 0.153 0 40 GCAB Cc1cccc(NC(=O)CCNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 48302469 AMVSBWRDPHBAGP-INIZCTEOSA-N 394.435 0.955 0 40 GCAB COCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N2CCOCC2)n1 67219856 MQYQZLXWVSXXNJ-UHFFFAOYSA-N 390.415 0.682 0 40 GCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(C(N)=O)cc3)C2=O)n(C)n1 97009983 HANMVRYXBXMWEQ-CQSZACIVSA-N 391.453 0.301 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 97019980 GNCUWUYIWLVSHY-OAHLLOKOSA-N 395.481 0.866 0 40 GCAB COC(=O)C(F)(F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 222377629 MNYSANUIIHSJPI-UHFFFAOYSA-N 378.353 0.454 0 40 GCAB C[C@H]1Oc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc2NC1=O 252498795 RLIDWVJRAFGUQT-GFCCVEGCSA-N 389.437 0.707 0 40 GCAB C[C@@]1(CO)O[C@@H](N2CCN(Cc3ccccc3)CC2)[C@](C)(O)[C@](C)(O)[C@]1(C)O 257345184 XOSLXWLHQVUTQP-IFLJBQAJSA-N 394.512 0.165 0 40 GCAB CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 263631162 JAMUNSUIXBIERM-GBJTYRQASA-N 391.442 0.829 0 40 GCAB Cc1ncn(CC(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)c(=O)c1C 575611284 DPVCBQRSHGEKLD-UHFFFAOYSA-N 395.416 0.769 0 40 GCAB COc1ccccc1OCC(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575614893 BORUUEOMBOHIPZ-UHFFFAOYSA-N 385.486 0.709 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 585286688 HQLKPAOARFQCFZ-OAQYLSRUSA-N 392.496 0.811 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 585321902 GJFGLIHBXVZMMG-UHFFFAOYSA-N 379.486 0.951 0 40 GCAB O=c1cc(C2CC2)ncn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 618254995 JYMXBAFWXQXTKR-UHFFFAOYSA-N 377.422 0.870 0 40 GCAB Cn1cnc(-c2ccc(NC(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)cc2)n1 626489153 WMFHVUXYVBTBAH-AWEZNQCLSA-N 394.457 0.264 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)Nc2cnc3n[nH]c(C)c3c2)[C@H]1c1cnn(C)c1 667161811 UMXKNCCCFPHSHX-CVEARBPZSA-N 383.412 0.927 0 40 GCAB O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCOC1)CC2)c1cscn1 1565555755 GWMXZFNTFTUDRP-NSHDSACASA-N 389.437 0.009 0 40 GCAB COCCOc1ncccc1NC(=O)N(C)Cc1nnc2n1CCOCC2 1615546786 CBNCKMLVNQTROP-UHFFFAOYSA-N 376.417 0.935 0 40 GCAB Cn1c(N2C[C@H]3CN(c4ncnc5ccsc45)C[C@@H]3C2)cc(=O)n(C)c1=O 1888876290 JSLHOOCODRJVTF-RYUDHWBXSA-N 384.465 0.661 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3ccnc(N4CCCC4)n3)CC2)C[C@@H](C)O1 2086889120 CCROLJVXUNDUDV-CALCHBBNSA-N 388.516 0.835 0 40 GCAB CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1 2701564 UXOBUCYAVMGLPP-FYJFLYSWSA-N 381.479 0.916 0 40 GCAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cnnn1 3359610 PCMQTKKKJWPQDX-UHFFFAOYSA-N 376.417 0.946 0 40 GCAB COC(=O)CN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 4475695 IDISDSNLQBESLY-MRXNPFEDSA-N 376.394 0.361 0 40 GCAB Cc1ccccc1-n1nnnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 5352893 XIOKIMQJEXBRJT-GFCCVEGCSA-N 381.483 0.708 0 40 GCAB COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 5896385 AWVXAUJXOKWQEU-NSHDSACASA-N 382.467 0.671 0 40 GCAB O=C(COC(=O)/C=C/c1ccc(Br)o1)N[C@@H]1CCS(=O)(=O)C1 6066109 ODNMDMIGUHBPMM-HDMKULJXSA-N 392.227 0.902 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 6318106 GOFCPYKUMJBHBH-YOEHRIQHSA-N 390.417 0.531 0 40 GCAB biogenic Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCSc3ccccc32)n(C)c1=O 6589549 NZJNGKQOFKKMEG-LBPRGKRZSA-N 385.449 0.787 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)NCCN2CCCCC2)sc(C(N)=O)c1C 9047615 CYLBUCLBOCYBSY-UHFFFAOYSA-N 396.469 0.483 0 40 GCAB CN(C)C(=O)CN1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 12365550 BKJZWVOHGMAHAA-UHFFFAOYSA-N 381.498 0.763 0 40 GCAB COc1cc2ncn(CCC(=O)N3CCC(C(N)=O)CC3)c(=O)c2cc1OC 32071065 JNFDDKGTPCUHJM-UHFFFAOYSA-N 388.424 0.528 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 35300783 KMVDQOUZPFZZSB-UHFFFAOYSA-N 384.502 0.838 0 40 GCAB O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCS(=O)(=O)C1 36395002 ZHZYODWTHJDYKT-SNVBAGLBSA-N 388.829 0.144 0 40 GCAB CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@H]1CO 72321294 OZMDBHGHISFRII-CRAIPNDOSA-N 375.425 0.384 0 40 GCAB biogenic,in-vitro CC(C)NC(=O)N1CCN(C(=O)C2CCOCC2)C[C@@]2(CC(=O)N(C)C2)C1 96036127 GYOVWLOYVRJWLX-IBGZPJMESA-N 380.489 0.524 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 225518818 FMZQURMPMOGGLE-SZVRAQGESA-N 390.427 0.299 0 40 GCAB biogenic,in-vitro Cn1nccc1C(=O)N1C[C@H]2c3nc(=O)c(C(=O)NC4CCCC4)cn3C[C@H]2C1 306138729 SFUJSIXXAHZLGO-GXTWGEPZSA-N 396.451 0.519 0 40 GCAB Cn1nc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)ccc1=O 575606436 JIXPQQGYWDNVIK-UHFFFAOYSA-N 386.334 0.172 0 40 GCAB C[C@]1(O)COC2(CCN(C(=O)CCCCN)CC2)C[C@@H]1n1ccc(O)nc1=O 2037819084 DXKVGYDTBCPSJH-KSSFIOAISA-N 394.472 0.152 0 40 GCAB O=C([C@@H]1CN(CC(=O)N2CCc3ccccc32)CCO1)N1CCSCC1 2298064993 ZUQGICJVTXSKAJ-KRWDZBQOSA-N 375.494 0.852 0 40 GCAB Cc1noc(C)c1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243181 PPWWDIYBMCHDGU-ZDUSSCGKSA-N 380.426 0.196 0 40 GCAB CC[C@H](C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O 859412 JUWCUJFIMNFYJA-QGZVFWFLSA-N 390.436 0.953 0 40 GCAB CCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4161086 LMRRVJKYHCDKNH-NSHDSACASA-N 379.486 0.947 0 40 GCAB CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C 4554369 IYOMTCIVMTXMPJ-CQSZACIVSA-N 385.461 0.930 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC[C@H]1CCCO1 4964718 GQFATWMXWRVAKI-OAHLLOKOSA-N 397.497 0.723 0 40 GCAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC[C@@H]1CCCO1 5339992 MAXVCJSBKZUWTP-ZDUSSCGKSA-N 397.453 0.469 0 40 GCAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1[nH]c(=O)c3ccccc3c1=O)C2=O 8216842 SCDKMCVOVRNMME-UHFFFAOYSA-N 399.407 0.222 0 40 GCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccn2)cc1 13371678 CCEGFVCMIPACQX-IRXDYDNUSA-N 396.490 0.819 0 40 GCAB CCN1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19527867 JRZVWZPODKBNLY-NRFANRHFSA-N 399.495 0.715 0 40 GCAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(S(=O)(=O)N(C)C)CC2 19711597 OCXYHYBASGOCPY-OAHLLOKOSA-N 396.517 0.756 0 40 GCAB O=c1n(-c2ccc3c(c2)OCO3)c(=O)n(Cc2ccon2)n1Cc1ccon1 30953022 KLFOOWKMRADFNU-UHFFFAOYSA-N 383.320 0.602 0 40 GCAB O=C(CCn1cccn1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 40069839 MFSIJZDLCALOIO-UHFFFAOYSA-N 384.483 0.672 0 40 GCAB O=C(CN1CC(c2nc(-c3ncccn3)no2)C1)NCc1ccc2c(c1)OCO2 49483137 QOTFJXZWACLIDD-UHFFFAOYSA-N 394.391 0.971 0 40 GCAB O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccc(Cl)s1 96025221 OXBXFMRUCQDLBU-UHFFFAOYSA-N 386.846 0.517 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(-c2cccs2)on1 96097959 LXGVYSGWPUASKK-UHFFFAOYSA-N 383.393 0.971 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 97081385 XSGBEBNBCYBVCC-AWEZNQCLSA-N 393.469 0.996 0 40 GCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCOC)c2cc(Br)ccc21 101449072 LUAFYKLYSPZHSZ-GFCCVEGCSA-N 384.230 0.736 0 40 GCAB O=C1CN([C@@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@@H]1CCS(=O)(=O)C1 217342180 ZKEJCZHFVAOYCE-CHWSQXEVSA-N 384.479 0.214 0 40 GCAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 222604098 NYBLHCFYKKAXTE-CYBMUJFWSA-N 383.470 0.673 0 40 GCAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247540050 RZBXGYZDCJDYNT-CQSZACIVSA-N 378.454 0.793 0 40 GCAB Cc1nonc1CNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@H]1O3 248019877 LLGMRCDAFLBVQV-OLMMMNRUSA-N 381.392 0.371 0 40 GCAB CN(C)c1cc(N2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)ncn1 248081049 CPSFIMDHUGUGCI-OAHLLOKOSA-N 375.473 0.919 0 40 GCAB CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)CC[C@H](N)C(=O)O 257203558 AQQNVYALBMYPBH-AWEZNQCLSA-N 389.456 0.316 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC 408700604 ISNFCPOGFIFYIU-UHFFFAOYSA-N 383.470 0.721 0 40 GCAB Cn1ccnc(N2CCN(C(=O)N=c3nc(C(C)(C)C)[nH]s3)CC2)c1=O 530810266 ODNSYMYXXJIUSM-UHFFFAOYSA-N 377.474 0.705 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1C 575420994 GBZOHQMHDVLKEH-HUUCEWRRSA-N 391.511 0.143 0 40 GCAB CN(C)C(=O)CN1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1565548485 DVHCDCCMXIKJIN-MRXNPFEDSA-N 375.416 0.050 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(N2CCSCC2)CCOCC1 1888856545 SCFYZESVKHWOKO-UHFFFAOYSA-N 388.559 0.913 0 40 GCAB COCCNC(=O)C1(n2ccnc2)CCN(S(=O)(=O)c2cccnc2)CC1 2055708211 VFMQIPZQQWITFX-UHFFFAOYSA-N 393.469 0.221 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCn3c(COCc4cccnc4)nnc3C2)c1 2055718352 FXKUYEDPTOEZIB-UHFFFAOYSA-N 389.441 0.328 0 40 GCAB Cc1ccc(C(=O)N2C[C@H]3O[C@@H](C2)[C@H]2[C@@H]3CN(CCN(C)C)S2(=O)=O)o1 2055739425 XLOLDIHRFSVOIL-DMRZNYOFSA-N 383.470 0.003 0 40 GCAB Cc1ccn(-c2ccc(N3CCN(CC(=O)N4C[C@H](C)O[C@H](C)C4)CC3)nn2)n1 2086886895 AOCBUAZDDOOCAC-CALCHBBNSA-N 399.499 0.729 0 40 GCAB CCC(CC)CN1C[C@@H]2C[C@H](NC(C)=O)CN2C(=O)[C@@H]1CNC(=O)C1CC1 2332242017 ORBCZPVKXDGLPW-BZSNNMDCSA-N 378.517 0.739 0 40 GCAB CN(C(=O)COC(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCS(=O)(=O)C1 6169343 BUNHVYORPCCQTQ-NSHDSACASA-N 379.390 0.595 0 40 GCAB CCN1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)CC1 6953310 RRRJIWGTNGKXBH-UHFFFAOYSA-N 385.486 0.634 0 40 GCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7686359 MPAJIWKEWQMGSI-GFCCVEGCSA-N 390.483 0.851 0 40 GCAB COC(=O)/C=C/c1ccc(OCC(=O)N(C)CC(=O)NC2CC2)c(OC)c1 12789577 QVIHYXFEADMGFT-WEVVVXLNSA-N 376.409 0.997 0 40 GCAB C[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 14069275 DAGUGPCRVJORKW-HOCLYGCPSA-N 394.497 0.407 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCNC4)CC2)cc1 19711261 YCGDNGGEBYTMRP-UHFFFAOYSA-N 377.470 0.958 0 40 GCAB CN(C(=O)COC(=O)c1cccnc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 32823829 QRISCPBVWRHFTD-CYBMUJFWSA-N 381.454 0.484 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 41167239 PGUVJHAAVXWBHU-HUUCEWRRSA-N 379.482 0.827 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 44226025 IVDFTMSWBDFYSD-WDEREUQCSA-N 380.426 0.050 0 40 GCAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96036906 JFXSGQBWYZJDAU-OAHLLOKOSA-N 396.513 0.934 0 40 GCAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 245241452 DWUBVTFHAOGKPT-OUAUKWLOSA-N 379.486 0.993 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 253394159 AMQVSSWTAHFRCB-UHOFOFEASA-N 394.449 0.955 0 40 GCAB CS(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)CC1 552577653 TZEUYVKAMTZSFU-UHFFFAOYSA-N 396.874 0.694 0 40 GCAB O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)N[C@@H]2CCS(=O)(=O)C2)C1 575422370 VDTIWKZFARMBKO-CABCVRRESA-N 376.475 0.507 0 40 GCAB COCc1noc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)CC2)n1 585085567 PKPUWIWJMDQTEN-AWEZNQCLSA-N 377.445 0.261 0 40 GCAB Cc1snnc1C(=O)N1CCOC[C@]2(CCN(Cc3nccn3C)C2)C1 585113558 QPLYCWOAZBIPOQ-KRWDZBQOSA-N 376.486 0.945 0 40 GCAB CN(C)[S@](C)(=O)=NC(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1 585138512 XQFDKZXLWICYPX-XMMPIXPASA-N 385.471 0.936 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(N)=O)c1 2624623 QOYNMHHYNCVIJM-UHFFFAOYSA-N 383.470 0.959 0 40 GCAB Cn1c(=O)c2[nH]c(NCCCOC(=O)c3ccccc3F)nc2n(C)c1=O 4741379 WAZNSZASSLWKCR-UHFFFAOYSA-N 375.360 0.758 0 40 GCAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 5361061 ZSFVYEXRNXGURW-GFCCVEGCSA-N 384.392 0.557 0 40 GCAB CC(=O)NCCOC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7982422 RDKSONCZLDKHIX-ZDUSSCGKSA-N 379.438 0.527 0 40 GCAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(=O)[nH]n1 9908491 BCRZQGDCVWIMPP-UHFFFAOYSA-N 389.371 0.910 0 40 GCAB O=C(CN1CCN(C(=O)CCNC(=O)c2ccccc2Cl)CC1)NC1CC1 12593980 LRXVGRAKBRHHJA-UHFFFAOYSA-N 392.887 0.883 0 40 GCAB CCOc1ccccc1NC(=O)CN1CCN(c2ncnc3c2nnn3C)CC1 13533763 KQMLSRHPOPIMRN-UHFFFAOYSA-N 396.455 0.918 0 40 GCAB CCN1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 13629015 XUJSTVVTCPBZAX-UHFFFAOYSA-N 386.496 0.819 0 40 GCAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15364014 FAKXLBDXJVGBNF-UHFFFAOYSA-N 392.481 0.505 0 40 GCAB O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc2C1 19014483 FZYOPWFPPFIVCC-BBRMVZONSA-N 386.452 0.972 0 40 GCAB COc1nn(Cc2cc(O)nc(N(C)CCN(C)C)n2)c(=O)c2ccccc12 19717539 MBAVWLOVUUYTJG-UHFFFAOYSA-N 384.440 0.947 0 40 GCAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1 24489629 DGIPSTFSAOYBMC-UHFFFAOYSA-N 390.421 0.463 0 40 GCAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1ncnc2nc[nH]c12 32865969 JTQONBNHDIIXIU-VIFPVBQESA-N 376.398 0.845 0 40 GCAB CN(C(=O)COC(=O)CCc1nc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 32922198 MKOSOCIHOJOXDL-NSHDSACASA-N 387.458 0.488 0 40 GCAB Cc1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O 49409316 JMSHHTZAFZEQML-UHFFFAOYSA-N 391.449 0.816 0 40 GCAB Cc1nccn1-c1ccc(=O)n(CCNC(=O)Cn2cnc(C(C)C)cc2=O)n1 77197027 VXZOVNFVUKSKAE-UHFFFAOYSA-N 397.439 0.234 0 40 GCAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(S(=O)(=O)N2CCOCC2)C1 95999325 YNWOFBZSCNONLY-UHFFFAOYSA-N 395.481 0.010 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1F)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 519587371 XGMSGZWUTPNTNO-GXTWGEPZSA-N 390.458 0.282 0 40 GCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCN(S(C)(=O)=O)CC1 552578747 WOCDZONZWGSVAQ-UHFFFAOYSA-N 376.456 0.349 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NCc1cn(-c2cccnc2)nn1 575618147 JPAWQPKBFFYAOV-UHFFFAOYSA-N 379.423 0.989 0 40 GCAB O=C(CN1CCOCC1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111217 JPPQQVCRINFXKR-UHFFFAOYSA-N 380.399 0.859 0 40 GCAB CCN1CC(=O)NCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC1=O 643570157 NXHPWWZHZADIMC-ZDUSSCGKSA-N 377.397 0.007 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCCN1CCCC1=O 3423460 MFUZJRVVTKRCGF-FQEVSTJZSA-N 384.436 0.509 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC(C)C)c1 4357627 WVZCLCXSTDYFIQ-INIZCTEOSA-N 397.497 0.681 0 40 GCAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)CCC3 6759672 LUHUOIAIXGWMSN-UHFFFAOYSA-N 377.466 0.982 0 40 GCAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)no1 9665576 FGLFYVAHFVQBNT-KRWDZBQOSA-N 396.367 0.364 0 40 GCAB CCCCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n(C)c(=O)n(C)c21 11845440 FBXFJWHQSWOIBC-UHFFFAOYSA-N 389.456 0.176 0 40 GCAB CC(=O)c1cccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)c1 32682506 ITXXJFOJYJNZKS-UHFFFAOYSA-N 399.451 0.961 0 40 GCAB O=C(CNC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc2[nH]c(=O)[nH]c2c1 32754188 HOWPBUVQSQTIAE-UHFFFAOYSA-N 396.407 0.456 0 40 GCAB CS(=O)(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCCCO3)CC1 48265036 BTAYZFILCUBCFA-UHFFFAOYSA-N 383.470 0.155 0 40 GCAB Cc1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)c1 49409318 CQZKBGZDYZZWQP-UHFFFAOYSA-N 391.449 0.816 0 40 GCAB NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2O1 79107462 KLOWICFELLWJIY-SJLPKXTDSA-N 381.432 0.709 0 40 GCAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO 95461415 BRUVMNDBELXQMG-MLGOLLRUSA-N 395.481 0.733 0 40 GCAB COCCn1ccc(C(=O)N2CC3(CC[C@@H](CN4CCCC4=O)CO3)C2)n1 575405037 QQBIKVZEEBBEKH-HNNXBMFYSA-N 376.457 0.773 0 40 GCAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 583652324 ZRRJRCJMOMIWGI-LLVKDONJSA-N 378.406 0.930 0 40 GCAB O=C(CN1CCOCC1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111080 COMJXQRCYNDZLT-UHFFFAOYSA-N 384.484 0.874 0 40 GCAB O=C(O)COc1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 621539818 ZQWBXTNZHYOAOH-AWEZNQCLSA-N 382.438 0.790 0 40 GCAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCNC1=O 643555489 VFPURBBBQIXFCH-KGLIPLIRSA-N 391.424 0.299 0 40 GCAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(S(=O)(=O)c2cn(C)cn2)C1 2055750747 VPBLBDZYMZAZMK-INIZCTEOSA-N 381.433 0.551 0 40 GCAB O=C(CC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1 1568365 XJJXTJHHITWGDG-UHFFFAOYSA-N 394.479 0.864 0 40 GCAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NN3CCN(C)CC3)cc2)C[C@@H](C)O1 3169766 ITRBFUSDYJATBK-HUUCEWRRSA-N 396.513 0.377 0 40 GCAB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1 4373750 KWKKPWHGCJUURR-GOSISDBHSA-N 395.463 0.945 0 40 GCAB Cn1c(=O)c2nc(SCC(=O)Nc3ccccc3F)n(C)c2n(C)c1=O 4570992 GOYYIPJDHACBIT-UHFFFAOYSA-N 377.401 0.841 0 40 GCAB C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl 4829899 GQSWAEGTXREGEL-SNVBAGLBSA-N 375.816 0.965 0 40 GCAB CC(=O)N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 9661376 ALRFJXOKVIYRSC-UHFFFAOYSA-N 379.420 0.980 0 40 GCAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1 9751929 NATUTRVMVVPMNF-UHFFFAOYSA-N 383.426 0.424 0 40 GCAB C[C@@H]1CC(=O)NN1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12813500 SGHVWWYFKYVXJB-CUXKMMBLSA-N 392.481 0.257 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2cccnc2Cl)CC1 12890632 QDAVLYCRHHLEPI-UHFFFAOYSA-N 375.834 0.888 0 40 GCAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCC(=O)NC(N)=O)cnc12 16284014 BCLYYOCAHMSKID-UHFFFAOYSA-N 389.393 0.361 0 40 GCAB COC(=O)CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 32641516 MEPJSOBOTXWFPZ-CQSZACIVSA-N 399.465 0.825 0 40 GCAB O=C(CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 32693464 VVUMMCZLEXTWQM-CYBMUJFWSA-N 394.428 0.639 0 40 GCAB CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 32718857 KALNIUWMTLHZHA-OAHLLOKOSA-N 388.511 0.326 0 40 GCAB CC(=O)[C@@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 33830537 ATMZVVNNICECKQ-ZBAHZVPKSA-N 380.481 0.831 0 40 GCAB biogenic COCCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cn1 95452061 LGNYDTHVVGAAKT-UHFFFAOYSA-N 377.401 0.655 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Cl)[nH]c(=O)c3)CC2)no1 96007091 VRTIIDQEDKYPEP-UHFFFAOYSA-N 379.804 0.721 0 40 GCAB Cc1cnc(C(=O)N2CC[C@@]3(COCc4cnc(N5CCOCC5)nc43)C2)cn1 96080353 FGKDUPUUNZHWHR-FQEVSTJZSA-N 396.451 0.726 0 40 GCAB CC(C)C[C@@H]1N[Sn]2(N[C@H](CC(C)C)C(=O)O2)OC1=O 196001502 QISVAQMAPFWLEN-XBAYFCCHSA-L 377.029 0.544 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CC1 253398000 GJTWGXRTHXYCOE-GFCCVEGCSA-N 389.861 0.620 0 40 GCAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408653759 FRHDVIGBUDBSBW-BMEPFDOTSA-N 384.388 0.984 0 40 GCAB CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3cccc(OC)c3)CC2)CCO1 585286702 QJQSOIMCDUWXRD-IBGZPJMESA-N 377.485 0.863 0 40 GCAB O=C(CCn1cc(Br)cn1)NC[C@H]1CC2(CCNCC2)C(=O)O1 1522947634 RPSRBSFDWSHBEY-GFCCVEGCSA-N 385.262 0.837 0 40 GCAB COC(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OC 1330322 QSBWYPLQTKFIJI-UHFFFAOYSA-N 378.472 0.368 0 40 GCAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCCN1CCCC1=O 3423456 MFUZJRVVTKRCGF-HXUWFJFHSA-N 384.436 0.509 0 40 GCAB COc1ccc(Cl)cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 3512897 YTUUMPNGMCLRNL-UHFFFAOYSA-N 381.772 0.368 0 40 GCAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(C)c(C)c1 4945677 JBXPCYNNBSCDFD-ZDUSSCGKSA-N 387.440 0.532 0 40 GCAB CC(=O)Nc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 6596430 HZLANKIJZUNLSN-UHFFFAOYSA-N 376.369 0.457 0 40 GCAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)Cc2ccccc2)C1=O 7778997 QUCPZFKCCYIECO-UHFFFAOYSA-N 389.408 0.526 0 40 GCAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCCO1)c(=O)n2C 9571763 XFZXMPDCYUQUMO-ZDUSSCGKSA-N 390.440 0.352 0 40 GCAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12821074 IISGCKTXFPUDIB-CYBMUJFWSA-N 396.403 0.544 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)Cn2nc(C)c3ccccc3c2=O)CC1 13010175 PXAZEIJEEKEJRR-UHFFFAOYSA-N 392.481 0.635 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 16229576 UJWRSMHIZVCIQO-UHFFFAOYSA-N 378.454 0.436 0 40 GCAB C[C@]12C(=O)N(CCN3CCOCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 20113144 OFKLLQNANHTPDU-NRFANRHFSA-N 382.464 0.942 0 40 GCAB biogenic Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 22935056 VMBXKDVFHQCMLX-UHFFFAOYSA-N 382.530 0.515 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1 48289977 SBSRYRXXAODVBK-AWEZNQCLSA-N 393.465 0.891 0 40 GCAB C[C@@H](NC(=O)C[C@@H]1OCCc2ccsc21)C(=O)N1CCS(=O)(=O)CC1 67279175 FWKWFLILULXJLD-YPMHNXCESA-N 386.495 0.514 0 40 GCAB COc1ccc(OC)c(NC(=O)[C@H](C)N(C)C[C@H](O)CN2CCN(C)CC2)c1 95446777 YCIKQMVCFZGRDT-HOTGVXAUSA-N 394.516 0.571 0 40 GCAB Cc1nc(CN2CCNC(=O)C23CCN(C(=O)c2ccnnc2)CC3)cs1 96077190 JRISTEBPFXCNDT-UHFFFAOYSA-N 386.481 0.848 0 40 GCAB CCN(CC)C[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 97104235 LBGRECITVLBACR-AWEZNQCLSA-N 377.532 0.615 0 40 GCAB CC1=C(C(N)=O)CC2(CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)O1 257261282 LGOCLORYBVHHCH-UHFFFAOYSA-N 379.438 0.488 0 40 GCAB OCCOCCOc1ccc(CNC[C@@]2(O)CCN(c3cnccn3)C2)cc1 257266619 MDSXBEURHUDGDY-FQEVSTJZSA-N 388.468 0.595 0 40 GCAB COCCN1CC[C@]2(CN(C(=O)c3ccnn3C)C[C@@H]2c2cn(C)cn2)C1=O 306141035 VJNRHNGWHLYVKE-AUUYWEPGSA-N 386.456 0.258 0 40 GCAB COCCn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314288 SLSAZGPMWYMNMP-ZDUSSCGKSA-N 375.429 0.592 0 40 GCAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 4370770 RYFLMPSZHCYBBB-NSHDSACASA-N 399.407 0.778 0 40 GCAB CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@H]1c1ccccc1 5235730 WMDAFCBUXSVBMG-DDKJEQMHSA-N 386.429 0.923 0 40 GCAB CN(C)C(=O)[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 7112425 IWLWMRDBEKLXCY-OAHLLOKOSA-N 389.433 0.857 0 40 GCAB CC(C)=CCCC(=O)C(C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O 8655811 MMLAYHHFMUWLML-UHFFFAOYSA-N 396.371 0.119 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)cnc21 10280910 LDZQTXHCDFAABM-UHFFFAOYSA-N 380.452 0.911 0 40 GCAB C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)c(F)c1 12579052 YOIPIWMJCUMULP-VIFPVBQESA-N 377.351 0.589 0 40 GCAB COC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13721142 AJJQODUZNPBASG-AWEZNQCLSA-N 390.889 0.864 0 40 GCAB CN(CCc1ccccn1)C(=O)C1CN(C(=O)Cn2nnc3ccccc32)C1 19748678 XBPODJRXGWUSEC-UHFFFAOYSA-N 378.436 0.986 0 40 GCAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 25360994 HEPNQLJBABSYJE-HUUCEWRRSA-N 383.445 0.976 0 40 GCAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 54359489 GQDXMMOQGHEPTL-CRAIPNDOSA-N 386.496 0.911 0 40 GCAB Cc1cccc(CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 58177974 GIYLFPNZJHLQDP-OAHLLOKOSA-N 377.466 0.819 0 40 GCAB CN1C(=O)c2ccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2C1=O 58217150 ZHRZOKXLSLNZPA-LLVKDONJSA-N 380.426 0.458 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 95407671 NONKPKVYZBXMIR-ZIAGYGMSSA-N 376.388 0.343 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccc(-c3ccncc3)n2)CC1 96098804 SUVTYGYTDPEIGF-UHFFFAOYSA-N 377.470 0.733 0 40 GCAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](Cn1cncn1)c1ccccc1 106531860 QHVGNVJAIXHOPM-CVEARBPZSA-N 393.469 0.881 0 40 GCAB CCCOc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 219150511 WFFBHHYDBRKHJC-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB O=C(O)c1nn(-c2ccc(Br)cc2)nc1N1CCN(CCO)CC1 256048219 RMPDTSSGJZVOHX-UHFFFAOYSA-N 396.245 0.842 0 40 GCAB CCN(CCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)S(C)(=O)=O 517465916 BOSLFZFFCWXBTK-UHFFFAOYSA-N 392.481 0.744 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3cn(Cc4ccccc4)nn3)C[C@@H]12 585101361 BPYOISVCYOVBHV-ZNMIVQPWSA-N 391.453 0.602 0 40 GCAB COC(=O)CC1(NS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 1561346321 IHGSLATYQJPDEI-UHFFFAOYSA-N 391.490 0.859 0 40 GCAB Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 1094334 UBAVJPOSSMUBKY-UHFFFAOYSA-N 389.843 0.972 0 40 GCAB biogenic Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 1862567 VGCSWFPETPIPSN-AWEZNQCLSA-N 386.261 0.352 0 40 GCAB Cc1cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)c2c(C)c(C)c(=O)oc2c1 2097998 INISDAFCPAHIRD-GFCCVEGCSA-N 390.392 0.803 0 40 GCAB biogenic Cc1c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)cnn1C 2806639 YTCCLARHEIAYHJ-CYBMUJFWSA-N 380.474 0.179 0 40 GCAB CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O 8206873 SSPNXOKNELOAIO-UHFFFAOYSA-N 378.816 0.799 0 40 GCAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccn1 12163412 WXBHKBNSFQGOQL-UHFFFAOYSA-N 389.481 0.749 0 40 GCAB CN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 12931922 XTZLHGIFJIQYJZ-AWEZNQCLSA-N 386.495 0.658 0 40 GCAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1OC 13532477 IXEQXUGBISJPBN-UHFFFAOYSA-N 383.412 0.738 0 40 GCAB COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@@H](C)O 14113926 RQVWBADQFBHKTB-IUODEOHRSA-N 384.454 0.432 0 40 GCAB COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(N)=O 19871837 DPLRVQNARLTEMJ-UHFFFAOYSA-N 393.465 0.539 0 40 GCAB CC(C)C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)N1CCOCC1 22970216 IVFZMMZDBVJQIQ-HNAYVOBHSA-N 380.489 0.570 0 40 GCAB CN(C)CCCNC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 36597189 WRCNJYBINGJRFN-CQSZACIVSA-N 390.440 0.888 0 40 GCAB CC(C)n1nccc1NC(=O)CN1CCN(c2ncnc3c2cnn3C)CC1 40040772 ZHOMTBWPPAFDJJ-UHFFFAOYSA-N 383.460 0.901 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@H](C)O1 40081073 KAXPPYUKGMGILD-WHJWBVKISA-N 383.470 0.791 0 40 GCAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 48410113 OUKPULRSQBWQHI-UHOFOFEASA-N 396.513 0.288 0 40 GCAB COCCCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 52527416 LICQJIQXQLWGAZ-KRWDZBQOSA-N 395.887 0.940 0 40 GCAB CC(C)CCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103067508 UOLFXOWAJHEKHJ-BETUJISGSA-N 381.429 0.577 0 40 GCAB Cc1cc(Cn2c(=O)c(C)cn([C@@H]3C[C@H](O)[C@@H](CO)O3)c2=O)c2ccccc2n1 108146482 HVDOYRQARCIKRC-OTWHNJEPSA-N 397.431 0.864 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 408603580 LAZTXVISGJUBIQ-HNNXBMFYSA-N 399.513 0.591 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2ccc(-c3ccccc3)n2C)NC(=O)NC1=O 1616034973 INDODOUZRSSXLZ-FQEVSTJZSA-N 392.419 0.890 0 40 GCAB Cc1cc(N2CCN(c3nccn4c(C)nnc34)CC2)nc(N2CCOCC2)n1 1889175253 UNLHMHZBQTUBCZ-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB O=C(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccccc3)CO[C@H]12)c1cncnc1 4200780 MOTNMKNTVPYPTC-CAOSSQGBSA-N 395.379 0.393 0 40 GCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O 7686208 YAHRTTPSGYGJEN-CQSZACIVSA-N 376.456 0.509 0 40 GCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](O)C3)CC2)Nc2ccccc21 12085625 WLBSWRSNQXUBDR-VLIAUNLRSA-N 386.452 0.534 0 40 GCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](O)C3)CC2)Oc2ccccc21 12085717 VKROHCJVTNVRBR-JLTOFOAXSA-N 387.436 0.501 0 40 GCAB CN(C(=O)COC(=O)c1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 19481024 UZWWMHIYPKLSCF-OAHLLOKOSA-N 394.449 0.616 0 40 GCAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCN(CCO)CC1 20647482 AEULXUYZZVFMCJ-JLHYYAGUSA-N 381.479 0.921 0 40 GCAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)N1CCOCC1 21156178 USEDUSWPQINGBM-MRXNPFEDSA-N 376.482 0.893 0 40 GCAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)NCc1ccco1 23128125 YFRGEAYZDOEZNF-UHFFFAOYSA-N 377.382 0.164 0 40 GCAB CC(=O)n1c(SCC(=O)Nc2cccc(N)c2)nnc(CCC(=O)O)c1=O 35682810 IRHJUHBPDWVUCN-UHFFFAOYSA-N 391.409 0.629 0 40 GCAB Cn1c(=O)c2c(ncn2CCNc2ccc(F)cc2OCCO)n(C)c1=O 58192089 XZMWIMHFNVKSSZ-UHFFFAOYSA-N 377.376 0.056 0 40 GCAB C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)CN1CCCC1=O 70004507 JIYQVYHVDCUVPJ-IAQYHMDHSA-N 376.379 0.935 0 40 GCAB O=C(Nc1nc2c(s1)CN(C(=O)CN1C(=O)CCC1=O)CC2)c1ccccn1 77145211 OFQDJFJVUACROV-UHFFFAOYSA-N 399.432 0.824 0 40 GCAB Cc1cc(C)nc(NCCCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 79485538 IPENKKCYRTVAOV-INIZCTEOSA-N 395.529 0.617 0 40 GCAB CNC(=O)[C@H]1COC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)CN1CC1CC1 575406232 WEGJWUHKWSKWMX-SJLPKXTDSA-N 385.464 0.428 0 40 GCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 575425671 GJTFDVAEOOWMRR-GFCCVEGCSA-N 376.456 0.348 0 40 GCAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(C(=O)c4ccnc(F)c4)C[C@H]3O2)CC1 585109424 OLNFDXWTPJEHLR-HRCADAONSA-N 376.432 0.614 0 40 GCAB O=C1CN(C2CCN(S(=O)(=O)N3CCCC3)CC2)C(=O)N1CC(F)(F)F 585148550 ZFWLLPMMZCJOTD-UHFFFAOYSA-N 398.407 0.618 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCN1C 585168391 IHEUYRSGHKFPSV-CYBMUJFWSA-N 380.832 0.527 0 40 GCAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cncn2)C3)cc1C(N)=O 824704411 GCKWRKYCIGUMRS-RYUDHWBXSA-N 391.453 0.942 0 40 GCAB CC[C@](O)(C(=O)OCc1ccc(N2C(=O)CC[C@]2(O)C(=O)O)cc1)[C@H](C)O 1772591211 LTKIIGKZQKJIIY-PDSMFRHLSA-N 381.381 0.152 0 40 GCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(F)c2)c(=O)n(C)c1=O 2632464 LIWBNZAGIOHSJU-UHFFFAOYSA-N 377.372 0.964 0 40 GCAB Cc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2c(N)[nH]c(=O)[nH]c2=O)c(C)c1 8990795 CIFOBVMOFKWTDD-UHFFFAOYSA-N 380.364 0.454 0 40 GCAB COC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 12801956 XCPWUGHQLKQBMA-OAHLLOKOSA-N 384.454 0.635 0 40 GCAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12928382 KPKNGVPQJNRCHY-UHFFFAOYSA-N 390.465 0.579 0 40 GCAB O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc2C1 19014487 FZYOPWFPPFIVCC-XJKSGUPXSA-N 386.452 0.972 0 40 GCAB CCCCn1nc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)ccc1=O 27431712 NUPTUGJMFFTWHI-UHFFFAOYSA-N 395.437 0.927 0 40 GCAB O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(Br)c[nH]2)CC1 29088568 REPMIAKFHLTSJS-UHFFFAOYSA-N 385.262 0.394 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NCCCO)n2CC(C)C 32801976 UKTNGQVLYLRJKK-UHFFFAOYSA-N 393.488 0.774 0 40 GCAB Cn1c(=O)c2c(ncn2CCN[C@H](C[S@](C)=O)c2ccccc2)n(C)c1=O 95462660 BSBARUDAOFJNGK-LOKFHWFJSA-N 389.481 0.143 0 40 GCAB COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3cccnc3)C2)cc1 96004145 CQDHUTJZIWCCNE-UHFFFAOYSA-N 376.438 0.963 0 40 GCAB CNC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccc(F)cc2)N(C2CC2)C(=O)[C@H]13 100466340 ZDLFAXSVZWDOTC-NKJJTKGUSA-N 399.422 0.501 0 40 GCAB O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102505475 AFNIWSWAXBXXGT-GVARAGBVSA-N 392.371 0.627 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206839435 JSTNSGBKJDILFA-CQSZACIVSA-N 397.391 0.602 0 40 GCAB COCCN1C(=O)CN(C2CCN(CC(=O)Nc3cc(C)on3)CC2)C1=O 253403754 QJXZKCMTGCBNAU-UHFFFAOYSA-N 379.417 0.297 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)C 257200506 ADPLKUXMWLURQL-MRXNPFEDSA-N 388.468 0.960 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2ccccc2)o1 3315915 YFUDWPVBZNUDBR-GFCCVEGCSA-N 390.421 0.719 0 40 GCAB Nc1nccnc1C(=O)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 5040516 BCBIVBKMCPSAJH-CYBMUJFWSA-N 396.469 0.564 0 40 GCAB C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C(=O)NC(N)=O 7166387 JOQWMKCTAWRAFW-VIFPVBQESA-N 391.833 0.323 0 40 GCAB O=C(Nc1nnc(C2CC2)s1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9490991 UHTZRQPGXQEVGJ-VIFPVBQESA-N 383.455 0.520 0 40 GCAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)C3=NNC(=O)CC3)C1)CNC2=O 12086775 PETVFQHPFYKUMW-LJQANCHMSA-N 386.408 0.445 0 40 GCAB CCOC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CCN(C)CC3)NC2=O)cc1 13722160 MQOHTDXOWHRKTM-OAHLLOKOSA-N 387.440 0.294 0 40 GCAB Cc1c([C@H]2C[C@@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C 72335090 PFQOIUFLEYRMNC-SJORKVTESA-N 391.497 0.667 0 40 GCAB COc1cc(NS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)ncn1 95444308 SEFRMESCYXXRPL-UHFFFAOYSA-N 376.398 0.994 0 40 GCAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 95995685 BRRYNQARMWCZGA-UHFFFAOYSA-N 395.466 0.986 0 40 GCAB CC(C)N1CCC2(CC1)c1nnc(C(=O)N3CCN(C)CC3)n1CCN2C 306123634 ASRHHKWGDATKEU-UHFFFAOYSA-N 375.521 0.311 0 40 GCAB C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408614341 BBZGUXGBHPUJPB-LSDHHAIUSA-N 389.452 0.538 0 40 GCAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4155240 VWGAURLPXKOXOZ-RQJABVFESA-N 380.378 0.104 0 40 GCAB O=C1CCCN1C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 12239356 UNQZMYIRHRAXNY-LBPRGKRZSA-N 378.454 0.879 0 40 GCAB CCn1cc(C(=O)N[C@@H](C)C(=O)NCCOC)c(=O)c2cc3c(cc21)OCO3 13625416 BKVHQZJQLNCEHY-NSHDSACASA-N 389.408 0.631 0 40 GCAB CCN1CCC[C@@H]1CNC(=O)c1nc(COc2ccc(CC(N)=O)cc2)no1 20723617 VCKNROZZEHASKQ-CQSZACIVSA-N 387.440 0.891 0 40 GCAB COCCNC(=O)CSc1nnc(N2CCN(C(=O)C3CC3)CC2)s1 23141858 YXFWLVUODNRGEL-UHFFFAOYSA-N 385.515 0.451 0 40 GCAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(N)=O)CC2)C1=O 32174876 GGPFJZRIVBSYAF-HXUWFJFHSA-N 386.452 0.958 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3=NN(c4ccccc4)C(=O)C3)ccc21 32610498 HXCBOHMUEMOYPE-UHFFFAOYSA-N 399.432 0.906 0 40 GCAB O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O 35315271 HIZFNXQAVGLSCS-HOTGVXAUSA-N 375.402 0.940 0 40 GCAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N(C[C@@H]1CCOC1)C1CC1 40107952 GZUKVSNIKDIKNC-ZDUSSCGKSA-N 384.454 0.942 0 40 GCAB NS(=O)(=O)c1ccc(C(=O)NCCNc2cc(-n3cccn3)ncn2)cc1 56903911 UJDRVGYYLNEVQA-UHFFFAOYSA-N 387.425 0.152 0 40 GCAB C[C@H](CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)CN1CCCC1=O 70004514 JIYQVYHVDCUVPJ-ABAIWWIYSA-N 376.379 0.935 0 40 GCAB Cc1csc([C@](O)(CC(=O)NC[C@@H](O)CN2CCCC2=O)C(F)(F)F)n1 72311675 WQRPEWOSEURZIA-QMTHXVAHSA-N 395.403 0.691 0 40 GCAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O 96036563 VALSPKBTBFMAQU-QGZVFWFLSA-N 386.518 0.264 0 40 GCAB CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3cccn(C)c3=O)sc2C1 96335205 QAVZBBXRBQINIL-UHFFFAOYSA-N 397.482 0.259 0 40 GCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)cn1 97012711 NPRMYXUCCZOXFW-OAHLLOKOSA-N 378.410 0.513 0 40 GCAB COc1ccc(CNC(=O)CN2CCN(c3ccc4nncn4n3)CC2)cc1 106093456 HFFPUSLRYCBZDF-UHFFFAOYSA-N 381.440 0.571 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)CC1 244975054 HZTQEOPOFXEQPO-SHTZXODSSA-N 382.486 0.954 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1 257274634 NLYCMYVYDQLOQB-IBGZPJMESA-N 377.489 0.378 0 40 GCAB COCCN1C[C@@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)CC1=O 257304862 SNLIINVLUSBECS-AWEZNQCLSA-N 391.472 0.312 0 40 GCAB Cc1cncc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)c1 306125008 CELVKJLCKBSDEB-CVEARBPZSA-N 381.436 0.778 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCO)Cc1ccc(Br)cc1 408606274 HZYDCMSYJMYEBA-UHFFFAOYSA-N 379.276 0.709 0 40 GCAB COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1csnc1C(=O)OC 533552524 ABLXNFYSPNKIIO-JTQLQIEISA-N 392.455 0.663 0 40 GCAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(CO)CC2)C1 585290552 CKMRCCBGWNUGFR-MJGOQNOKSA-N 382.888 0.521 0 40 GCAB NC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)C2)nn1 616434271 GZIOWLVXPLOHSB-GFCCVEGCSA-N 381.396 0.854 0 40 GCAB O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cscn3)CC2)cc1 668273293 YNLOTCYBCZPASW-UHFFFAOYSA-N 395.462 0.917 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1(OCCO)CCSCC1 828765463 RPZMQAHOMVDNLJ-UHFFFAOYSA-N 396.465 0.422 0 40 GCAB CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 1872670 ZDRILVFDOCRYIA-INIZCTEOSA-N 396.325 0.625 0 40 GCAB COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 2155186 YYAVVEHWOUBCRK-MMMWYMCRSA-N 378.377 0.859 0 40 GCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCCCO 5252153 XDNKMUMSPACXIK-UHFFFAOYSA-N 383.408 0.745 0 40 GCAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029291 NRULJKMMZGRVGW-HIFRSBDPSA-N 387.479 0.556 0 40 GCAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@H](O)C3)CC2)Oc2ccccc21 12085716 VKROHCJVTNVRBR-XOBRGWDASA-N 387.436 0.501 0 40 GCAB CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 12130485 OFQIRTYVDSPHRS-LSDHHAIUSA-N 381.458 0.700 0 40 GCAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccccn3)CC2=O)c1 20719289 KXWAMZHQRZLXCX-CQSZACIVSA-N 382.420 0.989 0 40 GCAB COc1ccc(CNCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 23989758 KTZSVEUWFWDYLV-UHFFFAOYSA-N 396.451 0.793 0 40 GCAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)cc1 36005126 ASVJMQGLMNNBCW-UHFFFAOYSA-N 391.497 0.982 0 40 GCAB CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)s1 40012305 JNOGYMBCSZKXNG-SECBINFHSA-N 395.437 0.829 0 40 GCAB Cc1ccc(S(=O)(=O)N2C[C@@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3C2)cc1 67897653 WTAXCCXKIASBRH-CVEARBPZSA-N 390.465 0.529 0 40 GCAB biogenic,in-vitro CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 197175521 VWGAURLPXKOXOZ-DGAVXFQQSA-N 380.378 0.104 0 40 GCAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](CO)O[C@H]1OCc1ccccc1 247952445 RHHNTCYTVQANIZ-HVMFNXBNSA-N 395.408 0.289 0 40 GCAB biogenic CN(C(=O)c1ccc(CN)cc1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257289304 PYANXSYTQDXQRY-YCPHGPKFSA-N 381.440 0.704 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(F)cc2)C1 585290449 BIXMQSJLZSNTLS-MSOLQXFVSA-N 380.441 0.712 0 40 GCAB CC(C)OCc1ccc(C(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)o1 1565519240 IXTPEBSSWQBAKG-UHFFFAOYSA-N 376.413 0.966 0 40 GCAB CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2nc(C)nc(N(C)C)n2)C1 1615612423 YFQOHUCRCNCDRC-DOMZBBRYSA-N 377.493 0.954 0 40 GCAB NC(=O)NC(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3379101 ZATGSSUFWJYBGM-BDJLRTHQSA-N 381.385 0.454 0 40 GCAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCO)c2ccco2)cc1 4519025 BGLGOGNUUGGKKW-OAHLLOKOSA-N 380.422 0.328 0 40 GCAB CCOc1ccccc1NC(=O)CSc1nnc(CCC(=O)O)c(=O)n1N 12347515 ZAMBFZOXPOZOEI-UHFFFAOYSA-N 393.425 0.499 0 40 GCAB CCCn1c(CCC(=O)N2CCOCC2)nc2cc(S(N)(=O)=O)ccc21 12520678 AOCGWHXXAMGGHU-UHFFFAOYSA-N 380.470 0.885 0 40 GCAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1CN(CC(=O)N1CCc3ccccc31)C2 19711691 MJTSOJGDXZAZBZ-GHTZIAJQSA-N 384.480 0.635 0 40 GCAB COc1ccc(C(=O)c2c(CN3CCN(C)CC3)n(C)c(=O)n(C)c2=O)cc1 35326760 GCJXNYXKNBDAIX-UHFFFAOYSA-N 386.452 0.071 0 40 GCAB CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)NC(=O)c1ccoc1 40153106 HXPAMEPHFJFAJI-LBPRGKRZSA-N 379.438 0.764 0 40 GCAB CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 72311864 YVRMRQZVANGJLI-LBPRGKRZSA-N 391.490 0.163 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2COC(C)(C)O2)c1 79109802 WQWBEOGQBIZASZ-AWEZNQCLSA-N 384.454 0.825 0 40 GCAB CCC(CC)[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)N1CCOCC1 95401816 DWUMEKCLRKPXDV-HZPDHXFCSA-N 375.535 0.664 0 40 GCAB Cc1nnnn1-c1cc(NC(=O)N[C@H](C)CN2CCN(C)CC2)ccc1F 106945871 WXAIUOBJWPBQSH-GFCCVEGCSA-N 376.440 0.867 0 40 GCAB CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@@H]12 222252077 LAKVTKCYGVWWTR-ROUUACIJSA-N 385.447 0.881 0 40 GCAB Nc1nc(N)c2c(n1)O[C@]1(CCN(C(=O)c3ccccc3OCC(=O)O)C1)C2 257274827 NMUUHWSYBMTKSN-GOSISDBHSA-N 385.380 0.324 0 40 GCAB Cc1cc2ncc(C(=O)N3CCC[C@](O)(CN4CCOCC4)CC3)c(N)n2n1 257289220 PXPNKPVRUMIJRX-LJQANCHMSA-N 388.472 0.309 0 40 GCAB CC(C)[C@@H](C)NC(=O)c1cn2c(nc1=O)[C@@]1(CCN(S(C)(=O)=O)C1)CC2 306131863 KRMSHDYSHZAXOK-SJKOYZFVSA-N 382.486 0.324 0 40 GCAB C[C@@H](Oc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)N1CCOCC1 408605750 NKHCJVZTHNMMJZ-GDBMZVCRSA-N 398.481 0.770 0 40 GCAB Cn1c(=O)nc(O)c2cc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4F)C3)cnc21 565041669 XXEDWDWQFWIBGD-DZGCQCFKSA-N 383.383 0.740 0 40 GCAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nc1 584088619 YBNWIDJGAOPPCA-UHFFFAOYSA-N 384.439 0.232 0 40 GCAB COCc1csc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 618531018 OFJOBLJYUYEEHW-OAHLLOKOSA-N 381.498 0.691 0 40 GCAB CN1C(=O)CN(C2CCN(S(=O)(=O)CCOc3ccccc3)CC2)C1=O 823748661 UKHREQHZLFATPQ-UHFFFAOYSA-N 381.454 0.754 0 40 GCAB Cn1c(C(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)cc2ccccc21 1614930232 UZQDVHDMPLYNJG-RHSMWYFYSA-N 377.466 0.911 0 40 GCAB C[C@@H](O)CNc1nc2c(c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)n1C 838198 DLRWPRBNAIEJDS-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB O=C(NCCO)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 4519441 ALMXRVCHWDKLHK-CQSZACIVSA-N 382.463 0.488 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1NC(C)=O 7667880 JWCSEUDJAKCJHE-UHFFFAOYSA-N 391.453 0.955 0 40 GCAB COc1ccc(OC)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9950419 ODAIRRFZVMTOQI-LLVKDONJSA-N 395.437 0.808 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(=O)O)c(=O)n(C)c3nc2n1-c1ccccc1F 13734102 GCCMFVFTNPVOBK-UHFFFAOYSA-N 385.355 0.979 0 40 GCAB Cc1nc(SCC(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C(N)=O)c(C)c1C 20974433 GEDVOJVPMOVDPP-LLVKDONJSA-N 394.453 0.681 0 40 GCAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccnc1-n1cncn1 47122608 ZICDWQMIPSIDMJ-GJZGRUSLSA-N 382.424 0.844 0 40 GCAB O=C(NCCN1CCS(=O)(=O)CC1)c1cnn(-c2ccc(Cl)cc2)c1 48237007 CJQHTGBYQAZGHK-UHFFFAOYSA-N 382.873 0.986 0 40 GCAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1nc2c(cnn2C)c(=O)[nH]1 57841625 VNICJHBFFWBDHV-UHFFFAOYSA-N 391.453 0.965 0 40 GCAB Cc1cccc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C 58229675 IKBVLQGOADPIHJ-IRXDYDNUSA-N 381.498 0.017 0 40 GCAB CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 89885282 LDTBRLLWQACXEO-AWEZNQCLSA-N 380.532 0.663 0 40 GCAB O=C(Cn1ncccc1=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099470 FCQJTSWSRAIYBF-UHFFFAOYSA-N 379.413 0.847 0 40 GCAB COc1cccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 220175113 FUAGZSUPXDFAJG-AWEZNQCLSA-N 385.486 0.298 0 40 GCAB O=C(COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1)NC[C@H]1CCCO1 408867250 KUPNBMSOFVHXKD-VGVSSDJJSA-N 387.461 0.046 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)CN1S(C)(=O)=O 585103519 HQZZVEBYFCQWAI-OAHLLOKOSA-N 384.502 0.252 0 40 GCAB Cc1nsc(N2CCCN(C(=O)[C@@H](C)n3cnc4c(N)ncnc43)CC2)n1 669316369 ZTTDAURIFVTOFX-SNVBAGLBSA-N 387.473 0.868 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)c1 2055772605 BQYBTLPWPAFERQ-JHJVBQTASA-N 392.441 0.017 0 40 GCAB COC(=O)[C@H](NC(=O)[C@@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 1590917 BMAULSIJZXQEMX-HZPDHXFCSA-N 382.372 0.674 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1 8380614 STPLWPFTLMHDEI-UHFFFAOYSA-N 394.453 0.184 0 40 GCAB O=C(C1CCC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 12694346 PQTPREXYHYQWQK-UHFFFAOYSA-N 394.497 0.551 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)N1CCOCC1 12903419 SVWYABJSMDNJHL-VXGBXAGGSA-N 388.417 0.283 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 14521339 RRRSWWCXFRYTGM-UHFFFAOYSA-N 389.481 0.994 0 40 GCAB Cn1ncc2c(=O)n(CCC(=O)OCc3nc(N)c4ccccc4n3)cnc21 24110520 YMWAHGZIFXEMPL-UHFFFAOYSA-N 379.380 0.789 0 40 GCAB CC[C@H](C)N(C(=O)Cn1nnc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 27333358 WJGZXYPXAUWTQN-STQMWFEESA-N 378.454 0.606 0 40 GCAB O=C(CN1CCCN(C(=O)Cn2cnc3ccccc3c2=O)CC1)N1CCCC1 29024967 ZAIDKRNOKFGNQW-UHFFFAOYSA-N 397.479 0.553 0 40 GCAB COCCn1nc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)ccc1=O 29175851 VZUCYKIHXAPIAI-UHFFFAOYSA-N 385.380 0.194 0 40 GCAB Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 34854506 TZRSLBDFUCAAJD-UHFFFAOYSA-N 391.478 0.970 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38946520 SGABFBPKAIVQJF-CABCVRRESA-N 386.481 0.777 0 40 GCAB C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 44402087 OJZFBNOAGDMBPR-JSGCOSHPSA-N 388.511 0.939 0 40 GCAB CN1CCc2ccc(S(=O)(=O)N3CCN(C(=O)N4CCOCC4)CC3)cc21 79055913 WYUKJPJSKYJLJM-UHFFFAOYSA-N 394.497 0.437 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238838399 HGRDXAKBSLOTFS-KBPBESRZSA-N 378.454 0.361 0 40 GCAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCC(=O)OC 408549457 TYEBFHOHZHXSKR-KPKJPENVSA-N 392.364 0.703 0 40 GCAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408589374 FHJQNPWTHRWFGJ-UHFFFAOYSA-N 399.513 0.448 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc1C(=O)O 507779751 QUXVNSRHYINCCY-NSHDSACASA-N 391.467 0.981 0 40 GCAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 514289215 JPHQLFLOXPHBGF-DLBZAZTESA-N 387.480 0.903 0 40 GCAB biogenic,in-vitro O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12)c1ccco1 575405543 UJAFXFNYYJTXIA-JGGQBBKZSA-N 377.422 0.740 0 40 GCAB COC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 4889220 CXZYHNBMQZRGSN-IUCAKERBSA-N 399.144 0.281 0 40 GCAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc(C(=O)OC)c1 16189946 PEWOWGVUEBFPDV-NSHDSACASA-N 398.437 0.870 0 40 GCAB CCS(=O)(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 19520478 GTVSGCOARAEUOP-GJZGRUSLSA-N 395.529 0.920 0 40 GCAB COC[C@@H](C)NC(=O)C1=CC(c2cc(OC)ccc2OC)=NS(=O)(=O)N1C 20550783 VEOGKCCKCABWBQ-LLVKDONJSA-N 397.453 0.718 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 20768888 FRLAUNZUBKZUBP-UHFFFAOYSA-N 381.841 0.920 0 40 GCAB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc(S(=O)(=O)N(C)C)c1C 22741092 LUNFEMWHXCFIDE-INIZCTEOSA-N 388.511 0.861 0 40 GCAB O=C(Nc1nc2c(s1)CCC2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23040838 JZHKNNMZVOGJQE-SECBINFHSA-N 382.467 0.736 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 24839780 LLWSKXOPPNNJPL-UHFFFAOYSA-N 383.408 0.741 0 40 GCAB O=c1c2ncn(COCCO)c2nc2n1CN(CCc1cccs1)CN2 32093084 SNDRUXWRBSRWNR-UHFFFAOYSA-N 376.442 0.506 0 40 GCAB CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 32937292 QYRPRDQXESGYJV-UHFFFAOYSA-N 390.484 0.531 0 40 GCAB COc1cc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc(C)n1 48985263 DYZDUBQQTCYEMV-UHFFFAOYSA-N 391.453 0.403 0 40 GCAB CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)NC(=O)NC1 54991507 SWTAEUQQIDLJKN-LLVKDONJSA-N 378.351 0.259 0 40 GCAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)n1 58181664 YGZIXVVUFVSZBO-UHFFFAOYSA-N 378.454 0.907 0 40 GCAB Cc1nc2c(c(C)c1CC(=O)N1Cc3ccccc3C[C@H]1C(N)=O)c(=O)[nH]n2C 71100716 OVQDHHGPXTZJTI-INIZCTEOSA-N 393.447 0.860 0 40 GCAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CCN)[C@@H]3CO)cc2)nn1C 72321388 RTKDRBUNZXANIO-SJLPKXTDSA-N 387.440 0.200 0 40 GCAB biogenic,in-vitro Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1 96074558 LKQYSIDEHZMLDZ-MRXNPFEDSA-N 379.442 0.114 0 40 GCAB Cc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1 96121996 GQUREEGFEUJXDV-UHFFFAOYSA-N 388.511 0.555 0 40 GCAB CCOC(=O)c1cnc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1C 556801800 BJANKPWYMPWNID-UHFFFAOYSA-N 388.427 0.045 0 40 GCAB Cn1nccc1C(=O)N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21 585108475 SKPFAJPRHKIBEZ-JFIYKMOQSA-N 378.473 0.531 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O 604381988 XWYAHQBCPREIHI-GRLWTPEZSA-N 392.456 0.081 0 40 GCAB biogenic,in-vitro Cc1ccc(C(=O)N2C[C@H]3C[C@H]4[C@@](C2)(CN(CCN(C)C)S4(=O)=O)O3)o1 1565547003 LVMWOMVRGSBMRQ-UKPHBRMFSA-N 383.470 0.147 0 40 GCAB Cc1cccc(OCC(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)c1 1889125024 UEIYXYFYGZHVDW-UHFFFAOYSA-N 386.452 0.556 0 40 GCAB COc1ccc(-n2nnnc2SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 9613100 UWSCIAWOWALTRD-GFCCVEGCSA-N 397.482 0.409 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nccnc3N)CC2)c(C)c1 14062261 WTTMDKGWXDJYHD-UHFFFAOYSA-N 375.454 0.822 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)C1 26838378 CYNKHMDAWGLULD-HNNXBMFYSA-N 393.469 0.877 0 40 GCAB COc1cc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc(OC)c1OC 32689017 YDTNJCFOWIHQPQ-UHFFFAOYSA-N 377.353 0.604 0 40 GCAB C[C@@H](CN1CCOCC1)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 46884889 WYCAUUGWSLVMKS-VBKZILBWSA-N 386.452 0.217 0 40 GCAB C[C@H](CN1CCOCC1)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 46884891 WYCAUUGWSLVMKS-JLTOFOAXSA-N 386.452 0.217 0 40 GCAB NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 65565339 FPZVMGIIYZCPEX-LBPRGKRZSA-N 395.462 0.187 0 40 GCAB O=C(COc1ncnc2ccccc12)NCCn1nnn(-c2cccs2)c1=O 72341056 SIZDOCKQMQMXCV-UHFFFAOYSA-N 397.420 0.629 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](CO)[C@H](O)[C@@H]1OC(C)=O 253476001 FRTSLPFLUVGQPA-LCWAXJCOSA-N 389.404 0.733 0 40 GCAB CC(=O)N1C[C@@H]2CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn3[C@H]2C1 306128358 GYNGQUAANFXZAB-HOTGVXAUSA-N 381.436 0.918 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(OCC(F)(F)F)o2)CC1 654700048 YJSNUYOZTHOPRX-UHFFFAOYSA-N 388.306 0.192 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@]3(CO2)CN(Cc2ccncc2)CCO3)C1 2056226731 YRKAOAGIVAFOJG-HLIPFELVSA-N 388.468 0.165 0 40 GCAB CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2560844 AKQHYJCXAKMUJP-ROUUACIJSA-N 386.404 0.957 0 40 GCAB COCCCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 4569540 NVNQUIXJVXOQAD-LBPRGKRZSA-N 389.499 0.170 0 40 GCAB COc1ccc(C2=NO[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1OC 5204845 VSGMVVKYDRBYNA-LBPRGKRZSA-N 399.407 0.644 0 40 GCAB COc1ccccc1OCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 8341607 JQWFEHJKONELTE-UHFFFAOYSA-N 377.422 0.688 0 40 GCAB Cc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1S(=O)(=O)N1CCOCC1 12679530 KZNXHWXDOXWAFI-UHFFFAOYSA-N 394.453 0.563 0 40 GCAB O=C1O[C@@H](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 12995993 HYHVNTAAFWCEQC-BBRMVZONSA-N 378.450 0.620 0 40 GCAB CC(C)CNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13060694 LZUNASJDNQQHHD-UHFFFAOYSA-N 397.497 0.536 0 40 GCAB Cn1cc(S(=O)(=O)NCCSCc2ccccc2F)c(=O)n(C)c1=O 14019992 YBQMENBJAQEQOS-UHFFFAOYSA-N 387.458 0.435 0 40 GCAB COCCCN(C(=O)c1ccncc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14246768 FJYZEWOVPPAMSF-UHFFFAOYSA-N 375.429 0.853 0 40 GCAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)CC1 19016818 CTYQBZVHRNTLBD-UHFFFAOYSA-N 384.440 0.353 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 25953240 DJKFJYZWYNDKOQ-UHFFFAOYSA-N 397.453 0.075 0 40 GCAB COCCNC(=O)CNS(=O)(=O)c1ccc(I)cc1 33948824 UDGKNOVABIOYEY-UHFFFAOYSA-N 398.222 0.332 0 40 GCAB COCCNC(=O)CNC(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1 36354060 BFSVAVCXWNWJHS-UHFFFAOYSA-N 381.392 0.273 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1 36360335 SMLJZSZQVXZZQQ-MRXNPFEDSA-N 388.449 0.277 0 40 GCAB CN(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)S(=O)(=O)c1ccc(F)cc1 60241761 SRFHYSRHRPUWED-INIZCTEOSA-N 391.424 0.889 0 40 GCAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccnnc4)CC3)[C@@H]1CN(C(C)=O)C2 96036271 RDIXAUXUJVXDOG-OXJNMPFZSA-N 385.468 0.704 0 40 GCAB CCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(=O)NC)C2 96145247 WDVACQFHCFAFHV-UHFFFAOYSA-N 381.498 0.918 0 40 GCAB COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(OC)c(OC)c1 97141342 YTCASKUHWYNJHR-CYBMUJFWSA-N 385.438 0.435 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 102187717 JIBQCAFLNNMGDC-YUELXQCFSA-N 397.497 0.256 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O 225519627 PSGIAMLEVXXCPN-PRSHDEELSA-N 391.415 0.238 0 40 GCAB biogenic,in-vitro Cc1cc(OC2CN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C2)cc(=O)o1 225696499 ZRDUNEVJQGEJBM-UHFFFAOYSA-N 392.389 0.845 0 40 GCAB COc1nn(C)cc1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 238838949 HJUYWLREOXLXTC-UHFFFAOYSA-N 396.473 0.007 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 257314208 UVTQLNOHSVIKKN-LJQANCHMSA-N 395.525 0.338 0 40 GCAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(CC)cc1 575420756 KGUMGWILDTYOFA-ZIAGYGMSSA-N 390.483 0.439 0 40 GCAB COc1ccccc1CCNC(=O)CNC(=O)CCn1cnc2c(N)ncnc21 614379441 YAQQAOXUYBXLKO-UHFFFAOYSA-N 397.439 0.282 0 40 GCAB COc1cc(OC2CC2)ccc1C(=O)NC[C@]1(c2nccn2C)NC(=O)NC1=O 1615585501 BLYOKFLJMPKBIX-LJQANCHMSA-N 399.407 0.435 0 40 GCAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)N(C)C)C[C@H]4C3)ncn2)n1 2086896532 JXQBKORAYYAGGK-GASCZTMLSA-N 391.501 0.454 0 40 GCAB CNC(=O)[C@]12Cc3c(cc4c(c3OC)OCO4)C[C@@H]1N(C)C(=O)N(C)C2=O 2126221 FRMXGMRPOFLXDY-SGTLLEGYSA-N 375.381 0.147 0 40 GCAB biogenic CCOC(=O)CNC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C 4093174 MUZDFQWSUAAIBJ-UHFFFAOYSA-N 388.453 0.985 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 4249358 UDXQNJSPDUEUQH-GFCCVEGCSA-N 389.456 0.859 0 40 GCAB CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1O 5085272 FZUPKYUANHOYBD-KSOYODCDSA-N 378.377 0.235 0 40 GCAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[C@@H]1CCS(=O)(=O)C1 6231603 LAJHBTFCNHHABM-QLJPJBMISA-N 397.478 0.135 0 40 GCAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 8724436 KPKASYBQTVEITQ-UHFFFAOYSA-N 389.481 0.531 0 40 GCAB COc1ccccc1[C@H]1N=C(N2CCN(CCO)CC2)Nc2nc(C)cc(=O)n21 9289611 WRKHSZYPCSTOBB-SFHVURJKSA-N 398.467 0.499 0 40 GCAB Cn1c(CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc(=O)n(C)c1=O 10536847 BMIFMEYSBAHYHA-KRWDZBQOSA-N 376.800 0.705 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCOCC1 11904700 PEZUOAPAUSNUNC-UHFFFAOYSA-N 388.467 0.391 0 40 GCAB COc1ccc(NC(=O)[C@@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 12131369 YKUKRFDVQPRONU-CVEARBPZSA-N 393.469 0.955 0 40 GCAB C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N1CC(=O)Nc2ccccc21 12818819 VPNGRVDDDBZZQV-RISCZKNCSA-N 395.437 0.327 0 40 GCAB COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19586849 NUBVHDVGVPFZKT-WZTLGTBRSA-N 378.450 0.932 0 40 GCAB NC(=O)C1(N2CCOCC2)CCN(CC(=O)N2CCCc3ccccc32)CC1 19659179 BVCGSKCONVGDQN-UHFFFAOYSA-N 386.496 0.618 0 40 GCAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 22691371 MWDPVWOOZVWOLH-UHFFFAOYSA-N 389.500 0.591 0 40 GCAB CC[C@](C)(CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)N1CCOCC1 31924833 WAIKLCUWYUACSX-YLJYHZDGSA-N 387.484 0.724 0 40 GCAB NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 58194697 PQOHMLAOJDFFKB-HNNXBMFYSA-N 394.497 0.878 0 40 GCAB COc1ccc2cnn(CC(=O)N3CCC[C@@H](C(=O)O)C3)c(=O)c2c1OC 61719416 AQUDGHLBSFAMIA-GFCCVEGCSA-N 375.381 0.737 0 40 GCAB COc1ccc(N2Cc3nn(CC(=O)NC[C@H]4CCCO4)c(=O)n3C2=O)cc1 66091620 QYNMSCDFORLIQP-CQSZACIVSA-N 387.396 0.337 0 40 GCAB CC(C)CCC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2S(C)(=O)=O 96251596 XBTOBESWCUTLFK-UONOGXRCSA-N 380.532 0.472 0 40 GCAB CN(C)CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96263485 SUABENZPSOSSAE-UHFFFAOYSA-N 381.498 0.870 0 40 GCAB Cc1cccnc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O 225511361 PGCTUGMDSLWRTI-UZKILMIQSA-N 391.468 0.014 0 40 GCAB biogenic,in-vitro CCN1CCN(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)C(=O)C1=O 238848634 IXWINTXOZMWSGT-QGZVFWFLSA-N 377.422 0.977 0 40 GCAB O=C(NCCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1)c1cccnc1 257263560 LQNXCYBCSUROOM-FQEVSTJZSA-N 390.484 0.277 0 40 GCAB Oc1ncc(CN2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)c(O)n1 306129431 ICYRSOFZVQTYCS-KDOFPFPSSA-N 388.428 0.540 0 40 GCAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408589886 GHTFSRNILODPHG-OAHLLOKOSA-N 399.513 0.591 0 40 GCAB C[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@]2(CCO[C@@H]2C)O1 560041041 HVYBALTWFQOMIW-MDZRGWNJSA-N 393.488 1.016 0 40 GCAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 575422564 NIOAVOZAAVLSEX-INIZCTEOSA-N 388.511 0.911 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccnc3)C(=O)C2)cc1 618257476 XKXDJROHBAJKRX-UHFFFAOYSA-N 375.406 0.906 0 40 GCAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCC(O)CC2)C1 643551010 PNBGPNCJYYWDDY-PKOBYXMFSA-N 382.888 0.664 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCO1 681942805 QOQHQDXALIIHCI-INIZCTEOSA-N 391.424 0.163 0 40 GCAB Cc1nc(CCNC(=O)[C@@H]2CN(Cc3cncn3C)CC23CCOCC3)no1 1615062926 VUCIOUORYNZAPZ-INIZCTEOSA-N 388.472 0.699 0 40 GCAB COCCOC(=O)Cn1cnc2sc(C(=O)OCCOC)c(C)c2c1=O 1784813 KOOIBAUTJPVVIR-UHFFFAOYSA-N 384.410 0.759 0 40 GCAB CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 1897370 PBAYCGSQTTVJME-OAHLLOKOSA-N 398.297 0.982 0 40 GCAB CNC(=O)[C@@]12Cc3c(cc4c(c3OC)OCO4)C[C@H]1N(C)C(=O)N(C)C2=O 2126220 FRMXGMRPOFLXDY-KZULUSFZSA-N 375.381 0.147 0 40 GCAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3)cc1 4625959 SXUWGICOPJCAPQ-UHFFFAOYSA-N 375.450 0.874 0 40 GCAB CCCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3CC(=O)OC)n(C)c1=O 10330632 RXYSFKQCEUTCLV-UHFFFAOYSA-N 390.444 0.702 0 40 GCAB CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C1 10359876 NSBRDRLIBNSJBE-UHFFFAOYSA-N 396.451 0.832 0 40 GCAB CC(C)[C@H]1NC(=O)N(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1=O 12971489 IMSUEYQMOTZFBR-DZGCQCFKSA-N 385.486 0.521 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)cc1 19660182 XKTXIWNTSNYLAU-CQSZACIVSA-N 395.481 0.587 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H]2Cc2ccccc2)n(C)c1=O 23294689 PWHFCYXYDMDNEC-OAHLLOKOSA-N 381.436 0.667 0 40 GCAB COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@]12C(=O)Nc1ccccc12 32104597 GIAKDTWIFXVOJD-FQEVSTJZSA-N 398.371 0.939 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nncs1 36353331 FTMDJQJSLJHRNF-LLVKDONJSA-N 381.439 0.056 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1 58159745 HDKIBQODIDEUGS-LBPRGKRZSA-N 389.499 0.226 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(-c2ccc(F)cc2)n[nH]1 96025193 LKXMNADVCRXCMT-UHFFFAOYSA-N 394.370 0.783 0 40 GCAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124255 DNAVHYYHEPTISX-MRXNPFEDSA-N 393.407 0.546 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)c3ccc4c(c3)nc(C)n4C)C[C@H]2O)c(O)nc1=O 257226601 FLIBHKROSSTJPL-HZPDHXFCSA-N 383.408 0.510 0 40 GCAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1c(O)nc2ncccc2c1=O 575610008 JVTBVTZYXSGQOP-JTQLQIEISA-N 377.401 0.527 0 40 GCAB Cc1cc(C)n2nc(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)nc2n1 1115992030 MFRMFRAUHCLBNK-UHFFFAOYSA-N 381.396 0.440 0 40 GCAB O=S(=O)(c1ccc(OC[C@@H](O)CNC2CC2)c(Cl)c1)N1CCOCC1 4979998 BTXDPRHXFSGNSR-ZDUSSCGKSA-N 390.889 0.853 0 40 GCAB Cn1nnc(NC(=S)NC(=O)c2ccccc2I)n1 6925569 SMLWGXQYRUUQCI-UHFFFAOYSA-N 388.194 0.942 0 40 GCAB Cc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2c1[C@@H](C)CC2=O 10664587 FXKOIUGJGKJPNB-JTQLQIEISA-N 378.406 0.850 0 40 GCAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(NS(C)(=O)=O)CC1 11717885 GURXATXLFWAFPY-JTQLQIEISA-N 381.458 0.197 0 40 GCAB CN1CCN(C(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 12029318 ZGLGOMUMDFFARU-OAHLLOKOSA-N 386.495 0.035 0 40 GCAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 13097451 PTMQININERODSB-UHFFFAOYSA-N 379.336 0.627 0 40 GCAB CNC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)NC)[C@H]1c1ccc(Br)cc1 15105948 VVHUDXYAOJMQET-LOUJCGABSA-N 397.269 0.981 0 40 GCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15328997 YPIVSGRMXWABIO-AWEZNQCLSA-N 386.495 0.793 0 40 GCAB O=C1CN(CC(=O)Nc2ccc(N3CCCC3)c(C(=O)N3CCCC3)c2)CCN1 19660434 WOQXAXUXMQLJFL-UHFFFAOYSA-N 399.495 0.893 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 20049942 DJCPQWKKKXVPQJ-GFCCVEGCSA-N 395.485 0.334 0 40 GCAB CC(=O)c1ccc(NC(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 20427563 XHVNYPDJORBQNX-UHFFFAOYSA-N 381.454 0.712 0 40 GCAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)c1 20468288 UQHISWPVNMZBHF-UHFFFAOYSA-N 397.453 0.454 0 40 GCAB CC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2sccc2C(N)=O)CC1 32718922 BJISYXKZGTXQCS-UHFFFAOYSA-N 381.502 0.318 0 40 GCAB Nc1nc(=O)c2c(I)cn([C@H]3CC[C@@H](CO)O3)c2[nH]1 34239377 KJNOBXXCZQLWLF-CAHLUQPWSA-N 376.154 0.581 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1=O 36398431 ZHYLJFVCFRPFNV-GOSISDBHSA-N 397.476 0.727 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C(=O)OC)CC2)cc1 40129215 WKURUIBXJAQWRI-UHFFFAOYSA-N 399.469 0.616 0 40 GCAB NS(=O)(=O)c1ccc(CCC(=O)NCCC(=O)Nc2ccccn2)cc1 45829948 DHBKGRHKAQCKQS-UHFFFAOYSA-N 376.438 0.807 0 40 GCAB NC(=O)[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 50858698 GLGNFCJLZGRZQO-HUUCEWRRSA-N 387.461 0.802 0 40 GCAB C[C@@H](CN1CCCC1=O)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 55811365 LSYLKTMJSGEZQK-KBPBESRZSA-N 387.436 0.938 0 40 GCAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 95477974 WNPALWGQMYJISV-LSDHHAIUSA-N 393.465 0.437 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 238828180 FGJUHWNPWVIMLA-STQMWFEESA-N 380.470 0.870 0 40 GCAB CN(CC(=O)NCCn1nc(-c2cnccn2)cc1C1CC1)S(C)(=O)=O 238845263 IDVNFPJYUASSID-UHFFFAOYSA-N 378.458 0.225 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1C 408621496 LKKVAUAGHMCRLC-OAHLLOKOSA-N 399.513 0.509 0 40 GCAB O=C1N[C@@H](CC(=O)N2CCN(Cc3ccccn3)CC2)C(=O)Nc2ccccc21 630617380 ALBLMGOOHQKWEI-SFHVURJKSA-N 393.447 0.867 0 40 GCAB biogenic COc1ccc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)cn1 1888909546 VGDLUSLCDHEFQN-KBPBESRZSA-N 379.424 0.975 0 40 GCAB COC(=O)[C@@H](NC(=O)[C@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 1590920 BMAULSIJZXQEMX-HOTGVXAUSA-N 382.372 0.674 0 40 GCAB CN(C(=O)CSc1nc2ccccc2c(=O)n1C)[C@@H]1CCS(=O)(=O)C1 6452492 HTKVARIJJWZXAQ-LLVKDONJSA-N 381.479 0.671 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)cc1 9485262 AZRCJLAISJJSGD-AWEZNQCLSA-N 383.470 0.544 0 40 GCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 11616739 OHKOGUYZJXTSFX-UOKLYIGXSA-N 384.435 0.548 0 40 GCAB in-vitro O=C(NCc1cccnc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029418 PLAOYJIFMULLDB-MRXNPFEDSA-N 394.474 0.972 0 40 GCAB CC(=O)NCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 12985910 USPOMINDPILTDO-FQEVSTJZSA-N 382.420 0.859 0 40 GCAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(=O)NCc1cccs1 22012990 RHSFMOUYLBPFGL-UHFFFAOYSA-N 394.478 0.784 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 29882399 SUUKFBNRRXCKCD-UHFFFAOYSA-N 395.525 0.807 0 40 GCAB CC(C)CNS(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 31772698 ORZNALWCWIBEOU-CQSZACIVSA-N 395.524 0.582 0 40 GCAB COc1ccc(Cl)cc1CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 48230826 TYHFQIKANFHJLH-ZDUSSCGKSA-N 388.873 0.701 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)o1 58331247 QWFPGSDAJCURAU-UHFFFAOYSA-N 392.397 0.733 0 40 GCAB CCOC(=O)[C@H](CO)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 95456354 QGGRLYUKUSRVCY-HNNXBMFYSA-N 384.379 0.857 0 40 GCAB C[C@H]1CCC[C@H](NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@@H]1C 100986166 DWUBVTFHAOGKPT-AXFHLTTASA-N 379.486 0.993 0 40 GCAB Cn1nc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)ccc1=O 225758537 HRKHRQIAIVJESK-UHFFFAOYSA-N 381.392 0.261 0 40 GCAB Cc1nc2cc(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(O)nc4=O)C3)ccc2[nH]1 257255111 KGDMYQRWBNKUEG-IAGOWNOFSA-N 397.435 0.819 0 40 GCAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1ccn(C)n1)Cc1cn(C)nc12 306128737 HJFMULZDLZSNPC-UHFFFAOYSA-N 385.472 0.825 0 40 GCAB COCCn1ccc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)n1 575406740 RMUIZNWFCBOORY-LZLYRXPVSA-N 399.451 0.442 0 40 GCAB CCOC(=O)[C@]12CCCN(C(=O)C3CC(O)C3)C[C@H]1CN(c1ncccn1)C2 585108093 WSVBZYDHQWTJDJ-WOAIQWADSA-N 388.468 0.856 0 40 GCAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](Cc3ccncc3)C(=O)O)ccc21 655601224 HMAVKRKXUCYRKD-OAHLLOKOSA-N 389.433 0.829 0 40 GCAB CCn1cc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)cn1 1565541713 ORYFLHHLYIOGIE-AEFFLSMTSA-N 375.429 0.567 0 40 GCAB C[C@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 5251901 VMXZCSNAMJKNOC-JTQLQIEISA-N 387.371 0.908 0 40 GCAB Cn1c(=O)c2sc3c(c2n(CC(=O)NC[C@H]2CCCO2)c1=O)CCCC3 6764462 OWJAXXYXLMCLSA-LLVKDONJSA-N 377.466 0.936 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4Cl)ncnc32)[C@@H](O)[C@@H]1O 6926910 AIFYZXYYAFRRQV-SYEQVDHESA-N 391.815 0.703 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 9051172 YCWAAGZZFKDGLC-HNNXBMFYSA-N 389.481 0.699 0 40 GCAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1C 9156828 MNGUOKAGEXYJNH-NSHDSACASA-N 396.451 0.787 0 40 GCAB CCn1cc(C(=O)N[C@@H](C)C(=O)N(C)CCO)c(=O)c2cc3c(cc21)OCO3 9305086 DKZLRORNVITSFV-NSHDSACASA-N 389.408 0.319 0 40 GCAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C(C)=O)CC1 12973620 OTLWYKLALYONDV-KRWDZBQOSA-N 393.509 0.994 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1C(N)=O 12985517 OFZAKWSIOWTERW-UHFFFAOYSA-N 397.482 0.620 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNC(=O)[C@@H]3C)C2)cc1 13595622 CRGVOQGMPAWRKI-GJZGRUSLSA-N 379.482 0.743 0 40 GCAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CS2 15940941 SODPXAXYPJOXSX-XJKSGUPXSA-N 383.495 0.447 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C(C)C)CC2)s1 32935915 HGQJNVCLDSPZKX-UHFFFAOYSA-N 381.545 0.948 0 40 GCAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1 222985568 AHWPIQZZCLDZTD-UHFFFAOYSA-N 377.492 0.133 0 40 GCAB CNC(=O)CN1CCN(c2nccc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)CC1 509146003 GAGLWUHSKPPQMS-CRAIPNDOSA-N 376.505 0.960 0 40 GCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3nccs3)C2)C1 514290224 VHCFKIIKSVHWBX-HZPDHXFCSA-N 385.493 0.684 0 40 GCAB biogenic,in-vitro CC(C)NC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)C3CC(F)(F)C3)C1)OC2 1565554320 OMVJOEAIESQJSL-INIZCTEOSA-N 383.399 0.963 0 40 GCAB CCN(C(=O)CSc1nnnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 6144848 LKMYJZWOPGIMKQ-ZDUSSCGKSA-N 381.483 0.790 0 40 GCAB Cc1cccc2c(=O)n(CC(=O)NCc3ccc(S(N)(=O)=O)s3)cnc12 11206166 LWYOVPPBVLNQCH-UHFFFAOYSA-N 392.462 0.730 0 40 GCAB O=C1CCCN1C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 12239357 UNQZMYIRHRAXNY-GFCCVEGCSA-N 378.454 0.879 0 40 GCAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12944819 HRWIFCKCIXGLJF-ZWNOBZJWSA-N 383.426 0.368 0 40 GCAB COCCCNC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 14135977 GFJVSVAMZKRMRE-UHFFFAOYSA-N 387.436 0.836 0 40 GCAB OC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O 20464804 ZMYLCMOVFIKCJJ-IVAOSVALSA-N 391.512 0.066 0 40 GCAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCN1CCOCC1 20647108 IYGUVDQZAZIABE-KRWDZBQOSA-N 388.468 0.378 0 40 GCAB COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 24971022 TZXMWVJNWGJUSB-INIZCTEOSA-N 396.465 0.875 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25029000 KPLGDIKOKLTQIN-GJZGRUSLSA-N 389.408 0.308 0 40 GCAB COc1ccc(CNC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)cc1OC 41070338 CRXHZKSRTZOYOU-UHFFFAOYSA-N 379.438 0.838 0 40 GCAB O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(c2ncccn2)CC1 56134943 MPLTZRTXQLNGED-UHFFFAOYSA-N 387.465 0.833 0 40 GCAB in-man C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2C1 64773632 WWRSRUPAWNGRTN-OAHLLOKOSA-N 397.479 0.978 0 40 GCAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 96098596 AKLWLZUZMJPUHQ-UHFFFAOYSA-N 397.501 0.540 0 40 GCAB CCN1C(=O)C[C@H](NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1=O 102405658 QSPGJZDJCAIZFG-INIZCTEOSA-N 395.481 0.585 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@H]2O)c(O)nc1=O 257227046 FNJWPMLXUDJZPZ-HUUCEWRRSA-N 383.408 0.511 0 40 GCAB Cc1cc2ncc(C(=O)N3CCC[C@@](O)(CN4CCOCC4)CC3)c(N)n2n1 257289219 PXPNKPVRUMIJRX-IBGZPJMESA-N 388.472 0.309 0 40 GCAB COc1nn(C)cc1C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575612357 LZDMSUKWQDQDJN-UHFFFAOYSA-N 383.405 0.499 0 40 GCAB C[C@H](C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1)n1cnc2c(N)ncnc21 614464249 WOHKROKGFQJHRH-SNVBAGLBSA-N 384.448 0.560 0 40 GCAB CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1)CC2 644456893 YOHHTXJPIOZTAL-KUHUBIRLSA-N 392.504 0.731 0 40 GCAB C=CC(=O)Nc1cccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c1 1180354732 FLDHWIXECOIQLV-OAHLLOKOSA-N 382.424 0.824 0 40 GCAB CN1CCN(C[C@@H]2CC[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)O2)CC1 2055795716 JLPYVXQMQOBKFP-PXNSSMCTSA-N 381.517 0.316 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3ccc(-n4cccn4)nn3)CC2)C[C@H](C)O1 2086886920 DJZYNTUFYUWPIA-HOTGVXAUSA-N 385.472 0.420 0 40 GCAB Cc1nc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)sc1C 6300167 JUCCBPMVLZHXQX-UHFFFAOYSA-N 394.482 0.775 0 40 GCAB CCn1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 6490198 PJNFZMTTYSKUHV-XWUBHJNHSA-N 376.413 0.741 0 40 GCAB COc1cc(OC)nc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)n1 10926820 UUIJGWVZUARCMK-UHFFFAOYSA-N 393.425 0.142 0 40 GCAB Nc1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nc2ccccc12 12554588 CDEQSHHSMDCKOG-UHFFFAOYSA-N 385.405 0.753 0 40 GCAB Cc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCOCC1 18125582 UBFWECHKVMYQJF-UHFFFAOYSA-N 397.482 0.865 0 40 GCAB CCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 19501339 YKIMDFXANBGTRF-AWEZNQCLSA-N 397.501 0.398 0 40 GCAB S=C(NCCN1CCOCC1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1 20503828 CZBUPAOLUAKMKN-GBESFXJTSA-N 395.617 0.589 0 40 GCAB biogenic,in-vitro O=C(c1cnn(Cc2ccccc2)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24096673 PUYFFLZOKBEGFG-SFHVURJKSA-N 388.493 0.876 0 40 GCAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 25326697 HHGGKVIEMGRJTM-UHFFFAOYSA-N 397.497 0.250 0 40 GCAB O=C(Cn1ccccc1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 25402080 NFMNPMFGXLLUPN-UHFFFAOYSA-N 377.422 0.977 0 40 GCAB O=C1Nc2ccccc2[C@@]12N=c1ccccc1=C(O)N2CCCN1CCOCC1 36359154 WYHAMPRYZVZYSY-QFIPXVFZSA-N 392.459 0.773 0 40 GCAB Cn1cnc2c1c(=O)n(CCCS(=O)(=O)c1ccc(F)cc1)c(=O)n2C 36392557 CVRPHJCIJASVED-UHFFFAOYSA-N 380.401 0.437 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 39998329 FZSJOQWOQMIMQP-VXGBXAGGSA-N 380.422 0.114 0 40 GCAB CCOc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F 55918015 YJYMIGMUGJYRPB-UHFFFAOYSA-N 375.360 0.610 0 40 GCAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O 71328907 WBHWRPYVGKZIIQ-CQSZACIVSA-N 375.429 0.750 0 40 GCAB COc1cc2nc(C)n(CC(=O)NCCN3CCOCC3)c(=O)c2cc1OC 72325570 IUKGUBQGKQNROB-UHFFFAOYSA-N 390.440 0.171 0 40 GCAB biogenic COc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)nnn1Cc1ccccc1 96183434 GHMTYLVHUJFDFH-UHFFFAOYSA-N 379.442 0.052 0 40 GCAB CCN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccc(F)cc1 226056242 QNBONBZEPIUGSK-UHFFFAOYSA-N 387.462 0.863 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1CCc1ccccc1 257216971 CWXRBMFWIOASIV-GOSISDBHSA-N 382.464 0.500 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCN(c4cccnc4)C(=O)C3)cc21 585150214 KFAZCMIHSVPEGS-UHFFFAOYSA-N 388.405 0.564 0 40 GCAB CN(c1ccc2nnc(C(F)(F)F)n2n1)C1CN(c2ccc3nncn3n2)C1 585592285 BDFNODIWYVGRGV-UHFFFAOYSA-N 390.333 0.906 0 40 GCAB O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 650413303 FAMZPRVQTIKICG-LURJTMIESA-N 384.307 0.454 0 40 GCAB Cn1c(N2C[C@@H]3CN(c4ncnc5ccsc45)C[C@H]3C2)cc(=O)n(C)c1=O 1888876292 JSLHOOCODRJVTF-VXGBXAGGSA-N 384.465 0.661 0 40 GCAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)C1CCCC1)OC[C@H]2n1ccc(O)nc1=O 2037977731 ABKYZVGTGNOJAB-LUYZLQTOSA-N 393.440 0.715 0 40 GCAB CCOC(=O)[C@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1 4999287 PWYPAGXBJINJHK-WCQYABFASA-N 375.356 0.486 0 40 GCAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)NC)ccc1F 9111969 ZMVIYBOITHRFAU-UHFFFAOYSA-N 389.405 0.469 0 40 GCAB CCc1cnc2c(c1OC)c(=O)n(CC(=O)NCc1ccccc1)c(=O)n2C 9648941 JRWWVQBPWPILRD-UHFFFAOYSA-N 382.420 0.983 0 40 GCAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)n2ccsc2n1 13146443 LXUNCUKUEVODHJ-RYUDHWBXSA-N 375.406 0.974 0 40 GCAB O=C(CN1CCOCC1)N1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 14230834 JCNOESMPSLRGBF-UHFFFAOYSA-N 394.859 0.682 0 40 GCAB Cn1ncc2c(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ncnc21 23402049 ZKMCZAJWKDXUPM-UHFFFAOYSA-N 383.437 0.634 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2nccs2)CC1 29657018 XRFXZDZBVFTEJD-UHFFFAOYSA-N 382.467 0.762 0 40 GCAB COc1ccccc1CNC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 31093231 DZDXSXRPYPPPAF-ZIAGYGMSSA-N 385.486 0.933 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)NCCc2c[nH]c3ccccc23)n(C)c1=O 32197339 KKPSVSRUNARLPZ-UHFFFAOYSA-N 394.435 0.664 0 40 GCAB CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1cccnc1 36359112 OUKWUXDJOMSCQG-CABCVRRESA-N 382.486 0.599 0 40 GCAB Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@](C)(O)[C@]3(C)O)ccc12 43509388 VERJTZMTVXTWPT-ONSCTEFMSA-N 394.420 0.841 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)C1 58225977 MQCJRPRVRQXYJY-ZDUSSCGKSA-N 393.506 0.963 0 40 GCAB COc1cc(Br)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)cc1OC 95454476 OZZQALDIKTUUOU-BDAKNGLRSA-N 396.259 0.583 0 40 GCAB COC(=O)CN(C)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 95458404 LBHLGSWHTOKWFQ-UHFFFAOYSA-N 398.890 0.127 0 40 GCAB C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408614339 BBZGUXGBHPUJPB-GJZGRUSLSA-N 389.452 0.538 0 40 GCAB Cn1c(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)cc(=O)n(C)c1=O 575414076 ZFMWZPTVFAAGJN-UHFFFAOYSA-N 392.419 0.616 0 40 GCAB CN1CCN(C[C@H]2CN(C(=O)Cc3ccc(-n4cnnc4)cc3)CCO2)CC1 644628614 VHXYZLYEUDNBBN-IBGZPJMESA-N 384.484 0.285 0 40 GCAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CN(S(=O)(=O)C3CC3)C[C@H]1O2 2055738597 BBGZTZPHSKENQB-NORZTCDRSA-N 380.422 0.935 0 40 GCAB O=C(C1CC(F)(F)C1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243171 OUUUMQSSXUSAPK-LBPRGKRZSA-N 375.397 0.323 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCCC(=O)O)CC2=O)cc1 4088009 FHQBKWQNISXYJN-RYUDHWBXSA-N 377.397 0.144 0 40 GCAB biogenic COc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4303954 ZRFYIZPUPDNARG-UHFFFAOYSA-N 396.407 0.249 0 40 GCAB CC(C)[C@H](NC(N)=O)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 5937745 YPDGHNRMUXOGSK-LBPRGKRZSA-N 382.442 0.510 0 40 GCAB CC(=O)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6053035 GCNLQFMEHWXISS-UHFFFAOYSA-N 389.861 0.826 0 40 GCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6673293 UTWIDOASKWNBAG-VXGBXAGGSA-N 397.478 0.578 0 40 GCAB Cc1oc([C@H](O)[C@H](O)[C@H](O)CO)cc1C(=O)OCC(=O)Nc1ccc(F)cc1 7004485 DXQVUTYCTMFMLM-XYPHTWIQSA-N 397.355 0.270 0 40 GCAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F 18190313 CSFFTSRVLXCIIG-MNOVXSKESA-N 390.314 0.409 0 40 GCAB COCCNC(=O)CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19018254 RJVRVJVYMSPTTP-KRWDZBQOSA-N 375.473 0.671 0 40 GCAB NS(=O)(=O)N1CCC(C(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1 25007306 LOAGBESMMMNIPQ-UHFFFAOYSA-N 395.407 0.544 0 40 GCAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(=O)NCc1ccccc1 27550217 VPLILFXXZDGFKT-UHFFFAOYSA-N 388.449 0.723 0 40 GCAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30057817 PJLMASVBFRSWRU-UHFFFAOYSA-N 382.342 0.904 0 40 GCAB O=C(CCc1ccco1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32717909 WGGNNYCZJYNPBY-UHFFFAOYSA-N 392.481 0.875 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38946650 FBDMDHVTNCZVKM-VXGBXAGGSA-N 392.510 0.838 0 40 GCAB NC(=O)c1c(SCC(=O)Nc2nncs2)sc2c(O)cc(=O)[nH]c12 44889807 CJXVRXGZTAHPDH-UHFFFAOYSA-N 383.436 0.976 0 40 GCAB Cn1c(N)c(C(=O)CN2CCn3cccc3[C@H]2c2ccccc2)c(=O)[nH]c1=O 48374421 BIXUGQGRDUJBBG-QGZVFWFLSA-N 379.420 0.745 0 40 GCAB CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@]2(CNC(=O)C2)C1 96262017 LETKXIFDBXADMC-QGZVFWFLSA-N 380.470 0.077 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1 224173971 NWEPUVHKXYOYCG-UHFFFAOYSA-N 391.453 0.750 0 40 GCAB CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)c2ccccc2N)CC1 240122543 WCEWRULKCJEPAI-MRXNPFEDSA-N 378.517 0.792 0 40 GCAB C[C@H](C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)n1nc(C2CC2)ccc1=O 575621583 YTLFABNHHMEUOF-GFCCVEGCSA-N 380.470 0.318 0 40 GCAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c(CC(=O)O)c1 580190249 ITEJDJRIMUEWKV-SJCJKPOMSA-N 385.438 0.891 0 40 GCAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)C3CC3)no2)N1Cc1ccncc1 1775964262 ZGBCXGBOVJKUFY-ZDUSSCGKSA-N 377.426 0.910 0 40 GCAB biogenic,in-vitro COC(=O)C1=C(NNS(=O)(=O)c2ccc(C)cc2)CS[C@@H]1C(=O)OC 644700 PCTVHGAGFKRWEF-ZDUSSCGKSA-N 386.451 0.493 0 40 GCAB CNC(=O)C[C@H]1C(=O)N(C)C(=S)N1NC(=O)c1ccc(Br)cc1 662338 LEJKNVVCMGPEGB-JTQLQIEISA-N 399.270 0.658 0 40 GCAB CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 4162148 FDHVGWGGWJJVAM-NSHDSACASA-N 379.486 0.854 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCNCc1ccccc1 6208840 KIQPTLILOFXJKL-UHFFFAOYSA-N 378.230 0.976 0 40 GCAB O=S(=O)(c1ccc(Cl)c(NC(=S)NNCCO)c1)N1CCOCC1 7785049 CMIULUFGAUMEQT-UHFFFAOYSA-N 394.906 0.144 0 40 GCAB O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(Cl)cc1F 8727846 QNBUFZDSUUVTHL-UHFFFAOYSA-N 398.866 0.894 0 40 GCAB CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2 10219724 XWPJDAZAYUOMQN-UHFFFAOYSA-N 392.437 0.774 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNC(=O)[C@@H]3C)C2)cc1 11694226 CDCJDDLWUSHYTA-UONOGXRCSA-N 395.481 0.443 0 40 GCAB O=C(NCc1cccnc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029425 PLAOYJIFMULLDB-INIZCTEOSA-N 394.474 0.972 0 40 GCAB Cc1ccc(OCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12784679 CSOZPVFOVKZIDX-CQSZACIVSA-N 393.465 0.656 0 40 GCAB CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)c2ccccc2O1 23058001 CSBYFJHSGCAFMJ-HNNXBMFYSA-N 392.437 0.169 0 40 GCAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 23317470 JJIZGYOUUFBZBT-KGLIPLIRSA-N 379.482 0.964 0 40 GCAB CC(C)CCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@H]12 35457085 RQVIOHJGPCAFPM-OANIWJOYSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CC(=O)c1ccccc1 36075867 SIJRYHHSIVNEKD-UHFFFAOYSA-N 383.408 0.138 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCOC[C@@H]3CCCO3)ccc21 51134806 GAIDEMRLRYFDFI-ZDUSSCGKSA-N 383.470 0.741 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 55095291 BALVSBWYNPNIQX-UHFFFAOYSA-N 392.437 0.324 0 40 GCAB Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c1C 58224444 OPEDBFITNKZLMR-AWEZNQCLSA-N 397.501 0.457 0 40 GCAB O=c1ccn(CCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c(=O)[nH]1 71195234 GMZPAIDMGRVJLM-UHFFFAOYSA-N 398.404 0.691 0 40 GCAB Cn1nc(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)ccc1=O 77100546 QENNNIYFUMJLNV-CQSZACIVSA-N 394.435 0.685 0 40 GCAB Cc1ccc(C(=O)NCCC(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)c(O)c1 95952846 KAYCKMBUFJLATN-CYBMUJFWSA-N 391.424 0.088 0 40 GCAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CC(S(=O)(=O)N2CCOCC2)C1 95999279 MHWNTDZYBKVHAG-OAHLLOKOSA-N 394.497 0.171 0 40 GCAB Cn1cnc(C(=O)N2CCc3nc(C(=O)NCc4cccs4)n(C)c3CC2)n1 1565555431 AEBLIXJCPGGQDP-UHFFFAOYSA-N 399.480 0.781 0 40 GCAB NS(=O)(=O)N1CCC(NC(=O)CSc2nc(-c3ccccc3)no2)CC1 1586034985 KBUWPHKEFWHNJR-UHFFFAOYSA-N 397.482 0.613 0 40 GCAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1614930128 XPKCJUVPZRGENG-VQIMIIECSA-N 395.525 0.813 0 40 GCAB CCN=c1nc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)cc(C)[nH]1 1889119608 BSMVUEFJEIPYEK-UHFFFAOYSA-N 376.486 0.764 0 40 GCAB CN(C)S(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3ncc(F)cn3)C2)C1 2055803779 UKQAVKLXLIISIJ-ZDUSSCGKSA-N 379.408 0.960 0 40 GCAB CCN(C)C[C@H]1COC2(CN(C(=O)COc3ccccc3)C2)CS1(=O)=O 2332243280 XKEFCCRBWWXKGO-INIZCTEOSA-N 382.482 0.412 0 40 GCAB Cc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c3c(c(=O)oc2c1)CCCC3 4073128 NEDWMPSWHZWUBC-GIYWUFHFSA-N 392.404 0.159 0 40 GCAB biogenic O=C(N[C@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5947216 NTNJKCZMHJIRSN-HZPDHXFCSA-N 384.388 0.611 0 40 GCAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 6879913 ULLMXOVVHWFQEN-HNNXBMFYSA-N 389.452 0.803 0 40 GCAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1cccnc1)CS(=O)(=O)C2 10250668 QVCCSEBJXMLOBR-UHFFFAOYSA-N 391.453 0.716 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 12131159 WVZPWIGGXDHXIR-LSDHHAIUSA-N 379.442 0.652 0 40 GCAB C[C@H](NC(=O)c1ccn(C)n1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366291 MBXITXRPDLQCKF-HOCLYGCPSA-N 385.468 0.890 0 40 GCAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1=NCCS1)n2C 12507113 ANKBBIJHWMDKJP-UHFFFAOYSA-N 395.510 0.975 0 40 GCAB C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(C(N)=O)cc1 12820251 ISPOPWWYBQRUBL-MFKMUULPSA-N 383.426 0.080 0 40 GCAB Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1 15941499 IZHDCOBKHACNPP-UHFFFAOYSA-N 385.467 0.758 0 40 GCAB COC[C@@H](C)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19218786 PJQWYJATTRAOSP-JLTOFOAXSA-N 389.452 0.977 0 40 GCAB Cc1nccn1CCCC(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1 19288105 QETJBXHWROGLSJ-UHFFFAOYSA-N 383.518 0.847 0 40 GCAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 20426253 TUEVYKDSDLPVBB-MRXNPFEDSA-N 379.372 0.728 0 40 GCAB biogenic CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N(C)C 36753787 IGUPTGYMXAIKSE-UHFFFAOYSA-N 385.486 0.995 0 40 GCAB CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)C1 89661841 IBHKHXZWNOUIEP-KZULUSFZSA-N 380.445 0.738 0 40 GCAB N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO 95951752 ICYVAINGGCXNEB-HNNXBMFYSA-N 386.456 0.152 0 40 GCAB COCCN1[C@]2(CCN(S(=O)(=O)C3CC3)C2)c2ccccc2S1(=O)=O 96143047 DPWRGBVKKXASKA-INIZCTEOSA-N 386.495 0.731 0 40 GCAB COc1cc(=O)n(C)cc1C(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 238876080 OBPQWWAPISRPED-CQSZACIVSA-N 385.376 0.844 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(Cl)cc1 409393814 YGVWGPFVDSUTQB-UHFFFAOYSA-N 387.889 0.826 0 40 GCAB C[C@]1(NCCNS(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 575426242 PKFHCYITVLWASF-INIZCTEOSA-N 383.495 0.680 0 40 GCAB C[C@@H](C(=O)NCCn1nc(-n2ccnc2)ccc1=O)n1nc(C2CC2)ccc1=O 575620280 PFCGTUZFDUCLGZ-ZDUSSCGKSA-N 395.423 0.241 0 40 GCAB CN1CC[C@@H](C(=O)NCCCNc2ccc(C(F)(F)F)cn2)S1(=O)=O 648735378 MXSAAERNAWJHIJ-NSHDSACASA-N 380.392 1.053 0 40 GCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 1560407652 YGWJUXMUEFKJJH-VDDIYKPWSA-N 383.427 0.387 0 40 GCAB COCCn1cnc2c(N3CCN(c4nccn5nccc45)CC3)ncnc21 1888921977 LBMSDBQZXWMCAZ-UHFFFAOYSA-N 379.428 0.842 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2SC1 6318089 GOFCPYKUMJBHBH-WMLDXEAASA-N 390.417 0.531 0 40 GCAB biogenic Cn1c(=O)c2c(ncn2Cc2cc3c(cc2Br)OCO3)n(C)c1=O 6657729 HZQGJOJAUCBZBP-UHFFFAOYSA-N 393.197 0.973 0 40 GCAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc3nnnn3n2)CC1 8851472 BJDXGZWWWNNQSZ-UHFFFAOYSA-N 385.862 0.745 0 40 GCAB CC(C)[C@@H]1NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 12971486 IMSUEYQMOTZFBR-HIFRSBDPSA-N 385.486 0.521 0 40 GCAB COc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Br 12998493 RHWLUQDOVQRKQC-UHFFFAOYSA-N 379.276 0.756 0 40 GCAB Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 21149812 AGGZHYYYLKJSJP-UHFFFAOYSA-N 399.480 0.872 0 40 GCAB COc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 24863998 VUYFTOGGEQOHMK-MRXNPFEDSA-N 390.484 0.499 0 40 GCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccnc(N2CCOCC2)c1 25291194 UHPTUHYQOMZMTJ-UHFFFAOYSA-N 395.419 0.238 0 40 GCAB CC(C)C(=O)NCCNC(=O)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 25602524 YFKDZJNKJVGCGN-CABCVRRESA-N 381.473 0.857 0 40 GCAB CN(C(=O)COC(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 32922196 MKOSOCIHOJOXDL-LLVKDONJSA-N 387.458 0.488 0 40 GCAB COc1ccc(CNC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)cc1 56999889 HMQVAILYQJTFES-UHFFFAOYSA-N 385.468 0.904 0 40 GCAB COCCNC(=O)NC(=O)CN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 57574391 VGSPKPKYZUXBIB-HNNXBMFYSA-N 383.470 0.148 0 40 GCAB O=C(NCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 95998811 VMWQXJJLZURDMV-INIZCTEOSA-N 395.481 0.069 0 40 GCAB CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CCN(C(=O)C1CCOCC1)C2 96036204 OFXVLKAPQQFBEC-HXUWFJFHSA-N 379.501 0.978 0 40 GCAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1N1C(=O)CCC1=O 223553223 ACUJXROUCVSJEH-UHFFFAOYSA-N 392.437 0.914 0 40 GCAB Cc1cc(C(=O)N2CCO[C@@H](Cn3nnc4c(N5CCCC5)ncnc43)C2)no1 306131397 KDJCONBQWLVCII-CYBMUJFWSA-N 398.427 0.659 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H](C[C@H]3CCOC3)C(=O)O)ccc21 547556471 UAWQGKQKYSJETR-ZYHUDNBSSA-N 383.426 0.035 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc3c2OCCCO3)CCO1 653279436 AWMBWXIAVVZTCY-CQSZACIVSA-N 392.408 0.622 0 40 GCAB CC(C)CCn1c(N2CCCCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C 1518752 CHWOZONZPVNRJQ-UHFFFAOYSA-N 376.461 0.418 0 40 GCAB Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)nn12 2646585 YMDJKYXNDMQPGW-UHFFFAOYSA-N 386.437 0.579 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)COc2ccccc2Cl)c(=O)n(C)c1=O 3356057 PKNBJWUFHLDRSU-UHFFFAOYSA-N 381.772 0.125 0 40 GCAB CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(=O)N[C@@H](C)C(=O)O 4899719 LZTLWPXVLKHTRU-UTTOWCGFSA-N 379.413 0.529 0 40 GCAB COC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)CC1 4941037 UJISZRANEJPZMN-UHFFFAOYSA-N 398.437 0.360 0 40 GCAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)n(C)c(=O)n1C 8769465 UDLUZBWSSRTSFL-UHFFFAOYSA-N 388.424 0.316 0 40 GCAB Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038670 RTRGNTRELGWJLU-QWRGUYRKSA-N 388.428 0.455 0 40 GCAB COc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1S(=O)(=O)N(C)C 12817327 IPDLYUZCJUWIOE-UHFFFAOYSA-N 390.425 0.944 0 40 GCAB CCn1nnc2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncnc21 13534527 DTJFPSNICYJYMU-UHFFFAOYSA-N 391.432 0.891 0 40 GCAB CC(=O)N[C@H](C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1)C(C)C 15497645 DNIIEKWQZKYZSD-SFHVURJKSA-N 376.505 0.809 0 40 GCAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 16790350 TZYLCGPSUSXFPZ-OCCSQVGLSA-N 394.449 0.662 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc2c(c1)OCO2 20567906 LKMZFALICRMZIR-UHFFFAOYSA-N 399.469 0.020 0 40 GCAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CC(=O)NC2CC2)CC1 23256884 MLCFCYOUUVEVKP-OAHLLOKOSA-N 376.476 0.769 0 40 GCAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 54359491 GQDXMMOQGHEPTL-QAPCUYQASA-N 386.496 0.911 0 40 GCAB Cc1nonc1CC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325714 IYTJXHHSYXRDLH-UHFFFAOYSA-N 377.426 0.643 0 40 GCAB COc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c(OC)c1 222673525 AASNDDZIKRCSER-UHFFFAOYSA-N 375.381 0.837 0 40 GCAB CN(C)C(=O)[C@@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 306143966 YSABQMCKEJCPHD-CYBMUJFWSA-N 385.472 0.664 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1 575421054 MRFUOPRJMJBGQR-CABCVRRESA-N 376.500 0.435 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](OCCO)c1ccsc1 575618631 AHUKPOQTTGAQEX-MRXNPFEDSA-N 392.433 0.959 0 40 GCAB COC[C@@H]1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O 585103931 WCHWHFNKJTXWBS-LBPRGKRZSA-N 388.515 0.892 0 40 GCAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1669288260 VSKMEPSKKQCMCS-CHWSQXEVSA-N 381.520 0.067 0 40 GCAB CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cccnc3)CCN2C12CCOCC2 1772595878 QIOBRDYGIRKVPC-OAHLLOKOSA-N 380.470 0.125 0 40 GCAB COc1cc(C(=O)N2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)on1 2055732747 YICQQOZDIMPZOD-GXFFZTMASA-N 378.410 0.753 0 40 GCAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 4045435 PNKJUVLFBNMXMK-HICWGWBUSA-N 378.406 0.150 0 40 GCAB biogenic CCCn1c(=O)n(CC(=O)NCCN)c(=O)c2c3c(sc21)COC(C)(C)C3 6760472 RFTZYMVPJJLSAK-UHFFFAOYSA-N 394.497 0.561 0 40 GCAB CNC(=O)CN(C)S(=O)(=O)c1cc(OC)c(OC)cc1Br 8057122 BIYYZLMDKNUCKE-UHFFFAOYSA-N 381.248 0.833 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN3CCN(C)CC3)C2)cc1 8073087 HYEZDWQRDLHIAT-HNNXBMFYSA-N 396.513 0.375 0 40 GCAB CN(C(=O)CNC(=O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 8938800 WWCXKRUWVKRNRE-SNVBAGLBSA-N 389.271 0.824 0 40 GCAB Cn1c(=O)c2cc(C(=O)NC[C@H]3COc4ccccc4O3)sc2n(C)c1=O 12422753 OKYZMFMZJPKLOI-JTQLQIEISA-N 387.417 0.869 0 40 GCAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CN3CCCC3)c3ncccc23)C1 19016539 QSXHCWZUQGSSEK-MRXNPFEDSA-N 384.484 0.979 0 40 GCAB COC[C@@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19218781 PJQWYJATTRAOSP-VLIAUNLRSA-N 389.452 0.977 0 40 GCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC[C@H]2CCCO2)cc1C 28209800 LGLMMIMXCGZVFP-HIFRSBDPSA-N 396.465 0.979 0 40 GCAB COc1ccc(/C=C/C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 32926419 LAMXEXCJHPKQPI-HZRUHFOJSA-N 396.465 0.479 0 40 GCAB C[C@H]1CN(CCNC(=O)c2nc(N3CCOCC3)ncc2Cl)C[C@@H](C)O1 48354083 WVQRDTJMAIDFDV-BETUJISGSA-N 383.880 0.806 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncc(Br)cn2)CC1 52715743 TXYDKZGLWLBLBY-JTQLQIEISA-N 385.266 0.595 0 40 GCAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cc(=O)n(C)c(=O)n1C 57554022 AZQKXMSWZQXKBF-ZDUSSCGKSA-N 399.451 0.280 0 40 GCAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)OCC3CC3)C2=O)cc1 58363743 NJFOYMNNDORQGT-LJQANCHMSA-N 389.408 0.532 0 40 GCAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)C2CC2)CC3)C1=O 96036516 FRLSPJWCUDJEAH-SFHVURJKSA-N 383.514 0.662 0 40 GCAB CC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N3CCCC3)CN(S(C)(=O)=O)C[C@@H]21 96143751 NRPOLRKAMBVMPT-QFBILLFUSA-N 397.541 0.909 0 40 GCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CCO2)cn1 97012601 BHDUCNJICFZZKZ-INIZCTEOSA-N 376.438 0.468 0 40 GCAB COC(=O)Cn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(C)ccc21 100876106 VGRCSCCYMHBFOL-ZCXUNETKSA-N 375.406 0.761 0 40 GCAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1 306132083 KXRKGDGPNAYOPM-NSHDSACASA-N 379.442 0.570 0 40 GCAB Cc1cnc(C(=O)N2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)cn1 306141221 VOOCXMSYWUPVKR-ZIAGYGMSSA-N 382.424 0.173 0 40 GCAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 530165017 MYHRGBDHSXEQJA-CYBMUJFWSA-N 395.481 0.499 0 40 GCAB CN1CCC(NC[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 585284460 LEOHLJZCYUKMDI-ICSRJNTNSA-N 395.931 0.891 0 40 GCAB O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccc2nc(O)nc(O)c2c1 681821258 TUUACOKPKMBESS-JTQLQIEISA-N 375.410 0.778 0 40 GCAB CCn1cc(CC(=O)N[C@@]23CCC[C@@H]2N(c2nc(C)nc(N(C)C)n2)CC3)nn1 1615612414 YDLMOOQPBZZAFM-HNAYVOBHSA-N 399.503 0.718 0 40 GCAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1 2701567 UXOBUCYAVMGLPP-BTDICHCPSA-N 381.479 0.916 0 40 GCAB Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C(F)(F)F 3302668 WTKRUIKUNDDXKU-UHFFFAOYSA-N 396.376 0.389 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@@H]2SC1 3830508 XIURVHNZVLADCM-DOMZBBRYSA-N 396.446 0.592 0 40 GCAB biogenic CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 4326368 XSBGTWOLYHUERP-STQMWFEESA-N 380.422 0.729 0 40 GCAB biogenic COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(C)=O 5398424 FBDKBPVFHVYDBT-ABAIWWIYSA-N 379.388 0.176 0 40 GCAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1C 7258559 KSLHVMXOEYUXGY-LBPRGKRZSA-N 383.426 0.065 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1CC1 7653770 IQKFJFDLYQGJHQ-UHFFFAOYSA-N 382.438 0.451 0 40 GCAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)N(C)C1=S 8091424 QCSGYRWBVNCISC-WDZFZDKYSA-N 394.405 0.731 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8424671 FCVCAEKYYZYHMM-UHFFFAOYSA-N 383.408 0.746 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(OC)cc2)n(C)c1=O 12647746 UZWVVAMUSKOGQW-UHFFFAOYSA-N 385.380 0.230 0 40 GCAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@H]2CCS(=O)(=O)C2)C3)cc1 15106389 FPGULWFXLPXKQS-BBRMVZONSA-N 375.450 0.975 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 15365021 YZLDXEQDZGYFDA-UHFFFAOYSA-N 385.467 0.987 0 40 GCAB CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 19501321 KLMPEXOTCITNPH-LBPRGKRZSA-N 382.486 0.594 0 40 GCAB CN(C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 19797460 PCLZWTFUASXQBO-ZDUSSCGKSA-N 386.451 0.012 0 40 GCAB O=C(Nc1ccc2c(c1)CCO2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23102346 XRSYBMGDMYKLFN-ZDUSSCGKSA-N 377.422 0.726 0 40 GCAB Cn1c(C2CCN(S(C)(=O)=O)CC2)nn(CC(=O)c2ccccc2)c1=O 23141125 BCYPATAOMZCVLC-UHFFFAOYSA-N 378.454 0.604 0 40 GCAB COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1OC 31044587 VIAFSTAZQCONJQ-UHFFFAOYSA-N 386.474 0.337 0 40 GCAB CNC(=O)Cc1csc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 70641518 LXORJTCEMVICII-CQSZACIVSA-N 388.449 0.798 0 40 GCAB C[C@H](CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 95970494 VMPLCMIDSCMQOC-LLVKDONJSA-N 386.426 0.257 0 40 GCAB Cn1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1 96000503 PCFNETMQPHKPEW-UHFFFAOYSA-N 382.467 0.186 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 96345134 VDWSSBNWGPAFTR-UHFFFAOYSA-N 376.438 0.086 0 40 GCAB COc1ccc(S(=O)(=O)NCCC(=O)/N=c2/sccn2C)cc1OC 96403145 GQDKVMDNHSSAQH-BMRADRMJSA-N 385.467 0.900 0 40 GCAB COC(=O)C(C(=O)OC)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 101446750 MQKIUSNYAGLHMZ-ZPIYLHIJSA-N 385.210 0.577 0 40 GCAB Cc1ccc(-n2cc(S(=O)(=O)N[C@H]3CC(=O)N(C(C)C)C3=O)cn2)cc1 101461390 ALDXXVYTSBQJPR-HNNXBMFYSA-N 376.438 0.995 0 40 GCAB COc1ncccc1CN1CC[C@@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 306124463 BQLCNVIOHAFSIW-HXUWFJFHSA-N 399.451 0.394 0 40 GCAB Cc1nn(C)cc1CCC(=O)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 585272745 OFMPCENICPDNPR-UHFFFAOYSA-N 378.410 0.497 0 40 GCAB CN(C[C@@H]1CCCN(C(=O)c2cccc(OCC(=O)O)c2)C1)S(C)(=O)=O 668324004 KJTGZXOTHIOYJS-ZDUSSCGKSA-N 384.454 0.894 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1 4879612 UNUOINGWBWDLCW-UHFFFAOYSA-N 389.433 0.991 0 40 GCAB CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1=O 8206822 YWUMBGHVTNACEU-UHFFFAOYSA-N 375.381 0.399 0 40 GCAB CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O 8624358 VLZHYTDIYPNEII-OGWHTMIXSA-N 396.459 0.874 0 40 GCAB biogenic,in-vitro CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(=O)n2C2CC2)CC1 35294204 OZZSAMWYLXHTKO-UHFFFAOYSA-N 396.517 0.057 0 40 GCAB COc1ccc(CN(C)C(=O)CS(=O)(=O)Cc2nnnn2C2CC2)cc1F 40121896 PXQBKWUKFBOHGR-UHFFFAOYSA-N 397.432 0.729 0 40 GCAB COc1cc2c(cc1OC)CN(C(=O)Cn1cc(OC)c(=O)cc1CO)CC2 70666463 FMFLHECCJIWQAM-UHFFFAOYSA-N 388.420 0.951 0 40 GCAB biogenic Cc1ccc(C(=O)N2CCN(CC(=O)N3CCC4(CC3)OCCO4)CC2)o1 89652373 ZQMZAALMOTVQHS-UHFFFAOYSA-N 377.441 0.711 0 40 GCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 96005498 IPKYRGQHOKEPAQ-HNNXBMFYSA-N 385.530 0.371 0 40 GCAB O=C(O)Cc1cnc(NS(=O)(=O)c2ccc(Br)cc2)[nH]c1=O 217389798 AZHBHGYLBLTSMW-UHFFFAOYSA-N 388.199 0.960 0 40 GCAB CN1CCN([C@H]2CN(Cc3ccc(OCc4nccn4C)cc3)C[C@@H]2O)CC1 257234911 GVOVOUDRVQXMAU-PMACEKPBSA-N 385.512 0.792 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2cncn2C)CC1 585294338 YYPDBSKJVGTJRE-UHFFFAOYSA-N 378.473 0.814 0 40 GCAB CC1(C)[C@H](NC(=O)c2ccnc(N3CCOCC3)n2)C[C@H]1N1CCOCC1 640510581 QCFBMWCVZNWIPA-HZPDHXFCSA-N 375.473 0.542 0 40 GCAB CCCN1C[C@@H]2C[C@H](NC(=O)NC(C)C)CN2C(=O)[C@@H]1CNC(=O)C1CC1 2332242239 UWEWLYKTJKUOMC-JYJNAYRXSA-N 379.505 0.284 0 40 GCAB CC1(C)[C@@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2S1(=O)=O 1323252 DZYBRGUNKNPEKM-CVYQJGLWSA-N 391.037 0.301 0 40 GCAB biogenic Cn1c(N)c(C(=O)COC(=O)/C=C/c2ccccc2Cl)c(=O)n(C)c1=O 5944262 BYJKZUDHFIPMBR-BQYQJAHWSA-N 377.784 0.759 0 40 GCAB CCN1C(C(=O)N2CCOCC2)=C(OC(C)=O)c2ccccc2S1(=O)=O 9305516 IYWKZSGETFMIMH-UHFFFAOYSA-N 380.422 0.801 0 40 GCAB O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCCO2 9981848 RHCZHZJHICYGSC-HNNXBMFYSA-N 389.452 0.967 0 40 GCAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C 15880329 SRZZGKROCXUBPP-UHFFFAOYSA-N 384.348 0.471 0 40 GCAB CCOC(=O)[C@@H]1CCc2sc3ncn(CC(=O)NC(=O)NC)c(=O)c3c21 19797231 GOKUJAHFGXEXOU-MRVPVSSYSA-N 378.410 0.507 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1cccnc1 20745055 QJSTWVRUIUDDMS-AWEZNQCLSA-N 382.376 0.937 0 40 GCAB CC[C@@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229501 CDBOEKXNMGXODQ-CQSZACIVSA-N 397.497 0.281 0 40 GCAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 29883606 PGTMONHGFXJNFO-DYVFJYSZSA-N 391.472 0.979 0 40 GCAB NC(=O)c1nn(CC(=O)Nc2ccnn2Cc2ccco2)c(=O)c2ccccc12 32719488 VJKKCKWGHBOUDQ-UHFFFAOYSA-N 392.375 0.972 0 40 GCAB COc1ccc(CCNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1OC 32916639 PFQCKJHSGBNPEG-AWEZNQCLSA-N 385.486 0.970 0 40 GCAB COCCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1 32937242 GZBXZMWBCJMJJR-CQSZACIVSA-N 398.460 0.509 0 40 GCAB CN(C)C(=O)CN1CCN(Cc2cccc(C(=O)Nc3cnn(C)c3)c2)CC1 67691217 CPJRJYBGDTZMSD-UHFFFAOYSA-N 384.484 0.878 0 40 GCAB CCOCCCN1CC[C@H](N[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 97164301 KAXRWMBPXYSZTP-AOIWGVFYSA-N 382.549 0.792 0 40 GCAB Cc1cc(N(C)C)nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 224139427 SPMKWPBSOZHSSG-UHFFFAOYSA-N 382.468 0.930 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN([C@H]3CCSC3)CC2)CC1 225570963 UGPBSBDRESRBRG-INIZCTEOSA-N 389.587 0.992 0 40 GCAB O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831472 SBHQSCGKMPVRPJ-HNNXBMFYSA-N 395.423 0.746 0 40 GCAB NC(=O)C1CCN(c2cccc(NC(=O)CCNC(=O)[C@H]3CCCN3)c2)CC1 573087692 PNIOEGGITOGBIW-QGZVFWFLSA-N 387.484 0.585 0 40 GCAB CCOC(=O)[C@]12CCCN(C(=O)C3CC(O)C3)C[C@H]1CN(CCN(C)C)C2 585108043 ICVUYOWKJDTXGO-FCULAJGNSA-N 381.517 0.423 0 40 GCAB COCCOCCC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)OC)C1 1615058751 WALCNKSYAHFONH-HUUCEWRRSA-N 385.461 0.235 0 40 GCAB Cc1nc(CN2C[C@@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@@H]3C2=O)cs1 2055771929 JUDNNANJOFBZKX-YPMHNXCESA-N 381.483 0.464 0 40 GCAB COc1ccc(NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 625879 VAPWYWCSMPHPBK-UHFFFAOYSA-N 377.788 0.734 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)NC(C)C)C2)cc1 8168448 PSYDILSOGFGUTE-AWEZNQCLSA-N 397.497 0.737 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)N2C(C)(C)CC(=O)CC2(C)C)n(C)c1=O 8746507 LHXXTZGKUWMJJZ-UHFFFAOYSA-N 375.429 0.182 0 40 GCAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 10157565 YTKRDAATJXWKEN-KGLIPLIRSA-N 384.396 0.208 0 40 GCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H](CN4CCCC4)C3)ccc2[nH]1 12362446 GOPTXXVLNDSBJV-ZDUSSCGKSA-N 392.481 0.713 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(c3ncccn3)CC2)cc1 22198167 FQTYUGNCYDUJMW-UHFFFAOYSA-N 390.469 0.275 0 40 GCAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)NCc1ccccc1Cl 23249345 HGCMWXHOLREGFY-UHFFFAOYSA-N 394.903 0.433 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCN(C)CC1 23991021 UCUWRHNGHYHEJO-UHFFFAOYSA-N 396.513 0.202 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)=O)cc1OC 25020797 KLGQBPORTBSQRU-CYBMUJFWSA-N 378.381 0.167 0 40 GCAB COc1ccccc1N(C[C@H](O)CNCC(=O)O)S(=O)(=O)c1ccccc1 28295659 KYLWJNKFXFXKGP-CQSZACIVSA-N 394.449 0.926 0 40 GCAB O=C(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OCCO2 32091990 XRILQOFQZSIRMU-GFCCVEGCSA-N 383.426 0.273 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 35269215 AGGVGBOOWQEHKG-UHFFFAOYSA-N 398.485 0.558 0 40 GCAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCCNC(C)=O 96113001 SZXHNATVQWJCNE-DLBZAZTESA-N 376.457 0.199 0 40 GCAB biogenic,in-vitro CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4CCCC4)cn23)C1 96156760 OYDCQVKRHKMSHQ-OAHLLOKOSA-N 385.472 0.935 0 40 GCAB CCN1CCN(C(=O)NCC2CCN(C3CCSCC3)CC2)C(=O)C1=O 238837473 HBEYQRZBTRDDEO-UHFFFAOYSA-N 382.530 0.994 0 40 GCAB CC(C)n1cnc(S(=O)(=O)NCCN2c3ccccc3N(C)S2(=O)=O)c1 240122501 WAMGZQOKCJRRIL-UHFFFAOYSA-N 399.498 0.944 0 40 GCAB CCc1oncc1C(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306134399 NMCKOGGCRCTUOX-GFCCVEGCSA-N 392.437 0.735 0 40 GCAB O=S(=O)(Cc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 390830334 KFZOQURFDBZMDP-UHFFFAOYSA-N 388.511 0.643 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)n2cccn2)C1=O 575612973 DZCDFGBEXSBPDX-LLVKDONJSA-N 383.455 0.941 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cccc(N)n2)CCO1 585282980 LDNLUJLDLDFYIZ-LJQANCHMSA-N 388.399 0.969 0 40 GCAB CCS(=O)(=O)C1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 660731905 IBGKGJOGNZOSCY-UHFFFAOYSA-N 383.489 0.983 0 40 GCAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cc2ccccc2n(C)c1=O 661224342 MWCKNSWMVBHKHN-ZFWWWQNUSA-N 379.438 0.150 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 681943465 WZDTUKUMOSMAQT-CQSZACIVSA-N 378.381 0.118 0 40 GCAB CC(C)NC(=O)c1nnc2n1C[C@]1(CCN(C(=O)C3CC(F)(F)C3)C1)OC2 1614935484 OMVJOEAIESQJSL-MRXNPFEDSA-N 383.399 0.963 0 40 GCAB COC1(CNS(=O)(=O)CCc2ccccc2)CCN(S(C)(=O)=O)CC1 1889219235 PORATRVQHXOBEI-UHFFFAOYSA-N 390.527 0.589 0 40 GCAB COc1cc(C(=O)N2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)on1 2055746394 WXLJPZVWXPKKBQ-UHFFFAOYSA-N 376.417 0.592 0 40 GCAB O=C(C1CC(F)(F)C1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243241 UUQYJDVYWZJTQZ-LBPRGKRZSA-N 393.387 0.462 0 40 GCAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 2137167 IQMDYYCVZOKLKD-NSHDSACASA-N 390.392 0.748 0 40 GCAB biogenic O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(c2ncccn2)CC1 7785436 HHMWLQHAAZMTSX-UHFFFAOYSA-N 387.465 0.880 0 40 GCAB CCOc1ccc(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 10283617 KPXQUSHNAPAFIV-AWEZNQCLSA-N 383.470 0.540 0 40 GCAB O=C1COc2ccc(S(=O)(=O)N3CCn4c(nnc4C4CC4)C3)cc2N1 12187880 HVWBNMXNHSXXCU-UHFFFAOYSA-N 375.410 0.691 0 40 GCAB O=C(CSC1=NCCN1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12812276 KEBUODZGSAUOTM-UHFFFAOYSA-N 386.474 0.351 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(N)=O)CC2)cc1 12925160 DTZZJZSAJAXKSP-LBPRGKRZSA-N 382.438 0.707 0 40 GCAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cnccn2)C[C@]12Cc1ccccc1C(=O)N2 19449853 DYVWQZHYTBXGOT-HRAATJIYSA-N 393.447 0.798 0 40 GCAB Cc1c(S(=O)(=O)NCCS(=O)(=O)N2CCCCC2)cnn1C(F)F 19553110 XJYVRSFMNDRBPY-UHFFFAOYSA-N 386.446 0.681 0 40 GCAB COCCNC(=O)C1=CC(c2cc(OC)ccc2OC)=NS(=O)(=O)N1C 20219957 TWPVRFGLVNOSML-UHFFFAOYSA-N 383.426 0.330 0 40 GCAB CCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 58268166 JHXQLVVFSGCFKG-HNNXBMFYSA-N 398.485 0.365 0 40 GCAB COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(OC)c1 58305487 KUOZWAKYWLKMBN-AWEZNQCLSA-N 377.441 0.823 0 40 GCAB CC1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@@H]21 96300092 OBROIGWEUCEWJH-ZJUUUORDSA-N 397.478 0.032 0 40 GCAB Cc1nc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc(-n2cccn2)n1 224223786 HFKBCRSYVHVVGI-UHFFFAOYSA-N 380.412 0.527 0 40 GCAB CN1CCN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 225087814 DZBVDPFHSQQBJV-UHFFFAOYSA-N 394.497 0.256 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 247498017 DQKRFCBIXVZEEL-AWEZNQCLSA-N 377.470 0.783 0 40 GCAB NC(=O)[C@H]1CN(C(=O)CCN2C(=O)CCCC2=O)CCN1Cc1ccccc1 257343816 ZUNIMGMRDXOYBM-MRXNPFEDSA-N 386.452 0.114 0 40 GCAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1 585289355 FHBOYNGFHXWFTC-HKUYNNGSSA-N 382.888 0.982 0 40 GCAB C[C@@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)Cc1ccsc1 618256086 DBEJWCSAVNGEHK-INIZCTEOSA-N 384.479 0.884 0 40 GCAB COc1nn(C)cc1C(=O)N1C[C@H]2CN(c3nc(C)c(F)c(O)n3)C[C@@H]2C1 1888867099 OFLDVHPRKBMUIH-QWRGUYRKSA-N 376.392 0.580 0 40 GCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cc(OC)no2)CC1 2055773124 ZBASUQNJMUKCOW-UHFFFAOYSA-N 377.401 0.274 0 40 GCAB COc1cc(C(=O)NCCNC(=O)[C@@H]2CCCNC2=O)cc(OC)c1OC 4976704 LHJVSFYFKJBHRT-GFCCVEGCSA-N 379.413 0.085 0 40 GCAB O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7990042 UTKWTIKJKVXEMX-UHFFFAOYSA-N 383.495 0.194 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1OC 10157519 PPHVVEQAOZKDNK-HZPDHXFCSA-N 388.424 0.175 0 40 GCAB Cc1cc(C)cc(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 12660513 BKZXYENCAYFYJK-UHFFFAOYSA-N 399.407 0.232 0 40 GCAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)ccc21 12785900 OOVHWTOFPVNOBW-UHFFFAOYSA-N 397.479 0.761 0 40 GCAB C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NCc1cccs1 12897432 TUHDLOIEXVEDCH-NSHDSACASA-N 395.462 0.794 0 40 GCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-n2cnnn2)cc1 18120380 NUSFCVNYEFTLDY-UHFFFAOYSA-N 377.364 0.694 0 40 GCAB CN1CCN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19589974 KYZZAZXZFDPKGD-UHFFFAOYSA-N 387.528 0.923 0 40 GCAB CC(=O)Nc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)cc1 22996974 NEUPCMSCAZEYPP-QGZVFWFLSA-N 392.456 0.739 0 40 GCAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(CC(=O)N(C)C)CC1 40017902 CCXZTGRDSMIKGG-AWEZNQCLSA-N 384.488 0.964 0 40 GCAB C[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccccc2)ccc1=O 44390869 PFBYQKQZLBHPTK-CQSZACIVSA-N 390.465 0.575 0 40 GCAB COc1cccc(C[C@@H](C(=O)N2CCCN(C(C)=O)CC2)n2nnnc2C)c1 48302877 CQJQRLRDVKKRCP-SFHVURJKSA-N 386.456 0.855 0 40 GCAB CCN(CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1)S(C)(=O)=O 58010574 RHKUXCGEKQXWKT-CQSZACIVSA-N 397.497 0.836 0 40 GCAB COc1cccc(-c2ccc(=O)n(CN3CCN(S(C)(=O)=O)CC3)n2)c1 72405466 WCOKQBQLCALQHD-UHFFFAOYSA-N 378.454 0.454 0 40 GCAB CCS(=O)(=O)N1CC[C@@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244617 UNTQGHKVZNWFBJ-KRWDZBQOSA-N 382.486 0.445 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NC3[C@@H]4CCCC[C@@H]34)cc2)CCN1 101457390 NTWVGBUKBIYFPM-HUUCEWRRSA-N 377.466 0.726 0 40 GCAB COc1ccc(/C=c2/[nH]/c(=C/C(=O)c3ccccc3)c(=O)[nH]c2=O)cc1OC 105860462 IIWASLRIFAPVKM-NCZFFCEISA-N 378.384 0.573 0 40 GCAB COCc1cn(C[C@H]2C[C@@H](NCc3cn(C)c4ccccc34)[C@H](O)[C@@H]2O)nn1 225501773 RICBGTYILVSNIO-HSGBFHSBSA-N 385.468 0.816 0 40 GCAB biogenic,in-vitro Cn1c(COCC(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nc2ccccc21 257259187 KXFSQGZLXPKAPS-WRWLIDTKSA-N 388.468 0.430 0 40 GCAB CN(CC(=O)O)C[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 547699053 WRZUKRMXUPYGAG-INIZCTEOSA-N 383.489 0.265 0 40 GCAB O=C(CN1CCOCC1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643575648 WLQYSPAPGXAVAI-RBUKOAKNSA-N 392.496 0.674 0 40 GCAB O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 650413304 FAMZPRVQTIKICG-ZCFIWIBFSA-N 384.307 0.454 0 40 GCAB CN(C)S(=O)(=O)N1C[C@H]2[C@H](CC(=O)NCc3cccs3)COC[C@H]2C1 2055772081 VERUOBATYJPZRP-NFAWXSAZSA-N 387.527 0.755 0 40 GCAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 928654 VKQZTYJZTDECDD-GHMZBOCLSA-N 379.486 0.852 0 40 GCAB CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 4939450 MYMKPTFMECXNRN-HXUWFJFHSA-N 398.371 0.520 0 40 GCAB CC(=O)N1C[C@@H](N[C@H](Cc2c[nH]cn2)C(=O)O)C(c2ccc(N(C)C)cc2)=N1 5631794 JWWXOYVUAOFRDC-IAGOWNOFSA-N 384.440 0.696 0 40 GCAB CC[C@H](c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1)N(C)C 8184890 WBLSQMGSRJUSEP-WDEREUQCSA-N 376.504 0.820 0 40 GCAB CS(=O)(=O)c1cncnc1[C@@H]1CCCN(CC(=O)NCc2ccco2)C1 12154664 YRIHPWBVMAQFLJ-CYBMUJFWSA-N 378.454 0.969 0 40 GCAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1ccccc1O 12444081 AFWKHELLURCVFK-UHFFFAOYSA-N 389.393 0.599 0 40 GCAB CC/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 19363689 JSPXXAMBQKFHQE-WUKNDPDISA-N 386.452 0.851 0 40 GCAB CC(C)NS(=O)(=O)c1cc(C(=O)N2CCN(c3cnccn3)CC2)n(C)c1 25344428 ZJGJEPFRRPPDPM-UHFFFAOYSA-N 392.485 0.464 0 40 GCAB CC(C)CN(C(=O)CN1CCN(c2ccccn2)CC1)[C@@H]1CCS(=O)(=O)C1 32652257 AASNQDZCRSJOEB-QGZVFWFLSA-N 394.541 0.875 0 40 GCAB O=C1COc2ccc(S(=O)(=O)NCCS(=O)(=O)c3ccccc3)cc2N1 32935792 SUEKGZCKHSKPRB-UHFFFAOYSA-N 396.446 0.770 0 40 GCAB Cc1noc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 40039722 MFOPNARYTWGFGI-UHFFFAOYSA-N 380.426 0.656 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 44847262 YVGQEHQNEGCVMA-OAHLLOKOSA-N 398.504 0.993 0 40 GCAB C[C@@H](C(=O)N[C@@H]1CCCNC1=O)N1C(=O)c2ccc(Br)cc2C1=O 50635169 JUBHJWSGEQKLRX-QPUJVOFHSA-N 394.225 0.828 0 40 GCAB O=C(CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)NCCO 84136545 BDVVFFNUPQPUNE-FYMRZPMTSA-N 377.485 0.419 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1 95457649 RHQZFTSBJWLCRD-NEPJUHHUSA-N 384.454 0.973 0 40 GCAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 218787474 TUOVSZLPMQXMRK-INIZCTEOSA-N 383.470 0.052 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CC1 253398005 GJTWGXRTHXYCOE-LBPRGKRZSA-N 389.861 0.620 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)=O 257206548 BDXWXHXXBOGRPL-HNNXBMFYSA-N 388.424 0.098 0 40 GCAB COc1ccccc1S(=O)(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 575609685 ZYBRQNJNINTAGN-CQSZACIVSA-N 388.511 0.625 0 40 GCAB COC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)CCc2ccccc2)CC1 585302239 WGJWXDCZQQIEMZ-UHFFFAOYSA-N 389.495 0.611 0 40 GCAB CCCO[C@H]1O[C@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857524248 VDBRYEIACQHBSB-NJURLYQPSA-N 376.358 0.106 0 40 GCAB Cc1ccc(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 6371141 WAJVAVDVNDCKDZ-UHFFFAOYSA-N 399.407 0.232 0 40 GCAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 7262443 QHWNDKWEJCBXAL-CQSZACIVSA-N 377.466 0.774 0 40 GCAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9992909 KOBMMUBJRSAOBO-SJKOYZFVSA-N 395.437 0.225 0 40 GCAB COCCn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)[nH]c1=O 11758742 NOVJERGLHWWJBN-UHFFFAOYSA-N 393.421 0.511 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022260 IKQZUNAWFMKOIA-YEOLMYPVSA-N 384.436 0.473 0 40 GCAB Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 19714796 LTAJMXUEAPFRHY-UHFFFAOYSA-N 386.456 0.932 0 40 GCAB O=C(NCCN1CCOCC1)C(=O)NCC1CCN(Cc2cccs2)CC1 23127520 DZHOHGFZEVEXKG-UHFFFAOYSA-N 394.541 0.525 0 40 GCAB Cc1nn(C)c2ncc(NC(=O)Cn3nc(C(N)=O)c4ccccc4c3=O)cc12 24033023 DLPDNDJVYMDKAI-UHFFFAOYSA-N 391.391 0.724 0 40 GCAB CCc1nn2c(=O)cc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)nc2s1 25052809 DAHDBCWYGPKHFF-UHFFFAOYSA-N 375.410 0.947 0 40 GCAB Cc1ccnc2nc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)nn12 25815363 RHYGRNBNUAIPHD-GFCCVEGCSA-N 375.410 0.855 0 40 GCAB COCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1 31070571 VJZUUYYGCGSTFA-UHFFFAOYSA-N 395.275 0.841 0 40 GCAB Cc1c(C)[n+]([O-])c([C@H](C(C)C)C2C(=O)NC(=O)NC2=O)n1CCCN(C)C 524732597 QZBQCEZCOGYRRL-CYBMUJFWSA-N 379.461 0.412 0 40 GCAB Cn1c(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nc2c1c(O)nc(=O)n2C 677511828 XQPKLGTVQTXDSS-SKDRFNHKSA-N 377.351 0.963 0 40 GCAB COC(=O)C1=C(NNS(=O)(=O)c2ccc(C)cc2)CS[C@H]1C(=O)OC 644703 PCTVHGAGFKRWEF-CYBMUJFWSA-N 386.451 0.493 0 40 GCAB CC(=O)Nc1nc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)nc(N(C)C)n1 1425618 JEJWKTDKYZSXMW-UHFFFAOYSA-N 383.372 0.327 0 40 GCAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1 2952150 OPFXSOUKGOSVKN-UHFFFAOYSA-N 379.420 0.824 0 40 GCAB CCS[C@@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 4963022 SZULVJAZHGQZQY-YXMSTPNBSA-N 391.442 0.396 0 40 GCAB CNC(=O)[C@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@]23C=C[C@@]1(C)O3 5000473 XDZKHRZZZUCGTG-RZHZGLJTSA-N 387.480 0.884 0 40 GCAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O 5957541 BNHLBJXRGOUOCN-GXTWGEPZSA-N 393.440 0.828 0 40 GCAB COC[C@H](C)NC(=O)C1=CC(c2ccc(OC)c(OC)c2)=NS(=O)(=O)N1C 6800354 BZPKTYIIBAQTKR-NSHDSACASA-N 397.453 0.718 0 40 GCAB COCCN[C@@H]1[C@@H](O)[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CO[C@@H]1O2 12483750 HSTSMMPJELLAMS-DGXTUMSLSA-N 392.374 0.764 0 40 GCAB biogenic,in-vitro COCCn1c(S)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 13534630 RHWXVXDJQTWQMU-UHFFFAOYSA-N 384.483 0.901 0 40 GCAB CCOC(=O)C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCC4)CC1 13625165 INGUXBIVIBZQSS-UHFFFAOYSA-N 390.465 0.695 0 40 GCAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 14318920 HZPBKUHEXDJREJ-LBPRGKRZSA-N 388.511 0.939 0 40 GCAB O=C(O[C@H]1[C@H](Oc2ccccc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 15657775 FWPNCAYVELBDRB-BFMVXSJESA-N 390.388 0.222 0 40 GCAB in-vitro COc1c2c(cc3c1[C@H](c1c(O)n(C)c(=O)n(C)c1=O)N(C)CC3)OCO2 20111609 HISJDALBBLYXDU-CYBMUJFWSA-N 375.381 0.104 0 40 GCAB biogenic CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nncs3)c2)CC1 21213328 DCRNCRARALPTJD-UHFFFAOYSA-N 395.466 0.643 0 40 GCAB O=C(CNC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 36360067 ZZDSCFAZGGLOTK-NSHDSACASA-N 390.259 0.874 0 40 GCAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 40154491 FXUORYMRGSCUBC-ZDUSSCGKSA-N 396.513 0.939 0 40 GCAB Cc1ccc([C@@H]2[C@]3(O)[C@@H](O)[C@@H](c4ccc(C)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1 49588427 MJPRYKBMEQUDDW-DHGBTQKMSA-N 386.444 0.105 0 40 GCAB CN(CCCNC(=O)CCCn1nnc(-c2ccccc2)n1)S(C)(=O)=O 58014178 NAYIXUBGNMUEIW-UHFFFAOYSA-N 380.474 0.518 0 40 GCAB NC(=O)CN(CC(N)=O)C(=O)c1ccc(I)c(Cl)c1 95964103 CLUULTSNURMYLI-UHFFFAOYSA-N 395.584 0.357 0 40 GCAB CCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(=O)NC)CC2)s1 96104226 AUSQIKBEJNMZIQ-UHFFFAOYSA-N 394.540 0.624 0 40 GCAB NC(=O)NC(=O)CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 96941291 VUXFUJWIVXGERK-UHFFFAOYSA-N 378.820 0.703 0 40 GCAB COCCNC(=O)[C@H]1CN(C(=O)COC)C[C@H]1c1ccnc(N2CCCC2)n1 257264813 LWCASSJKIBJXKO-CABCVRRESA-N 391.472 0.028 0 40 GCAB CCCS(=O)(=O)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306125115 CHRBLSGZSOQNIB-CQSZACIVSA-N 388.511 0.827 0 40 GCAB C[C@]1(C[C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[nH]2)NC(=O)NC1=O 502124033 NGSVFWDPWYPDOY-FUXBKTLASA-N 389.338 0.486 0 40 GCAB Cc1ccc(S(N)(=O)=O)c(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c1 565386442 UEBXASMJHKHOQM-OAHLLOKOSA-N 394.497 0.067 0 40 GCAB CC(=O)N[C@H]1C[C@H]2CN(Cc3cccs3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332241995 HUBRURIJKZQYNG-ZOBUZTSGSA-N 390.509 0.564 0 40 GCAB Cn1c(SCC(N)=O)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 794813 RLXHWFWHQDPZLD-UHFFFAOYSA-N 393.856 0.713 0 40 GCAB Cc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4303944 IGRPTPGZIAJXSN-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB CN(C)c1cccc(C(=O)OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 6509541 FBKHZEWIMXOFLU-UHFFFAOYSA-N 384.392 0.746 0 40 GCAB COC(=O)C(=O)c1c(C(=O)OC)nc2nnc(N)n2c1-c1ccc(OC)cc1 8655744 IRUCWQFAVGQUNB-UHFFFAOYSA-N 385.336 0.524 0 40 GCAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 15223759 JWDROEPTMKFOIT-WTOAINDRSA-N 398.415 0.122 0 40 GCAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(CC4CC4)C3)nc(O)c2C1 19583773 XJBDVLDVKBTCDY-AWEZNQCLSA-N 395.529 0.936 0 40 GCAB CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)c2ccccc2O1 23058002 CSBYFJHSGCAFMJ-OAHLLOKOSA-N 392.437 0.169 0 40 GCAB COc1cccc(Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(C)c2=O)c1 23141087 WNCJAAAAPBYALW-UHFFFAOYSA-N 380.470 0.778 0 40 GCAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(N)=O 24655632 GJYYYKWHQNZVTI-VIFPVBQESA-N 376.381 0.783 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cncn2)o1 25151792 SUSNBOQCAXMJDW-UHFFFAOYSA-N 375.410 0.758 0 40 GCAB Cc1cc(C(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)c(C)n1C[C@H]1CCCO1 25255486 RUEURWYWFHUURI-HIFRSBDPSA-N 391.424 0.998 0 40 GCAB CN(C)c1nc(N)nc(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 27355790 NIFBTYOCEYOEBG-OAHLLOKOSA-N 399.455 0.004 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 31649324 LEZCXDNOHYVFJA-URWSZGRFSA-N 392.408 0.616 0 40 GCAB COC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 35269390 DSYYZBSWYRQDIM-UHFFFAOYSA-N 383.289 0.990 0 40 GCAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 95446823 MWUKILISCVLYMM-ZDUSSCGKSA-N 382.367 0.482 0 40 GCAB COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cccnc1)Cn1ccnc12 96243835 CAQZDGSLMABTOG-MRXNPFEDSA-N 399.451 0.457 0 40 GCAB O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 253405685 SZEXWGUSFZKEFE-UHFFFAOYSA-N 382.394 0.590 0 40 GCAB CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)C1 273674415 JWSLZQRINFVDQD-DZGCQCFKSA-N 395.481 0.839 0 40 GCAB CN(CCc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290958 YLGMQVCCJFJZCE-UXHICEINSA-N 390.505 0.957 0 40 GCAB Cn1cnc(-c2ccc(NC(=O)N3CCOC[C@H]3CNS(C)(=O)=O)cc2)n1 626489154 WMFHVUXYVBTBAH-CQSZACIVSA-N 394.457 0.264 0 40 GCAB Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n1 2086886910 BTGXSVVTOGVJEE-HOTGVXAUSA-N 376.505 0.609 0 40 GCAB CCCCOC[C@@H](O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 2070217 NFNYCIRXSFCBEW-QMMMGPOBSA-N 375.223 0.363 0 40 GCAB COc1ccccc1-c1nc(SCC(=O)O)c2c(=O)n(C)c(=O)n(C)c2n1 4341359 ISABZPPIMNJRSH-UHFFFAOYSA-N 388.405 0.880 0 40 GCAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc[n+]([O-])cc1 5962214 PHOFDFNCDLLXBG-MRXNPFEDSA-N 396.465 0.825 0 40 GCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 6756715 ZTNTUDHMXHBNCS-LBPRGKRZSA-N 389.437 0.595 0 40 GCAB C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 9077121 GQPNKJOPRFAKQF-JTQLQIEISA-N 398.466 0.864 0 40 GCAB Nc1c(C(=O)CSc2nnnn2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1 9712723 GEQFGHJCPNDLJP-UHFFFAOYSA-N 385.409 0.404 0 40 GCAB COc1ccccc1N1C[C@H](C(=O)OCc2cc(=O)n(C)c(=O)n2C)CC1=O 11387830 JLZTWGJUDAGZCC-GFCCVEGCSA-N 387.392 0.189 0 40 GCAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCO[C@H](C)C1 12345046 PXVRUZJKUSGBMG-CVEARBPZSA-N 381.498 0.629 0 40 GCAB COc1ccc(C)cc1[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 15031680 OMVRHGWGRIABKS-LBPRGKRZSA-N 385.424 0.628 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024747 CNPXUJXMQKDTRH-XLPNERPQSA-N 375.400 0.849 0 40 GCAB Cc1c(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)cnn1C 19553845 MRSAKKHUEKIRBR-UHFFFAOYSA-N 380.474 0.722 0 40 GCAB CCn1c(=O)c2c(N3CCN(C(=O)c4ccco4)CC3)ccnc2n(C)c1=O 23108521 BMGXUIDRTSSKTG-UHFFFAOYSA-N 383.408 0.671 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)nsc1N)[C@@H]1CCS(=O)(=O)C1 25066761 FCQFTFNHZCQJPA-NXEZZACHSA-N 375.472 0.615 0 40 GCAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1)C1CC1 25594610 VWEFUIQVSXGYSZ-RISCZKNCSA-N 386.495 0.680 0 40 GCAB Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 32901278 ARDWPVVHFIJCAY-UHFFFAOYSA-N 378.454 0.977 0 40 GCAB Cc1cc(CN2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)no1 43595202 FYCJGDKZOJDDAD-NSHDSACASA-N 377.367 0.877 0 40 GCAB C[C@@H](NC(=O)C[C@H]1OCCc2ccsc21)C(=O)N1CCS(=O)(=O)CC1 67279171 FWKWFLILULXJLD-DGCLKSJQSA-N 386.495 0.514 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1 70641424 KEYKUFUBBOGMOU-MRXNPFEDSA-N 389.433 0.700 0 40 GCAB COCCn1nc(C(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)ccc1=O 95424521 GBPRDNBFTQMUER-KRWDZBQOSA-N 381.335 0.898 0 40 GCAB CCN1C[C@]2(CC1=O)CN(C(=O)C1CCOCC1)CCN(C(=O)N(C)C)C2 96036248 NPZJAOIFCLHTBH-LJQANCHMSA-N 380.489 0.477 0 40 GCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96225633 REKMWJZNLWANDN-BLLLJJGKSA-N 399.494 0.953 0 40 GCAB CC1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@@H]21 96300091 OBROIGWEUCEWJH-NXEZZACHSA-N 397.478 0.032 0 40 GCAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CNC(=O)c1cncc(O)c1 257313649 UTMVEQYEXZOXNI-DZIWXPPMSA-N 386.452 0.907 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)Cc2noc3ccccc23)nc(N(C)C)n1 575606652 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20567970 UOAFKVAQLAXZPA-UHFFFAOYSA-N 383.514 0.990 0 40 GCAB NC(=O)Cn1c(CN2CCN(Cc3ccco3)CC2)nc2ccccc2c1=O 22930074 VVRIQHYQBMKFCF-UHFFFAOYSA-N 381.436 0.793 0 40 GCAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)N2CCCC2)CC1 30209170 OHCAFMOMRUCMRD-UHFFFAOYSA-N 390.465 0.627 0 40 GCAB CN(Cc1cc(F)cc2c1OCOC2)C(=O)Cn1cnc2c(cnn2C)c1=O 36392532 PWERKABQVWJVLW-UHFFFAOYSA-N 387.371 0.794 0 40 GCAB CN1C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)N3CCOCC3)cc2C1=O 48758226 BXHUHXQYYDZTPY-UHFFFAOYSA-N 388.424 0.078 0 40 GCAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 55546077 POGSJWJIKABPOZ-UHFFFAOYSA-N 397.478 0.813 0 40 GCAB Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 61718492 IBQJXCZSEMMVDU-UHFFFAOYSA-N 384.440 0.525 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 84370684 QNVSCAAQDDFNIB-ZIAGYGMSSA-N 387.889 0.984 0 40 GCAB Cc1ccc(C(=O)NCCC(=O)OCC(=O)N2CCC[C@H](C(N)=O)C2)c(O)c1 95952845 KAYCKMBUFJLATN-ZDUSSCGKSA-N 391.424 0.088 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)c1 225760969 ZJYBWBFWIYDTFZ-UHFFFAOYSA-N 389.437 0.449 0 40 GCAB COCCNC(=O)[C@H]1COC2(CN(c3ncc(F)cn3)C2)CN1CC1CC1 247818457 CFMNQFRPJBVOEN-OAHLLOKOSA-N 379.436 0.048 0 40 GCAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](Cc3ccncc3)C(=O)O)ccc21 655601221 HMAVKRKXUCYRKD-HNNXBMFYSA-N 389.433 0.829 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN3CC(=O)Nc4ccccc4OC[C@H]3C2)cn1 1772594671 JIHCJDGZLWUKPV-CYBMUJFWSA-N 391.453 0.126 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775967416 QPIUUEWPSNQIKX-UHFFFAOYSA-N 391.431 0.989 0 40 GCAB Cc1nc(N2CCN(c3ncnc4c3ncn4C)CC2)cc(-n2cccn2)n1 1889211610 TZDNOEHVMJMXLI-UHFFFAOYSA-N 376.428 0.974 0 40 GCAB Cc1ccccc1OCC(=O)NC1CCN(c2cn(C)c(=O)n(C)c2=O)CC1 1889358001 AHWXLOWMZRRUMW-UHFFFAOYSA-N 386.452 0.556 0 40 GCAB COCCn1c(SCC(=O)N2CCOCC2)nnc1-c1cn(C)nc1OC 12872431 DRDMBPLWQDAWNQ-UHFFFAOYSA-N 396.473 0.285 0 40 GCAB C[C@]1(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CCS(=O)(=O)C1 13736376 ZVTAGKUBQJJMHY-SFHVURJKSA-N 391.449 0.415 0 40 GCAB Cn1cc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 15330516 JSPLMLGNSHIYHG-UHFFFAOYSA-N 375.353 0.164 0 40 GCAB COC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19218789 PJQWYJATTRAOSP-VBKZILBWSA-N 389.452 0.977 0 40 GCAB COc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1Cl 19589728 AYMCIZFWTRQXOS-UHFFFAOYSA-N 375.878 0.889 0 40 GCAB CC(C)CNC(=O)c1cccnc1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 19708028 YXLHLONQNIYADV-HNNXBMFYSA-N 396.513 0.834 0 40 GCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1C 19819004 SGPAEVPGFAQZTB-NSHDSACASA-N 385.467 0.730 0 40 GCAB CCCCn1nc(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)ccc1=O 23023874 LQGXDICTXWUXTN-UHFFFAOYSA-N 399.451 0.944 0 40 GCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCN1CCc2ccccc2C1 31339515 ZBFCJVFCHOTWOM-UHFFFAOYSA-N 378.432 0.864 0 40 GCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3scnc3C)C2)nn1 72324231 ZKTBINRJWBOYMV-ZDUSSCGKSA-N 392.485 0.972 0 40 GCAB Cc1ccc(N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)nn1 77200504 UDQJWTKYMARJGV-UHFFFAOYSA-N 389.481 0.965 0 40 GCAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998908 RFLXVDBDOPUQSP-CYBMUJFWSA-N 383.470 0.820 0 40 GCAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N3CCOCC3)CC2)O1 96243681 TVXPAFIDMITGGZ-HNNXBMFYSA-N 391.472 0.550 0 40 GCAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(S(=O)(=O)c2cccs2)CC1 100885079 QKELCWYYBCYIFH-KBPBESRZSA-N 395.506 0.963 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)CCO1 263446727 REIQSAMVMPMRFV-AWEZNQCLSA-N 397.453 0.146 0 40 GCAB CC[C@@H](C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CCN(S(C)(=O)=O)C1)CC2 306132632 LOBJEYVVGQLBRA-SJKOYZFVSA-N 382.486 0.326 0 40 GCAB O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 528542716 QIGYJKOCYMYPAX-MRXNPFEDSA-N 377.466 0.870 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 575424037 JPKKXFJIIXJHSZ-NWDGAFQWSA-N 396.874 0.530 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 575615042 DUTGWYAHVYXDQY-UHFFFAOYSA-N 389.543 0.667 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccc(-c2csnn2)cc1 626324356 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Cc1nc(CCc2ccc(S(=O)(=O)N(C)C)cc2)[nH]c(=O)c1CC(=O)O 49468748 ITUGHGJCKNKYPX-UHFFFAOYSA-N 379.438 0.741 0 40 GCAB CC(C)CN(C(=O)CN1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 58144022 BDNMWUSXCUTGHJ-MRXNPFEDSA-N 395.529 0.270 0 40 GCAB CCn1nnc2c(N3CC(C(=O)NCc4nc5ccccc5[nH]4)C3)ncnc21 96096775 WGPUJSBOMHNETO-UHFFFAOYSA-N 377.412 0.870 0 40 GCAB CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)CC1 96119137 DGWASTMJZFRZBX-UHFFFAOYSA-N 389.412 0.940 0 40 GCAB CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 97015637 MEXFPHSLYBUHKK-CQSZACIVSA-N 397.478 0.832 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1 225515093 IOXZUPWKIJMWNW-UUWMRLDISA-N 399.875 0.263 0 40 GCAB biogenic,in-vitro CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)CC1 575611666 FQDABJYSTKJLKN-CYBMUJFWSA-N 388.877 0.781 0 40 GCAB Cc1noc(C)c1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243269 WOYAQNUJVZPYJZ-ZDUSSCGKSA-N 398.416 0.335 0 40 GCAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 5957537 BNHLBJXRGOUOCN-OCCSQVGLSA-N 393.440 0.828 0 40 GCAB Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1 6559718 KLVZWCAQMGHPND-UHFFFAOYSA-N 376.398 0.363 0 40 GCAB CN(Cc1cccs1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6637231 FZTITKDJDLQZGX-UHFFFAOYSA-N 381.845 0.807 0 40 GCAB COC(=O)c1nnn(CC(=O)NC(=O)Nc2cccc(C)c2C)c1C(=O)OC 8592157 SNVMUUHCPJVPKO-UHFFFAOYSA-N 389.368 0.816 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 8704596 FXCGBQLNVDEEDP-CYBMUJFWSA-N 394.435 0.861 0 40 GCAB Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2CCC(C)C)n1 12231664 FJRFZGGXXCLWIN-UHFFFAOYSA-N 387.444 0.231 0 40 GCAB C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O 14731367 IHTZOUNAFLBACM-WQAKAFBOSA-N 385.342 0.238 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 16731130 FJIWNEUFGSQPNQ-UHFFFAOYSA-N 394.453 0.319 0 40 GCAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 17079244 RHORPQSFVXSMJQ-RFGFWPKPSA-N 388.380 0.876 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1nc(C)cs1 18975494 PYLMQJSMTFXMFY-NSHDSACASA-N 391.540 0.695 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)CC1=O 19526960 WPWJYZMTMINMKN-RHSMWYFYSA-N 385.468 0.913 0 40 GCAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19572829 QHMGXTFACZKLGC-AWEZNQCLSA-N 380.470 0.551 0 40 GCAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)NC1CCCC1 20613959 OCMOBMXIVVWHLW-INIZCTEOSA-N 389.452 0.964 0 40 GCAB CN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 21548623 NTBSBACXVOPSOT-UHFFFAOYSA-N 375.878 0.409 0 40 GCAB COc1cc(CNCCNC[C@@H](C)O)cc(Br)c1OCC(N)=O 22075592 RDIGADSKUQOMNQ-SNVBAGLBSA-N 390.278 0.382 0 40 GCAB CC(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(S(C)(=O)=O)CC3)c[nH]c2c1 32092698 FIQXHABEXLQNRK-MRXNPFEDSA-N 394.453 0.829 0 40 GCAB O=C(Cn1cccnc1=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 32935661 YAVLHCFNAVQNIT-UHFFFAOYSA-N 386.437 0.699 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 40086467 LTGVBVWUVNFBMP-CHWSQXEVSA-N 380.422 0.067 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 44227574 MDZBMLOCGKDWJA-UHFFFAOYSA-N 388.467 0.272 0 40 GCAB COCCN(C)CCCNC(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C 48291045 IMNVRVSPWNSCIT-KRWDZBQOSA-N 378.452 0.989 0 40 GCAB O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 62213289 ZGHMOQJEZGQHSU-GFCCVEGCSA-N 383.857 0.783 0 40 GCAB COCCO[C@@H](C)C(=O)NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 72310709 VDTCQHWZZSBUJJ-NSHDSACASA-N 397.446 0.097 0 40 GCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2cccs2)c1=O 72341037 VSOGWIPFHQZSNS-UHFFFAOYSA-N 397.420 0.086 0 40 GCAB Cc1nnc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)n1C 95396796 NNXBKIIYJSJTKP-LJQANCHMSA-N 382.424 0.739 0 40 GCAB Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2nccs2)CCC3)cn1 96059657 HZFLNXWCWPDDQZ-UHFFFAOYSA-N 399.480 0.769 0 40 GCAB NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 216382680 VGZPRXOXJZXDBE-UHFFFAOYSA-N 395.481 0.186 0 40 GCAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)CN2CCOCC2)[C@@H]1O 257298202 RKPTZVFDIDOVOH-ZQNRLITLSA-N 382.432 0.216 0 40 GCAB CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 548026050 SJLWANXNTAXCSS-ZOBUZTSGSA-N 397.545 1.562 0 40 GCAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@@H](C)CC(=O)O)CC1 566481717 BITBUWVQFVQQRR-CYBMUJFWSA-N 383.470 0.744 0 40 GCAB COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 592389559 XWPXPBGUTHFRTA-LLVKDONJSA-N 397.375 0.548 0 40 GCAB CN(C)C[C@@]1(O)CCCN(Cc2nnc3n(C)c(=O)c4sccc4n23)C1 639760238 CWKBFHFMECVYAR-KRWDZBQOSA-N 376.486 0.531 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2scnc2C)CC1 2055745571 KLVQKLFLIDCLMI-UHFFFAOYSA-N 392.529 0.816 0 40 GCAB CCn1c(=O)c2c(nc(SCC(=O)NC3CCCCC3)n2C)n(C)c1=O 887156 YLPRRVLWOGTZBR-UHFFFAOYSA-N 379.486 0.995 0 40 GCAB C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 3874845 RIRGCFBBHQEQQH-OWLWOLCLSA-N 385.424 0.481 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 4994463 HUBNAZBHTDOFGE-CABCVRRESA-N 393.440 0.861 0 40 GCAB Cc1ccccc1-c1nnn(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 6646694 HREAXHZDADWHIQ-UHFFFAOYSA-N 386.437 0.612 0 40 GCAB NC(=O)Cn1c(=O)n(CC(=O)NCc2cccs2)c(=O)c2sccc21 6669899 LXGGHKCWELCYDH-UHFFFAOYSA-N 378.435 0.088 0 40 GCAB COc1ccc(-n2nnnc2SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 9613101 UWSCIAWOWALTRD-LBPRGKRZSA-N 397.482 0.409 0 40 GCAB CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nccc(Cl)n1 12411198 IZLHSIJOVPFNDO-UHFFFAOYSA-N 388.793 0.551 0 40 GCAB COc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1OC 12790549 IEMOHYMUAMJBRY-GFCCVEGCSA-N 395.437 0.808 0 40 GCAB CCOC(=O)N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 22197976 ICOUQCIUCLNQRL-UHFFFAOYSA-N 384.458 0.437 0 40 GCAB Cn1c(N)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 32776979 AFMJREVKVYJSAL-UHFFFAOYSA-N 396.498 0.913 0 40 GCAB CCN1CCN(S(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)CC1 57279529 DFACOWKDAVRRRN-UHFFFAOYSA-N 380.474 0.695 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 90610657 YSXAFNKDTNXIGE-HNNXBMFYSA-N 384.388 0.816 0 40 GCAB O=C(Cc1cn2ccccc2n1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95999009 KJLZWODVTOOFDF-MRXNPFEDSA-N 392.481 0.530 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncn3)C2)cc1 575612233 JXLKVLPBONNOJF-CYBMUJFWSA-N 378.410 0.183 0 40 GCAB Cc1cc(O[C@H]2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc(C)n1 585147320 BYPGPCVHGIPSLV-AWEZNQCLSA-N 396.469 0.415 0 40 GCAB CO[C@H]1C[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 623622908 NJJUNAMANIGBLC-WKILWMFISA-N 396.513 0.599 0 40 GCAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 649254471 NAFSBFQNSYDCAQ-GXTWGEPZSA-N 399.473 0.344 0 40 GCAB Cc1nnc2ccc(N3CCCN(C(=O)Cn4nnc5ccccc54)CC3)nn12 1775968765 UZBSXOIRHTYOPV-UHFFFAOYSA-N 391.439 0.916 0 40 GCAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O 4084683 JXDKFZAYYKIQGO-NVBFEUDRSA-N 377.422 0.480 0 40 GCAB biogenic CCOc1ccc(-n2nnc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc32)cc1 4139933 MLZIZUYWVHTJCS-OAHLLOKOSA-N 398.423 0.671 0 40 GCAB CCS[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4802838 YPNFVZQPWZMHIF-UYJHQMFVSA-N 392.426 0.823 0 40 GCAB CN(C)C(=S)S[C@H]1O[C@@H](CO)[C@@H](SC(=S)N(C)C)O[C@H]1CO 5339682 NSWFKRMBCOWTSI-AXTSPUMRSA-N 386.586 0.567 0 40 GCAB CCOc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1S(=O)(=O)N(C)C 9314834 KCOTWBSYJSYRIJ-NSHDSACASA-N 384.458 0.688 0 40 GCAB Nc1nccnc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 10141513 ZUIQLWVXKCMVBJ-UHFFFAOYSA-N 383.286 0.388 0 40 GCAB CC(C)OCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11997436 UZCZHJSXVPYSTO-UHFFFAOYSA-N 390.483 0.847 0 40 GCAB COC[C@@H](O)CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12900221 IOSMRLYTUVEKOG-ZDUSSCGKSA-N 375.425 0.625 0 40 GCAB biogenic O=C(O)/C=C/c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1 13249532 YSDDFXHRKCVTDU-CDVVCGDMSA-N 394.449 0.796 0 40 GCAB CC(C)C(=O)N1CCC(c2nc(O)c3c(n2)CCN(S(C)(=O)=O)C3)CC1 19085366 NGFJOJPPFTUHNI-UHFFFAOYSA-N 382.486 0.862 0 40 GCAB Cc1cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n2ncnc2n1 29721253 FVTCPJCRKYGATC-UHFFFAOYSA-N 391.435 0.851 0 40 GCAB COc1c2c(c(S(=O)(=O)N(C)CC(=O)N(C)C)c3c1OCO3)CCN(C)C2 40312564 NBULIVOJCSCCAO-UHFFFAOYSA-N 399.469 0.121 0 40 GCAB biogenic CC(C)Cn1c(N)c(-c2csc(CCN3CCOC3=O)n2)c(=O)n(C)c1=O 45816891 PIAGRNLKQRRFTC-UHFFFAOYSA-N 393.469 0.903 0 40 GCAB CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](CC(=O)O)C1 277198124 FBYKEEOGNAZISO-GFCCVEGCSA-N 390.483 0.812 0 40 GCAB O=C(Cn1c(O)nc2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524730253 BIRMZLICJHKFEL-KEYYUXOJSA-N 396.447 0.962 0 40 GCAB biogenic CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@H](c1ccccc1)C(F)F 626572677 SZXKRHAYCWNODB-CHWSQXEVSA-N 377.413 0.952 0 40 GCAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]2O1 1565547502 JKOHMBYTUHXZQB-SZMVWBNQSA-N 396.447 0.566 0 40 GCAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1OC 4479859 WMCNBWXSDCWBNO-AWEZNQCLSA-N 390.440 0.683 0 40 GCAB CC(C)NC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8168435 JYFNODCLZDFISZ-CYBMUJFWSA-N 385.461 0.867 0 40 GCAB COCCNC(=O)CSc1nnc(SCC(=O)NCCOC)s1 9492987 ODTOZFFYZUKAIO-UHFFFAOYSA-N 380.517 0.248 0 40 GCAB CC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 12322707 RXZCAXJYNIYJEY-UHFFFAOYSA-N 396.469 0.468 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ncccn3)CC2)cc1 15701204 LXAIVBHHOSVEBG-UHFFFAOYSA-N 389.481 0.754 0 40 GCAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 15956013 KBBYQRYOSLVUEW-ADLMAVQZSA-N 390.392 0.904 0 40 GCAB biogenic Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@H](C)O[C@H](C)C1 16991519 KUNAYMPXEPXVAB-TXEJJXNPSA-N 388.472 0.412 0 40 GCAB CN1C[C@H](C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)CC1=O 19587191 LVYSGZAPEASDCX-CYBMUJFWSA-N 398.467 0.568 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(OC)cc1 20636928 VIFHQHJEURAUFJ-CVEARBPZSA-N 388.424 0.175 0 40 GCAB CCN(CC)C(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228514 VSHICYAAALIINW-UHFFFAOYSA-N 397.497 0.235 0 40 GCAB CCCN1C(=O)C(=O)N(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 26615164 FUQQWMCNUUFVGH-UHFFFAOYSA-N 394.453 0.458 0 40 GCAB O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)NCc1ccco1 32616255 YHHRJECAWJWJPU-UHFFFAOYSA-N 391.387 0.863 0 40 GCAB CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 48303062 NYKBJHTYUQLFPZ-UHFFFAOYSA-N 383.470 0.289 0 40 GCAB CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 72260123 FNASBCNELZSFGT-UHFFFAOYSA-N 396.451 0.449 0 40 GCAB O=S1(=O)C[C@@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)[C@@H](O)C1 95452421 LCYVLVDGBBZPFE-KGLIPLIRSA-N 388.449 0.656 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CCO1 96006502 UCSPRRVNUMBDHU-INIZCTEOSA-N 397.497 0.452 0 40 GCAB CS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@]21CCNC1=O 96036351 KDLJOVNUQMJSKA-SFHVURJKSA-N 378.498 0.445 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccnc2-c2ncccn2)CC1 96099076 OYWMLLFVXBZTFW-UHFFFAOYSA-N 378.458 0.128 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 96121849 TWGVLECLIWUNOI-UHFFFAOYSA-N 392.474 0.448 0 40 GCAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@@H](C)N[C@H](C)C3)n2N)C[C@@H](C)N1 225149853 SPZVINZIPQHRFR-TVFCKZIOSA-N 392.596 0.222 0 40 GCAB COc1ccc(Cn2cc(CC(=O)N3C[C@]4(F)CNC(=O)[C@]4(F)C3)cn2)cc1 306124453 BQCCRUUTAUASFH-RTBURBONSA-N 390.390 0.871 0 40 GCAB CNC(=O)[C@H](CNC(=O)c1cn(C)c(=O)nc1O)Cc1ccc(F)cc1C 516471760 ATSCBGJXJAKEAM-LBPRGKRZSA-N 376.388 0.268 0 40 GCAB CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCCOCC1CC1 585138295 CJCANNNNPMTNQQ-UHFFFAOYSA-N 389.495 0.661 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@]3(OCCO)CCSC3)cc21 1565520494 WVJJBTSFSWSFOJ-HNNXBMFYSA-N 388.467 0.294 0 40 GCAB CC(C)N1C[C@]23CN(C(=O)c4ncc(Cl)cn4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565549889 HZDNNSCCRXLYFN-TYNCELHUSA-N 386.861 0.536 0 40 GCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)c3csnn3)C1)OC2 1565554994 NGQUWCTYARBMIW-INIZCTEOSA-N 389.441 0.227 0 40 GCAB Cn1cnc2ncnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c21 1888987882 ACMTVNNOTSUSAH-UHFFFAOYSA-N 383.437 0.634 0 40 GCAB COc1cccc(/C=C/C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1OC 2660187 XDBYGEHGRZEAFL-HSBSLETESA-N 397.449 0.906 0 40 GCAB Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138800 VOJBNGCAKOQXBV-UHFFFAOYSA-N 385.449 0.744 0 40 GCAB CCCCN(C(=O)COC(=O)[C@@H]1C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O 6641242 BGVLFCWITZBAKL-VXGBXAGGSA-N 380.445 0.861 0 40 GCAB CN(C)CCCNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029312 XMLJNDUIMGEFJH-HNNXBMFYSA-N 388.511 0.329 0 40 GCAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)cc1 12422912 GWDMEAOJKSPZGT-LBPRGKRZSA-N 387.421 0.640 0 40 GCAB CN1C(=O)NC2(CCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)CC2)C1=O 19714271 XLLIRHUEHYLGCQ-UHFFFAOYSA-N 399.451 0.352 0 40 GCAB Cc1cc(C)cc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 20567922 RSAIHSKQEBFOQW-UHFFFAOYSA-N 383.514 0.908 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 44227554 HWJFCJKGIIKSLS-UHFFFAOYSA-N 387.483 0.444 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)N2CCCN(C(=O)OC)CC2)ccc1OC 58202681 JRTPWSYVAQMQGW-UHFFFAOYSA-N 385.442 0.518 0 40 GCAB COc1ccc(N2Cc3nn(CC(=O)NCc4ccccn4)c(=O)n3C2=O)cc1 66091730 MHKPUXBADWQAIW-UHFFFAOYSA-N 394.391 0.753 0 40 GCAB CC1(C)CN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CCO1 70056585 ROASRLMODBRIBK-UHFFFAOYSA-N 397.501 0.806 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)cc1 70641422 KEYKUFUBBOGMOU-INIZCTEOSA-N 389.433 0.700 0 40 GCAB CS(=O)(=O)CCCS(=O)(=O)N1CC(OCCCOc2ccccc2)C1 79048737 FVCHYEXAXGDUOU-UHFFFAOYSA-N 391.511 0.921 0 40 GCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 96005499 IPKYRGQHOKEPAQ-OAHLLOKOSA-N 385.530 0.371 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cccs1)C2 96050454 YFWBYYPDBPKNQW-GOSISDBHSA-N 387.465 0.962 0 40 GCAB CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn23)C1 96267623 HVDOTEVMRHPPAR-ZBFHGGJFSA-N 399.499 0.976 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)o1 105773646 FCMMKPUCXSYWDI-RWMBFGLXSA-N 381.454 0.648 0 40 GCAB Cc1nnc2ccc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nn12 153501158 HGJIKVDPHOIPHR-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cccc(C)c1)S(C)(=O)=O 220513283 SEXMSNBBZAGDDP-KRWDZBQOSA-N 383.514 0.988 0 40 GCAB CN1C[C@H](NS(=O)(=O)c2ccc(C(=O)O)cc2Br)CC1=O 314964542 PAJMJCZZJPCBGH-MRVPVSSYSA-N 377.216 0.656 0 40 GCAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CC(=O)N2CCCC[C@@H]12 556761437 ZSTAHEQTLIEGPR-HOTGVXAUSA-N 380.489 0.320 0 40 GCAB CCC1(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(=O)N(C)C(=O)N(C)C1=O 1705175 FSJNPUICEJCQQT-UHFFFAOYSA-N 396.425 0.123 0 40 GCAB NC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 12811992 ZRMWBHYMAVWCLO-UHFFFAOYSA-N 398.460 0.449 0 40 GCAB O=c1cc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)nc2ccccn12 12910751 SOSIGNGGWQFXDS-UHFFFAOYSA-N 391.497 0.937 0 40 GCAB COCCCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)cc2)CC1 14183806 FNLBUAFCYGTKFC-UHFFFAOYSA-N 378.473 0.675 0 40 GCAB CCn1nnc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc21 14230158 YBNVMRZHFFIAKY-AWEZNQCLSA-N 377.470 0.396 0 40 GCAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C3)C1 19017052 YGVIMQJHCQUJLV-LSDHHAIUSA-N 385.468 0.566 0 40 GCAB COC(=O)[C@H](CN1CCN(CC(=O)NC(C)(C)C)CC1)[C@H](O)c1ccncc1 22922031 JMTXEBRTWXUXRZ-SJLPKXTDSA-N 392.500 0.437 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(C)c2)NC(=O)N[C@H]1C 23077437 FTRBHLNSZRPRMJ-LBPRGKRZSA-N 389.408 0.787 0 40 GCAB COc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 24365786 MQIQQBMTAFUAAZ-ZDUSSCGKSA-N 381.454 0.806 0 40 GCAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCCN2CCOCC2)cc1 28209679 SYLPMDSOAYIIHC-INIZCTEOSA-N 395.481 0.123 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)CC1 32101780 SFOGEVHWVPKKHX-AWEZNQCLSA-N 394.453 0.271 0 40 GCAB COc1ccc(CCNC(=O)Cn2cnc3c(C)n(C)nc3c2=O)cc1OC 32647441 DMHFDFXMHJCSBH-UHFFFAOYSA-N 385.424 0.815 0 40 GCAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 33330779 IVOIUYAXYJWPAC-UHFFFAOYSA-N 380.426 0.702 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 48280200 NHJWTRLVJOUALP-RYUDHWBXSA-N 387.440 0.952 0 40 GCAB O=C(NCC1(O)CCOCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72304478 FXZJDJHHKGERFZ-ZDUSSCGKSA-N 376.409 0.468 0 40 GCAB C[C@H](NC(=O)[C@H](C)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)cc1 78970404 GNFKUMXVVLAIHM-KBPBESRZSA-N 386.493 0.298 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(CCS(=O)CC[C@]516)[C@H]2[C@@H]43 104287749 RJOVTMHCDKITPS-JEDSELLYSA-N 381.457 0.931 0 40 GCAB Cn1nccc1C(=O)N1CC[C@@]2(CCn3ncnc3[C@H]2NC(=O)C2CCC2)C1 306137357 QUDMGHBFOAAHMO-DNVCBOLYSA-N 383.456 0.905 0 40 GCAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408596529 ZWXFPCCCDHYOMX-IZZDOVSWSA-N 378.337 0.614 0 40 GCAB COc1ccc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cc1C(N)=O 575619716 OWDXRTIWUCLWPA-UHFFFAOYSA-N 393.450 0.915 0 40 GCAB CCOc1ccc(N2CCN(C(=O)c3cnn4c3[C@H](CN)CCC4)CC2)nn1 595992877 YJPPJFHKGUENPO-AWEZNQCLSA-N 385.472 0.870 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565549384 VXKMGSNPRJVCPI-QKAVBZAFSA-N 385.464 0.938 0 40 GCAB Cc1cccc(OC[C@@H](O)Cn2c(N(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 4386212 HZHUGZRREYEGRP-ZDUSSCGKSA-N 387.440 0.248 0 40 GCAB O=C(O)CO[C@H]1CC(=O)N2c3ccccc3[C@]34CCN5C(=O)C(=O)[C@@H](C[C@@H]53)[C@@H]1[C@H]24 5049542 SOQOBVXYWQJKPR-PQMXAQGDSA-N 396.399 0.333 0 40 GCAB O=C(NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O)c1ccccc1 8624310 VQDGTWOHYBZUOE-IZZBFERCSA-N 396.443 0.885 0 40 GCAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 9051179 YCWAAGZZFKDGLC-OAHLLOKOSA-N 389.481 0.699 0 40 GCAB Cc1ccc(OC[C@H](O)Cn2c(NC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 12232252 YYBBHKJXGLXMCX-CYBMUJFWSA-N 387.440 0.992 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2ccccc2)CC1 14085036 FFTVTELJBSLYKB-ZDUSSCGKSA-N 382.486 0.664 0 40 GCAB C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1Cl 16017549 FIPCNCRDULILHH-JTQLQIEISA-N 375.816 0.965 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H]2CCOc3ccccc32)n(C)c1=O 19660321 DTEAHBZKXNGMSU-CYBMUJFWSA-N 383.408 0.464 0 40 GCAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606900 AFBNYOUWMHEIGN-CYBMUJFWSA-N 385.511 0.873 0 40 GCAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)cc(OC)c1OC 35590255 AHPXYURDTQFMCQ-OAHLLOKOSA-N 377.397 0.545 0 40 GCAB CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCN4CCOCC4)cn23)CC1 96155962 KIUWNXABCSPGPP-UHFFFAOYSA-N 399.495 0.670 0 40 GCAB COC(=O)C(=O)[C@H](C(=O)c1cccc2ccccc12)C1=Nc2nnc(N)n2C1=O 104247168 WEFCVDUSCSHBBM-LBPRGKRZSA-N 391.343 0.981 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(C)cn2)[C@H](O)[C@H]1O 257269433 MPXOAUKQYOXCIY-OYNZBZHQSA-N 397.439 0.427 0 40 GCAB Cc1ccc(CCNC(=O)[C@@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1 257336024 YMVDOUHPHJDUEH-INIZCTEOSA-N 391.497 0.792 0 40 GCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 306132572 LMNKAKFNRZZIIP-CQSZACIVSA-N 378.458 0.375 0 40 GCAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408590509 HQFZJFWQNQSQJP-UHFFFAOYSA-N 399.513 0.591 0 40 GCAB Cc1cc(C)nc(N2CCc3oc(C(=O)NC[C@H]4CN(C)CCO4)nc3C2)n1 585111613 DNZXPWQGCYXALA-AWEZNQCLSA-N 386.456 0.705 0 40 GCAB Cn1c(=O)c2c(ncn2Cc2nc(-c3ccc(C(F)F)nc3)no2)n(C)c1=O 664959119 XKLBROODZDYITR-UHFFFAOYSA-N 389.322 0.865 0 40 GCAB Cn1cnc(C(=O)N2CCC3(CCCn4c(C(=O)NCC5CC5)nnc43)CC2)n1 1565554998 NIUSUECHUFXHDV-UHFFFAOYSA-N 398.471 0.514 0 40 GCAB Cn1nc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)ccc1=O 1776008080 XKQPUKDSHAXMTO-UHFFFAOYSA-N 381.314 0.683 0 40 GCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2cnn(C)c2)CC1 2055771795 ZFPUPPCJKDTINS-UHFFFAOYSA-N 392.485 0.726 0 40 GCAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)COC)CC3)C1=O 2055795681 CNAFNHUBKCECHZ-HXUWFJFHSA-N 387.484 0.790 0 40 GCAB CC(C)CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 5216581 WUDLOQLEZAJIPM-GFCCVEGCSA-N 375.381 0.389 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1Cl 5878189 VJKMYHLMETUUAQ-NSHDSACASA-N 390.845 0.700 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1 13144973 KDNQWWVTTRIFDR-UHFFFAOYSA-N 394.434 0.577 0 40 GCAB CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)CC)CC3)C1 19501126 ODERPRAWBSGBJP-GFCCVEGCSA-N 382.486 0.594 0 40 GCAB CCOc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 19541340 JCFQBLZECGBQMP-UHFFFAOYSA-N 390.484 0.500 0 40 GCAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1 20245896 MXVHZDWGDNJJQP-UHFFFAOYSA-N 384.502 0.381 0 40 GCAB CN(C)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 22780880 GRVZESRFUBQAAG-UHFFFAOYSA-N 387.484 0.223 0 40 GCAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)NCc1ccco1 32616289 IDHTYZSNDRVWCI-UHFFFAOYSA-N 391.387 0.863 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N3CCCN(Cc4ccccc4)CC3)cnc21 40033934 NRYDVIRZVZFIIB-UHFFFAOYSA-N 380.452 0.865 0 40 GCAB O=C(O[C@@H]1[C@@H](Oc2ccccc2CO)O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 43199458 FWPNCAYVELBDRB-JAYZULETSA-N 390.388 0.222 0 40 GCAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(OC)c1 44974196 ANFHRWYXJZWIDI-AWEZNQCLSA-N 387.392 0.803 0 40 GCAB CC(=O)c1ccc(N2CCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)CC2)cc1 70838858 RSNKCZARDJIBGJ-UHFFFAOYSA-N 391.493 0.962 0 40 GCAB COc1ccccc1OC[C@H](O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 71282900 AKSVXYZOGYTODJ-JKSUJKDBSA-N 384.498 0.240 0 40 GCAB CC(=O)c1cccc(OC[C@H](O)CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 89331565 SOWXVCDNJVLHRO-AEFFLSMTSA-N 382.482 0.785 0 40 GCAB O=C(c1cc[nH]n1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96146004 DMESWUMFQYBFNA-KMFMINBZSA-N 389.437 0.002 0 40 GCAB O=CN1CCN(c2c(NC3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1 101709501 OYTPOQYZWLBTLD-UHFFFAOYSA-N 382.464 0.638 0 40 GCAB COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@@H]43)[C@H]2C1=O 138266868 FPRPJYTYDKSJPK-DUCPHNGVSA-N 378.431 0.718 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ncccc2C)[C@H](O)[C@H]1O 257235597 GYNNSPBOSPTSRD-MPTQWLOMSA-N 397.439 0.427 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ccnnc3)CC2)CC1 257316284 VEYAMKWMKHQVEW-IBGZPJMESA-N 375.473 0.434 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cn(C)nc3C)CC2)CC1 257320978 VZOXCODEMFRUFQ-HXUWFJFHSA-N 391.516 0.686 0 40 GCAB COc1cccc(N2C[C@@H](C(=O)NCc3nc(OC)nc(OC)n3)CC2=O)c1 575604379 YYXOYHZIPCTZPZ-NSHDSACASA-N 387.396 0.567 0 40 GCAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@@H](CNC(=O)[C@@H]1CCOC1)OC2 1565556434 TZVIFCUCMOLOED-CVEARBPZSA-N 398.463 0.944 0 40 GCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(CC)c1 4371038 YCHYQBVSEZSFLP-ZDUSSCGKSA-N 387.440 0.857 0 40 GCAB CC(=O)N[C@H](COC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O 4990528 KQLKRKAMQRLYLO-WCVJEAGWSA-N 389.401 0.069 0 40 GCAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)N[C@@H]1CCS(=O)(=O)C1 6321936 YPAAHCVXUMTJCB-ZBFHGGJFSA-N 397.449 0.705 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 7781578 FPPYIBKYSAOKFK-UHFFFAOYSA-N 397.478 0.514 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 8855935 SIEXEYMGXVURAX-BTDLBPIBSA-N 395.485 0.336 0 40 GCAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(S(N)(=O)=O)cc1 9834120 ITRNQDLIEIUAOE-BMLIUANNSA-N 394.453 0.232 0 40 GCAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CN3C(=O)CCC3=O)nc12 12146374 OOGUMRLMVWEYLN-UHFFFAOYSA-N 381.392 0.223 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H](C)O1 14197726 YWSJDJYVOUJMKN-PHIMTYICSA-N 397.544 0.442 0 40 GCAB COc1ccc(C)cc1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O 20567904 VRDSRUGOCVEDJS-UHFFFAOYSA-N 399.513 0.608 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1=O 36398432 ZHYLJFVCFRPFNV-SFHVURJKSA-N 397.476 0.727 0 40 GCAB Cc1nccn1-c1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cn1 40150103 LDBUPEMRKXYNEN-UHFFFAOYSA-N 391.391 0.774 0 40 GCAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 48236836 GRRCJDNUBKXVOR-CYBMUJFWSA-N 392.437 0.326 0 40 GCAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)NC[C@@H]1CCCO1 49409309 HMFURTQFRVMPPO-HNNXBMFYSA-N 397.497 0.708 0 40 GCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102274882 GWLQEMNWCUOOMH-GASCZTMLSA-N 391.449 0.827 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 105352839 RNCNDEZJKDJMRW-UZLLUDBASA-N 393.827 0.088 0 40 GCAB O=c1c2ccccc2nnn1CCNS(=O)(=O)c1ccc(-n2cccn2)cc1 238827162 FAKRJLKFCHLHGZ-UHFFFAOYSA-N 396.432 0.956 0 40 GCAB CNc1nc([C@@H]2CCNC2)nc2c1CCN(S(=O)(=O)N1CCCCC1)C2 257260442 LCVQUHCMTJOKQY-CYBMUJFWSA-N 380.518 0.684 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc3nncn3n2)CC1 502108931 WTCZDUFTSGMLAX-UHFFFAOYSA-N 377.430 0.630 0 40 GCAB CCOC(=O)c1cc(NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)n[nH]1 562655282 HWCDMSMEILTXFF-JTQLQIEISA-N 379.394 1.150 0 40 GCAB Cc1cccc([C@@H](C)c2cncn2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1C 575417498 WITSQVDDNFJZMV-FNKINCDTSA-N 376.409 0.716 0 40 GCAB CN(C[C@@H]1COCCO1)c1nc2c(c(N(C)C[C@@H]3COCCO3)n1)SCC2 664340860 LVAFBCJAFZHUAO-ZIAGYGMSSA-N 396.513 0.828 0 40 GCAB O=C(O)[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 666531232 XXSRGLSJPYHXRP-ZFWWWQNUSA-N 377.397 0.161 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5cn(C)cn5)C[C@H]4C3)n1)CCC2 1888890090 OSCPRLOWHQVXCI-OKILXGFUSA-N 388.497 0.764 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)COc1ccccc1 828767 WZZZFYKZFBQDSA-CQSZACIVSA-N 399.451 0.854 0 40 GCAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(N)=O)cc3)c2=O)cc1 2973178 YZEVWYRBMBROLI-UHFFFAOYSA-N 380.360 0.886 0 40 GCAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 12649167 ABFLCXXJEITOGZ-BETUJISGSA-N 394.424 0.613 0 40 GCAB Cc1c(C)c2ccc(OCC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)cc2oc1=O 12894828 IIIFOWJXSLCDDL-UONOGXRCSA-N 381.406 0.063 0 40 GCAB biogenic C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N[C@H]1CCS(=O)(=O)C1 14251338 LFQOSABUDPRQHM-ONGXEEELSA-N 398.462 0.579 0 40 GCAB C[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O 22934801 ZIAARKYDYSPVEE-MRXNPFEDSA-N 382.530 0.595 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccnc3)CC2)C[C@@H](C)O1 40081197 UXDBJZKQTHWQOF-AXHPFZFWSA-N 394.497 0.593 0 40 GCAB O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 42001444 OOFBKLRJRVIBTQ-CQSZACIVSA-N 375.450 0.887 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 43061447 QMWAQTDQURRLGJ-UHFFFAOYSA-N 384.392 0.986 0 40 GCAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3snnc3C)CC2)s1 49369424 KJCCCDTWGMWDFC-UHFFFAOYSA-N 399.527 0.499 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1 56903508 SBEYTZQASODRDJ-UHFFFAOYSA-N 391.435 0.753 0 40 GCAB O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1 70641496 YPTOBEAVQOSHGR-KRWDZBQOSA-N 381.436 0.553 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2c(=O)n(Cc3cccs3)c3ncccc32)CC1 72346843 IEUAEWTTWDYKDW-UHFFFAOYSA-N 399.476 0.999 0 40 GCAB CN(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 96251324 AXCXDFXCCSVTFN-APWZRJJASA-N 376.505 0.704 0 40 GCAB CC(=O)NCc1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 107076568 CLPIUSSYKFZUDI-YXAMBPQSSA-N 387.461 0.921 0 40 GCAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nn1 225445767 RFYPHUNEORDDOR-CQSZACIVSA-N 397.501 0.194 0 40 GCAB Cc1nc(N)nc(C)c1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257243270 IGDQPKQSLNUCMO-GOSISDBHSA-N 396.495 0.807 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OCC 408701342 WLISFDYBDRHUQB-UHFFFAOYSA-N 399.513 0.836 0 40 GCAB COC(=O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@H](C(=O)OC)S1(=O)=O 575410843 NEBMSDWSLGDASG-KPWCQOOUSA-N 383.378 0.756 0 40 GCAB NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 593292272 ZVDRCOXTRWLCPS-UCRBLCQZSA-N 384.546 0.432 0 40 GCAB COc1cc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NC(C)C)CO2)on1 1565546361 YYVMEPWZAKFDFL-SNVBAGLBSA-N 377.401 0.426 0 40 GCAB NC(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21 2498533 OTGQLPPLAKEGTM-UHFFFAOYSA-N 386.452 0.878 0 40 GCAB Cc1nn(C)cc1S(=O)(=O)Nc1cn(C)nc1C(=O)NCc1ccco1 2804838 DIWGKSRPFHVACU-UHFFFAOYSA-N 378.414 0.786 0 40 GCAB Cc1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1C 7777236 JIRPWTZIFIZGMA-CHWSQXEVSA-N 388.515 0.410 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCO)C2)cc1Cl 9974634 JOTTYVQCFBQWKL-LLVKDONJSA-N 376.862 0.858 0 40 GCAB COCC(=O)N1CCC(O)(Cn2cnc3cc(OC)c(OC)cc3c2=O)CC1 19592727 RGOWOAIPRWXOMB-UHFFFAOYSA-N 391.424 0.414 0 40 GCAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(OCC(=O)OC)c2)cn1C 24957227 SMEYVVURAVNKPB-UHFFFAOYSA-N 381.410 0.737 0 40 GCAB O=C(CCN1CCN(c2cnccn2)CC1)N1CCN(c2ccccn2)CC1 27635462 QQJSRQTVRBLTDL-UHFFFAOYSA-N 381.484 0.733 0 40 GCAB COCCn1c(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc(C)c1C 32894008 IVNZQHRBQPGTRL-HNNXBMFYSA-N 375.516 0.932 0 40 GCAB Cc1nccn1-c1ncc(NC(=O)COc2ccc(-n3cccn3)nn2)cn1 90607712 IBYVCMKOOKSBLP-UHFFFAOYSA-N 377.368 0.964 0 40 GCAB Cc1cc(C(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)sc1C 262955650 PIEXKRNYBAYKRR-LBPRGKRZSA-N 390.483 0.552 0 40 GCAB CC(=O)Nc1ncc(S(=O)(=O)NCc2nc(C3CCOCC3)no2)s1 575618964 YEUUPIFVQOCAAW-UHFFFAOYSA-N 387.443 0.857 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2nc(C3CC3)ccc2=O)cc1 575620380 QKHNCHFPJKPPPG-UHFFFAOYSA-N 376.438 0.127 0 40 GCAB CC(C)(C(=O)O)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 649455877 JQXPKTDFTJTGDM-UHFFFAOYSA-N 382.438 0.485 0 40 GCAB C[C@]1(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)Oc2ccccc2NC1=O 1586898460 ICANUDSJWXFQLN-MOPGFXCFSA-N 386.408 0.613 0 40 GCAB Cc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(N2CCOCC2)n1 1889152055 IGSBMAHHYAAIQE-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB CNC1=NC(=O)C[C@H](C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)S1 987301 YILQVMRYAKFPHN-LLVKDONJSA-N 379.394 0.806 0 40 GCAB CC(C)N(C(=O)COn1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(C)C 3376239 VMFXXWOOPJHJHR-UHFFFAOYSA-N 383.474 0.756 0 40 GCAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 5067503 GWZKVOFSEDYVEX-WCBMZHEXSA-N 381.142 0.833 0 40 GCAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCS(=O)(=O)C1 5981366 SKAJDLBNFSVCJF-ZDUSSCGKSA-N 380.422 0.274 0 40 GCAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N(C)CC(=O)NC(C)(C)C 8744693 NOBYCLVRQFSNDA-LBPRGKRZSA-N 396.513 0.458 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 11210735 XYZLSBJTSRUNQP-UHFFFAOYSA-N 376.373 0.765 0 40 GCAB C[C@@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1 12750284 YFXWLNNZVXNWSS-CQSZACIVSA-N 378.447 0.188 0 40 GCAB C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 12903408 SVWYABJSMDNJHL-NEPJUHHUSA-N 388.417 0.283 0 40 GCAB O=C(CCn1cncn1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267372 CDMYXCJGUMZAFV-KRWDZBQOSA-N 390.469 0.637 0 40 GCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O)C(=O)O 16899524 DHBQQLWKZUFZDM-NWDGAFQWSA-N 380.378 0.339 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC1 20723290 OPGFJHREZGRVAY-UHFFFAOYSA-N 377.422 0.162 0 40 GCAB CC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 22242651 SPTVGKDSPVWCRE-UHFFFAOYSA-N 375.473 0.114 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)Cc4cn5ccsc5n4)CC3)ncnc21 23462474 DTZQEJMRBNRQOR-UHFFFAOYSA-N 382.453 0.964 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 24806446 BRDTVUGTCYBFNN-SWLSCSKDSA-N 388.424 0.114 0 40 GCAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCC(=O)N2CCCC2)n1 36358339 MQVUTUYELKBEAC-UHFFFAOYSA-N 387.396 0.959 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc3c(c2)OCO3)C[C@@H](C)O1 40089319 DDNFLHINQVQRQS-OKILXGFUSA-N 398.481 0.903 0 40 GCAB CCCn1c(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n[nH]c1=O 48314790 MUPFYSQIYMIIAQ-JTQLQIEISA-N 398.441 0.800 0 40 GCAB CN(C)C(=O)COC1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 79013367 ZSKGKUUOIWUBHF-UHFFFAOYSA-N 381.454 0.156 0 40 GCAB Cc1cnc2n(c1=O)C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)CS2 90609595 BJTKNNMIFLBFJK-GFCCVEGCSA-N 394.478 0.237 0 40 GCAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(S(=O)(=O)C2CC2)C1 96244618 MZHFKCJKKAIPAR-GOSISDBHSA-N 394.497 0.588 0 40 GCAB CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2S(C)(=O)=O 96251595 IHPLHZXYPUHUQM-QWHCGFSZSA-N 380.532 0.472 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ncn[nH]2)cc1C 226044930 YHIPVFXEDGPMIW-UHFFFAOYSA-N 399.498 0.651 0 40 GCAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)ccc1OCC(N)=O 226687786 DOTCIUPHMOYUEC-CQSZACIVSA-N 397.497 0.784 0 40 GCAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 227161822 BAUNVBRPMBHEDG-CYBMUJFWSA-N 395.481 0.967 0 40 GCAB CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(C(=O)c4cccnc4)CC2)[C@H]3C1=O 247963632 GOYOXEZNFXTNQR-MXTNKPTQSA-N 381.432 0.915 0 40 GCAB COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c(OC)c1 409028807 SZWQUYHSIJESBL-UHFFFAOYSA-N 399.469 0.194 0 40 GCAB C[C@H]1CN(C(=O)Nc2nnc(C3CC3)s2)CCN1C(=O)c1cnn(C)c1 571037607 UQHAXIINOFQJNT-JTQLQIEISA-N 375.458 1.527 0 40 GCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)c4csnn4)CC3)[C@@H]2C1 1565548640 GSJYMGAODDPXLC-CHWSQXEVSA-N 379.486 0.179 0 40 GCAB Cc1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)ccc1-n1cnnn1 1352249 KNYDHZXZLJFTPG-UHFFFAOYSA-N 386.441 0.272 0 40 GCAB CCN(CC(=O)NC(C)C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 9390289 AOMHJUXBBCDUCP-UHFFFAOYSA-N 381.454 0.459 0 40 GCAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 32913176 YRIKVYXYBSXSSS-UHFFFAOYSA-N 393.450 0.930 0 40 GCAB Cn1cnnc1SCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 62720438 XMIOVDBHKCTULH-UHFFFAOYSA-N 386.235 0.107 0 40 GCAB O=C(Cn1ccnn1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999163 JJGJCUQDNPBVBE-HNNXBMFYSA-N 375.454 0.662 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(CC1CCOCC1)C2 96050466 GMEWTZKYSZNZBG-LJQANCHMSA-N 375.473 0.486 0 40 GCAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn12 107295031 IYVAFEHMNPYJNF-UHFFFAOYSA-N 390.333 0.907 0 40 GCAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 113972633 WSGQPARBGCQNIN-AWEZNQCLSA-N 395.481 0.769 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCSc2ncn[nH]2)c1 225928055 YDSKZMHTGYPFMK-UHFFFAOYSA-N 383.499 0.951 0 40 GCAB CNC(=O)[C@@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@@]1(C)O3 245227876 XDZKHRZZZUCGTG-IRIXXLTMSA-N 387.480 0.884 0 40 GCAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(=O)n(C)c(O)n4)CC3)ncn2)n1 1889139372 LIQCOJDVYPAMRH-UHFFFAOYSA-N 382.428 0.405 0 40 GCAB Cc1nn(CC(=O)NCCOc2ccccc2)c(C)c1S(=O)(=O)N(C)C 6844813 DDFRXIYZQYNTOF-UHFFFAOYSA-N 380.470 0.945 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2N2CCCC2)n(C)c1=O 8166157 ITIHYXURFMFAMG-UHFFFAOYSA-N 382.424 0.673 0 40 GCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccccc1 9477022 QLIQOAQQMKTFNY-KRWDZBQOSA-N 385.420 0.851 0 40 GCAB CC(=O)N1CCc2cc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)ccc21 12821130 CENQRKGCDZSPMR-UHFFFAOYSA-N 393.403 0.794 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C(=O)N[C@@H](CO)CSCc1ccccc1 17042487 PVVOXOJGFNXJJC-DANTVBBOSA-N 375.450 0.795 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2-n2cnnn2)cc1 20738701 NYMOKJIUJZCRPP-UHFFFAOYSA-N 390.400 0.421 0 40 GCAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 40086599 MOFLENDXMNPXCD-WDEREUQCSA-N 383.495 0.996 0 40 GCAB Cc1cc(C)nc(NCCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 95478513 JMPLXECALNZLJA-OAHLLOKOSA-N 381.502 0.227 0 40 GCAB COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1c(O)nc2ccccn2c1=O 96114617 YJGIREFPDYGOHJ-CQSZACIVSA-N 397.387 0.959 0 40 GCAB biogenic C[C@@H](Cn1cncn1)NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 97000341 HUGIHLXOCMWHJC-ZACQAIPSSA-N 391.520 0.498 0 40 GCAB Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 257296174 RBNUJUSNUFGGKM-YSHGAJCASA-N 386.452 0.432 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1cc(-c2ccccc2F)on1 585123643 TYULRUCCMVSZQX-NSHDSACASA-N 398.416 1.263 0 40 GCAB COCCN(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 4848413 QZLQLPYKZRIWMF-ZDUSSCGKSA-N 398.485 0.632 0 40 GCAB NC(=O)COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 8777980 CWNVVTCCNISRIZ-UHFFFAOYSA-N 383.360 0.693 0 40 GCAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NCCN1CCCC1 9907293 QDVNPXOXBFUPCT-UHFFFAOYSA-N 392.475 0.703 0 40 GCAB CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 12342558 ORPWHDPCKJWVIC-YNEHKIRRSA-N 384.477 0.517 0 40 GCAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 15223755 JWDROEPTMKFOIT-OIFGIKDZSA-N 398.415 0.122 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]2CCCN(S(C)(=O)=O)C2)nc1 19706013 AOYGOCGVESHFKJ-CQSZACIVSA-N 394.497 0.571 0 40 GCAB Cn1cccc1[C@H](CNC(=O)C(=O)NCc1cccs1)N1CCOCC1 21156182 USEDUSWPQINGBM-INIZCTEOSA-N 376.482 0.893 0 40 GCAB O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccc1CN1CCOCC1 29438771 MLIXLCOKJMDBHR-UHFFFAOYSA-N 399.495 0.920 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2Br)nn1 32816386 DJUWGJVGNGRMKI-SECBINFHSA-N 385.243 0.947 0 40 GCAB CCOc1ccc([C@H]2CCCN2C(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 52487638 OPJZIORXEZEZKU-QGZVFWFLSA-N 396.513 0.570 0 40 GCAB COc1cc2nc(C)n(CC(=O)N[C@H]3CN4CCC3CC4)c(=O)c2cc1OC 96114034 XIBQHCDDXYMVFT-INIZCTEOSA-N 386.452 0.933 0 40 GCAB biogenic CNC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(CCc1ccc(OC)cc1)S3(=O)=O)O2 96146030 GQDZFJSOIVVVAK-RYRKJORJSA-N 395.481 0.434 0 40 GCAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(N2C(=O)CCC2=O)C1 225695006 WWWCAOBOBOIXPT-UHFFFAOYSA-N 391.449 0.445 0 40 GCAB O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C1CCOCC1)C2 514290178 UZFAMEZHPLDMBR-WOJBJXKFSA-N 385.508 0.740 0 40 GCAB biogenic,in-vitro Cc1n[nH]c(C)c1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCCCC2)n1 575608620 VTPQCRQHYDEGLB-UHFFFAOYSA-N 394.505 0.746 0 40 GCAB Cc1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 4225853 KRVVDHSLLYPKNB-UHFFFAOYSA-N 382.468 0.542 0 40 GCAB Cc1ccc(C2=NN[C@H]([C@@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 6204415 MMIZAZUVAUSVMY-TZNCUMHOSA-N 384.498 0.315 0 40 GCAB CCn1ncc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 6633935 UMBQYGUNYYKHTO-RFGFWPKPSA-N 392.412 0.192 0 40 GCAB COC(=O)c1ccc(Cn2nc3n(c(=O)c2=O)CCN3c2ccc(OC)cc2)o1 8849267 PLYFCNPEUFQTIK-UHFFFAOYSA-N 398.375 0.993 0 40 GCAB COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4cc(C)on4)cnc32)cc1 9412813 BCTVWXASZYOYDG-UHFFFAOYSA-N 381.352 0.921 0 40 GCAB Cn1c(=O)c2c(ncn2C[C@H](O)COCc2ccccc2Cl)n(C)c1=O 12629496 ASMLPMWVYBESRT-LBPRGKRZSA-N 378.816 0.665 0 40 GCAB CC1(C)Oc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2NC1=O 19460383 HENJGPGTEUDADC-UHFFFAOYSA-N 383.470 0.797 0 40 GCAB Cc1ccc(OCCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 24765680 BWJWJERHCGOMSV-UHFFFAOYSA-N 375.381 0.170 0 40 GCAB Cc1cc(C)cc(NC(=O)Cn2nc3c(N4CCOCC4)nccn3c2=O)c1 49399921 STHVGTLRHJYIMI-UHFFFAOYSA-N 382.424 0.983 0 40 GCAB COc1cccc(N2CCN(C[C@@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)c1 71280283 ZFGPUGOQZJEOII-OAHLLOKOSA-N 376.457 0.509 0 40 GCAB CCOc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1-c1ccccc1 72265212 NIDLTWDXQGMQOK-UHFFFAOYSA-N 378.454 0.988 0 40 GCAB COC(=O)c1sccc1NC(=O)C(=O)NC[C@H](c1cnn(C)c1)N(C)C 95461385 VOEKSCIWKLLEMO-GFCCVEGCSA-N 379.442 0.626 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)c3ccc(OCCCN)cc3)C[C@H]2O)c(O)nc1=O 257292212 QKMHLEIMQHJXDX-HZPDHXFCSA-N 388.424 0.043 0 40 GCAB CN1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C[C@H]1Cc1ccccc1 614605150 WFWOCVSQPRGWFK-GOSISDBHSA-N 384.484 0.954 0 40 GCAB CN1C[C@@H](O)CNS(=O)(=O)c2ccccc2O[C@H]2CN(C3CCC3)C[C@H]21 1534613770 XZZFMVSJRYMZRL-UXLLHSPISA-N 381.498 0.255 0 40 GCAB CN1C(=O)C[C@H](C(=O)NCc2cccnc2N2CCOCC2)[C@H]1c1nccn1C 1615592582 YRBUQTSPOZPYKB-RDJZCZTQSA-N 398.467 0.488 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@@H]3CCN(C4CCOCC4)C3)cc21 1888896948 ILWAFIPNRCMABX-GFCCVEGCSA-N 381.454 0.663 0 40 GCAB CCOC(=O)N1CCC(N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)CC1 2037985515 MJGZNRHUROVURK-LJQANCHMSA-N 383.489 0.946 0 40 GCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccccc2F)c(=O)n(C)c1=O 2630005 ZEQIKELWVWUJHJ-UHFFFAOYSA-N 377.372 0.964 0 40 GCAB CCN(CC)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2733125 DYDKWSZEQQVIQK-MRXNPFEDSA-N 399.561 0.977 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1c(F)cccc1Cl 5147947 ISSDPDVHHMAGEC-UHFFFAOYSA-N 392.822 0.674 0 40 GCAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCC(=O)N3C(=O)[C@@H]3CCC(=O)N3)ccc12 5792748 SHGOIFDEBDGGCG-UONOGXRCSA-N 397.387 0.836 0 40 GCAB CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@@H](COC(C)=O)[C@@H]1OC(C)=O 5900326 KXCZDMXWZFGETJ-BRFLTPSNSA-N 395.408 0.666 0 40 GCAB Cc1ccc2nc(Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)cc(=O)n2c1 7990179 ZBEZLYXOWZDVLD-UHFFFAOYSA-N 386.799 0.452 0 40 GCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccccc2)n1 9037411 WOTMVICFAUHMEY-UHFFFAOYSA-N 380.408 0.870 0 40 GCAB C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(N)=O 13102891 RQZNXSWEYPHVAI-PWSUYJOCSA-N 384.410 0.028 0 40 GCAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CC(=O)N(C)C3)ncc2C1 19018162 ZNQMXBUWYGICHQ-PBHICJAKSA-N 385.468 0.913 0 40 GCAB CCn1nc(C)c(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1C 19715462 WVOUUZPMRJTUEA-UHFFFAOYSA-N 398.533 0.417 0 40 GCAB COc1ccccc1CN(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23594084 LXVSJLDKZHWGRD-CQSZACIVSA-N 393.465 0.819 0 40 GCAB CCC(CC)NC(=O)COC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC 25390495 HWTSNZAQJIJENM-UHFFFAOYSA-N 396.440 0.948 0 40 GCAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 27309326 LBWBAUBXSPBUQQ-MRXNPFEDSA-N 398.510 0.732 0 40 GCAB COCc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 30697913 XDPNHRURWWSJHR-UHFFFAOYSA-N 396.513 0.083 0 40 GCAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)C2CCN(S(C)(=O)=O)CC2)n1 35588033 GIIDMTFUMDQRLO-UHFFFAOYSA-N 394.457 0.595 0 40 GCAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)Cc4ccccc4)CCO3)nc2n(C)c1=O 257243871 IIXSTXQMFSLVPV-KRWDZBQOSA-N 394.431 0.775 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1c[nH]cn1 257273629 NHMNICLIDBQSRR-YSHGAJCASA-N 386.452 0.546 0 40 GCAB C[C@H](C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1)c1cccs1 583621991 GGDJTHQNBAREBQ-JSGCOSHPSA-N 376.482 0.640 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)Cc3ccn(C)n3)O2)cn1 585108538 QOPFRYVOWBHMRV-BRWVUGGUSA-N 384.440 0.136 0 40 GCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)CC1(O)CCC1)C2 1565547005 LVNHLSFAUPFJRG-CYBMUJFWSA-N 378.473 0.669 0 40 GCAB Cc1csc(C(=O)N2C[C@H]3O[C@@H](C2)[C@H]2[C@H]3CN(CCN(C)C)S2(=O)=O)c1 2055739040 IZQAIBCNFTYRAP-KNCOVGOOSA-N 399.538 0.472 0 40 GCAB NC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 3444576 KJEHIZZDMJQJLJ-UHFFFAOYSA-N 395.368 0.978 0 40 GCAB O=C1CCC(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)=NN1 4334038 JGPYPEHWKNVLPP-UHFFFAOYSA-N 379.170 0.766 0 40 GCAB COc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC 4374625 UTRJWRULHPPSNW-ZDUSSCGKSA-N 390.440 0.716 0 40 GCAB COc1cc(/C=C\C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC 4478391 YPRFVGALQWEGPB-SREVYHEPSA-N 375.381 0.762 0 40 GCAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O 7021664 MCCBUAPWTNFGEE-CYBMUJFWSA-N 375.381 0.086 0 40 GCAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(OCC(N)=O)c1 9421684 FOIHSPOWZVPIME-UHFFFAOYSA-N 396.407 0.157 0 40 GCAB COc1ccccc1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12982191 ZWJWOMDISRMLRF-CYBMUJFWSA-N 379.438 0.477 0 40 GCAB O=C(O)[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@@H]1O 15020145 LFADEVMFJZDHBQ-BYNIDDHOSA-N 388.170 0.201 0 40 GCAB in-vitro NC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 22423786 CMLLRMOWVWASAV-UHFFFAOYSA-N 377.426 0.732 0 40 GCAB CCOC(=O)c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1 60925274 YQSDFXQGDNAADK-UHFFFAOYSA-N 376.456 0.177 0 40 GCAB O=C(CN1CCCC1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72380554 IMVJTFDCIPBFFQ-OAHLLOKOSA-N 375.473 0.684 0 40 GCAB COC(=O)[C@H](O)CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 95452537 OTVXHCMJEJDTSA-MRVPVSSYSA-N 396.215 0.033 0 40 GCAB Cc1nc(CN2CCN(Cc3nnc4n(C)c(=O)c5ccccc5n34)CC2)no1 95959681 ZHACOMKBDMSVIU-UHFFFAOYSA-N 394.439 0.590 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96263083 DHGKBSOMKLOMPZ-AWEZNQCLSA-N 384.502 0.695 0 40 GCAB CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCOCC1 225401305 JSCSJBSCJXELTF-ZWKOTPCHSA-N 380.533 0.594 0 40 GCAB biogenic,in-vitro Cn1cc(CN2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)cn1 306131530 KHZORKBLXLQVRV-NRFANRHFSA-N 392.463 0.635 0 40 GCAB CCC(CC)(NC(=O)C1CN(C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1)C(N)=O 553332852 UBVYAUWNDQDMHY-HNNXBMFYSA-N 394.516 0.642 0 40 GCAB CC(=O)OC[C@]1(CC(=O)N2CCOCC2)CCCN1C(=O)Cc1nonc1C 643586900 JRQZONUBFUWQFH-GOSISDBHSA-N 394.428 0.094 0 40 GCAB CC(C)CN1C(=O)C(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 5216584 WUDLOQLEZAJIPM-LBPRGKRZSA-N 375.381 0.389 0 40 GCAB CCNC(=O)CNC(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2 7187915 IPVUYYGFYXRJEP-UHFFFAOYSA-N 381.454 0.994 0 40 GCAB CCN1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 7960818 FYZULUYKDIKNIV-INIZCTEOSA-N 396.513 0.866 0 40 GCAB Cc1cc(NC(=O)[C@@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)no1 16761186 DQPQEWMTHAEEDA-CQSZACIVSA-N 394.391 0.958 0 40 GCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O 19526955 CEONYOGCFGHFNX-HOTGVXAUSA-N 399.495 0.956 0 40 GCAB O=C1CC[C@@H](CCC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)N1 19748689 SZPJRNZMPITMFL-KRWDZBQOSA-N 384.480 0.852 0 40 GCAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 24805101 GUWFHDNFKGHFJU-AWEZNQCLSA-N 378.454 0.723 0 40 GCAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1 32854679 OPTUICPLIOARDV-UHFFFAOYSA-N 378.454 0.538 0 40 GCAB O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32873610 QXHXRGKDRGHBCR-GFCCVEGCSA-N 383.408 0.665 0 40 GCAB C[C@@H](CCc1ccco1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 47742245 PSBCFQKQLMMGAD-QWHCGFSZSA-N 381.454 0.882 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 96269092 MGFGWJPYAZZIGU-OAHLLOKOSA-N 395.481 0.985 0 40 GCAB biogenic,in-vitro Cc1ccc(Cl)c(OCC(=O)N(C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1 257205360 AYRCTVZOPFXDLO-SPYBWZPUSA-N 395.887 0.809 0 40 GCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C(=O)c1ccccc1)C2 514290229 VHVNNTFPHTUSFU-RBUKOAKNSA-N 392.459 0.867 0 40 GCAB biogenic,in-vitro CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C)cc1C 575422366 BMSGCPKUIAWKLL-CHWSQXEVSA-N 390.483 0.493 0 40 GCAB COC(=O)c1ccc(CN(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 12938323 LTQMRSISSLSKPC-UHFFFAOYSA-N 389.433 0.929 0 40 GCAB C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CCN2C1=O 14751368 KGRBTTAXCSWJPJ-WQHBLYJGSA-N 386.235 0.526 0 40 GCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 17914741 ICDVBKOSTSOXRO-UHFFFAOYSA-N 389.366 0.899 0 40 GCAB CCOC(=O)[C@](NC(=O)c1cccnc1)(NN1CCN(C)CC1)C(F)(F)F 19168535 RUDZIAODFBZILM-HNNXBMFYSA-N 389.378 0.385 0 40 GCAB CN(C)CCN(C)[C@@H]1[C@@H](O)[C@H](NCc2cnc3ccccc3c2)[C@H]2CO[C@@H]1O2 22920774 UIXWIIMZDPANES-SSSFQFABSA-N 386.496 0.671 0 40 GCAB biogenic,in-vitro CC(=O)Nc1cccc(-n2nnnc2SCc2nc(N)nc(N(C)C)n2)c1 23073340 VVBDBYGGWGVJOK-UHFFFAOYSA-N 386.445 0.746 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)o1 32924881 JAKMVMPDIOJDGD-UHFFFAOYSA-N 399.375 0.803 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCN(C)CC2)cc1 72328163 HVZZOPONWOYIEI-UHFFFAOYSA-N 382.530 0.369 0 40 GCAB CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 257202145 AKROBYLUKUOLEC-FQEVSTJZSA-N 391.516 0.477 0 40 GCAB O=C(CCn1ccc(O)nc1=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575606459 WBDHDMSQVBHQLH-UHFFFAOYSA-N 398.345 0.497 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCN(c2nccn3cnnc23)C1 575617753 WNGJSTYWEONSFH-ZDUSSCGKSA-N 390.407 0.229 0 40 GCAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 649254474 NAFSBFQNSYDCAQ-TZMCWYRMSA-N 399.473 0.344 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NC[C@@]1(OCCO)CCSC1 1565520355 OBZRQOJVXITIRV-ZDUSSCGKSA-N 381.497 0.698 0 40 GCAB COCCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)[C@@H]2CCOC2)C1 1565555644 FHWLQWIVTKOSJB-KUHUBIRLSA-N 391.472 0.246 0 40 GCAB CCn1cc(S(=O)(=O)N2CCN(c3ccnc(OC)c3)C(=O)C2)nc1C 1889186719 OMNVCADVXKQVPH-UHFFFAOYSA-N 379.442 0.653 0 40 GCAB CCCNC(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 5280287 HJZWIDOTZNYGNG-UHFFFAOYSA-N 383.451 0.981 0 40 GCAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1n[nH]c(=O)c2ccccc12 8939964 KZASDZTYLXOPRD-UHFFFAOYSA-N 399.384 0.925 0 40 GCAB Cc1cc(NC(=O)C(=O)NCc2ccco2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039893 BHRLUEPFTPBWTD-UHFFFAOYSA-N 382.380 0.601 0 40 GCAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1 10157545 QAHLLXMHQUEZSI-CVEARBPZSA-N 394.435 0.615 0 40 GCAB Cn1c(=O)c2c(ncn2C[C@H](O)CO[C@H]2CCCc3ccccc32)n(C)c1=O 12580410 CVXKXDSVUNURPG-HOCLYGCPSA-N 384.436 0.889 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ncc(Br)s2)n(C)c1=O 20102610 ZIYJCEMKJSMATK-UHFFFAOYSA-N 399.230 0.291 0 40 GCAB CN(CC(=O)Nc1cccc(NS(C)(=O)=O)c1)C(=O)c1ccc(=O)[nH]c1 44459188 PGBFDZGROXYGKD-UHFFFAOYSA-N 378.410 0.457 0 40 GCAB Cc1cc(=O)oc2cc(NCC(=O)N3CCN(S(C)(=O)=O)CC3)ccc12 57634830 PVALPNIARYFADI-UHFFFAOYSA-N 379.438 0.617 0 40 GCAB Cc1cc(C)n2nc(C(=O)NCc3cccnc3N3CCN(C)CC3)nc2n1 60131190 IYNSPJJFSTYYJY-UHFFFAOYSA-N 380.456 0.818 0 40 GCAB Cc1ccc(C(=O)N(C)Cc2nnnn2C)cc1S(=O)(=O)N1CCCCC1 84189974 CZSNNIQOQZBPDD-UHFFFAOYSA-N 392.485 0.965 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccsc2)c2ccco2)C1=O 240122689 WHEIKRRAGFOUJQ-OAHLLOKOSA-N 399.450 0.984 0 40 GCAB CC(C)C(=O)Nc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccn1 558858580 CLEYQUKLTXIIMT-OAHLLOKOSA-N 394.497 0.621 0 40 GCAB O=C(NC[C@]1(O)CN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1cscn1 585270005 AXYGPMNZKBKMMP-AEFFLSMTSA-N 395.456 0.829 0 40 GCAB NS(=O)(=O)Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 669658472 ONXYUNVSCQFEIR-MRXNPFEDSA-N 389.481 0.948 0 40 GCAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NS(=O)(=O)c2ccsc2)nn1 1549160821 HUHYHAKOXOIMCS-OUCADQQQSA-N 386.499 0.744 0 40 GCAB CCn1cc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)cn1 1565541717 ORYFLHHLYIOGIE-WMZOPIPTSA-N 375.429 0.567 0 40 GCAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966456 FQJCNASGCLDPOL-NSHDSACASA-N 388.355 0.987 0 40 GCAB O=S1(=O)N=C(N2C[C@@H]3CN(S(=O)(=O)C4CC4)C[C@H]3C2)c2ccccc21 1888888482 YBLPTNYDZHIODF-VXGBXAGGSA-N 381.479 0.491 0 40 GCAB NC(=O)c1nn(CC(=O)NC[C@H]2COc3ccccc3O2)c(=O)c2ccccc12 7989162 GTCAELJSHNXEJU-LBPRGKRZSA-N 394.387 0.452 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCCCSc1ccccc1)c(=O)n2C 8424770 FCZGJQVYBMZJQY-UHFFFAOYSA-N 387.465 0.732 0 40 GCAB C[C@H](NC(=O)c1cncnc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366241 QYELAXANJUJXKY-WMLDXEAASA-N 383.452 0.946 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(OC(F)F)cc2)n(C)c1=O 12532344 SVEKKOWHBDCBOD-UHFFFAOYSA-N 379.323 0.674 0 40 GCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCC1=O 12747360 JZBFNNCLNORVPI-UHFFFAOYSA-N 398.872 0.781 0 40 GCAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15331660 ONKJVVYLXQNFSO-UHFFFAOYSA-N 397.453 0.312 0 40 GCAB CC(=O)N[C@@H]1CNC2(CCN(S(=O)(=O)c3cn(C(C)C)nc3C)CC2)C1 19704222 OPPGLNQHHKPBTP-HNNXBMFYSA-N 383.518 0.794 0 40 GCAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCN1CCOCC1 19930760 NXZIEWMWGWAQHW-UHFFFAOYSA-N 381.498 0.508 0 40 GCAB COCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 32937296 ADNNRGMOXHLXPM-UHFFFAOYSA-N 385.442 0.227 0 40 GCAB COCCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 35354966 TUKLLQIGSQARBP-UHFFFAOYSA-N 381.498 0.244 0 40 GCAB CC(C)[C@@H]1NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O 40067383 PXXLREINXJQNCR-WMZOPIPTSA-N 388.468 0.580 0 40 GCAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)Nc2ccon2)CC1 43942155 NGDPREUYEWPLQE-UHFFFAOYSA-N 378.414 0.442 0 40 GCAB NC(=O)CSc1cnn(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1Cl 49401027 PIZJCQIMYNHKSP-UHFFFAOYSA-N 396.812 0.842 0 40 GCAB COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C43)[C@@H]2C1=O 222226191 FPRPJYTYDKSJPK-PLBKAQIJSA-N 378.431 0.718 0 40 GCAB CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NCc3nccs3)[C@H](O)[C@@H]2O)cc1 225502836 RWJUNVMMKBMPCH-PREXVCJDSA-N 398.506 0.826 0 40 GCAB biogenic,in-vitro Cc1noc(-c2cn(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)nn2)n1 225583533 NFEVKKGOOJGSPE-LBPRGKRZSA-N 399.386 0.945 0 40 GCAB CNC(=O)[C@@H]1COC2(CN1CC1CC1)CN(S(=O)(=O)c1ccccc1)C2 247978502 WTPLFZQJXQHJTM-INIZCTEOSA-N 379.482 0.287 0 40 GCAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc2ccccc2n(C)c1=O 661224340 MWCKNSWMVBHKHN-HIFRSBDPSA-N 379.438 0.150 0 40 GCAB COc1ccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCSC2)cc1OC 1565519710 MLZFXGIHSYTSLA-KRWDZBQOSA-N 384.454 0.643 0 40 GCAB Cn1ccnc1CN1CCC2(CC1)CC(NC(=O)[C@@H]1CCCS1(=O)=O)C2 1565541660 LOYWXSUGCJVUQK-HNNXBMFYSA-N 380.514 0.858 0 40 GCAB O=S(=O)(c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1)N1CCNCC1 1776010798 LYFSLTKFKLLGAO-UHFFFAOYSA-N 376.353 0.713 0 40 GCAB COC(=O)[C@@H](NC(=O)[C@@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 1590918 BMAULSIJZXQEMX-CVEARBPZSA-N 382.372 0.674 0 40 GCAB C[C@H](Cc1ccccc1)N(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C 5115943 PDTADBTVZXKSJM-CQSZACIVSA-N 384.484 0.946 0 40 GCAB biogenic,in-vitro Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3CCCO)n(C)c1=O 5148217 NPNFCAHPMLRAEC-UHFFFAOYSA-N 386.387 0.180 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccco2)cc1 6053385 RATBLHWSXABNLK-VMPITWQZSA-N 378.406 0.842 0 40 GCAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 6085359 YRQFWBVNKKHJPH-UHFFFAOYSA-N 391.405 0.565 0 40 GCAB CCCn1c(S[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n[nH]c1=O 7365001 MMSQPEKPBWFWKD-GHMZBOCLSA-N 376.504 0.498 0 40 GCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)NCc1ccc2c(c1)OCO2 9827361 PLVHOPRYJLFAMC-UHFFFAOYSA-N 392.437 0.259 0 40 GCAB CN(C)[C@@H](CNC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 12203802 VUCZSENWCLPPGI-KGLIPLIRSA-N 381.454 0.334 0 40 GCAB Cn1c(=O)c2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cnc2n(C)c1=O 12817112 BQAQETXKRUSPDV-MRXNPFEDSA-N 393.447 0.637 0 40 GCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 12889318 KWNKSPZXKFXGEM-VIFPVBQESA-N 380.875 0.507 0 40 GCAB O=c1[nH]c(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2cc(Cl)ccc12 23479598 CKYWMDTYMCXQJL-CYBMUJFWSA-N 396.900 0.881 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 24840372 JIBQCAFLNNMGDC-QEJZJMRPSA-N 397.497 0.256 0 40 GCAB C[C@@H]1OC(=O)O[C@@H]1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 26892069 MVHHCXACTDXCAC-JNCZRXCNSA-N 399.421 0.756 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4Cl)ncnc32)[C@@H](O)[C@H]1O 27411672 AIFYZXYYAFRRQV-MJFSBKNWSA-N 391.815 0.703 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)CN3CCCC3=O)CC2)cc1 32904657 XQULPUSMCMHKTC-UHFFFAOYSA-N 395.481 0.587 0 40 GCAB CCCn1c(N)c(C(=O)CN2CCN(c3ccc(O)cc3)CC2)c(=O)[nH]c1=O 34886361 UMQGWCUFJTYBOT-UHFFFAOYSA-N 387.440 0.239 0 40 GCAB O=C(CCc1ccc2c(c1)OCO2)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 40094533 IIYAHIBFMWAYGP-ZDUSSCGKSA-N 382.438 0.158 0 40 GCAB COCCO[C@H](C)C(=O)NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 72310710 VDTCQHWZZSBUJJ-LLVKDONJSA-N 397.446 0.097 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1 253473895 ZMYAKFLOEHMKOP-UHFFFAOYSA-N 389.437 0.957 0 40 GCAB Cc1c(C)[n+]([O-])c([C@H](CC(C)C)C2C(=O)NC(=O)NC2=O)n1CCN(C)C 524732361 UDYVHYTUMBCLHV-CYBMUJFWSA-N 379.461 0.412 0 40 GCAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(CC)cc1 575420754 KGUMGWILDTYOFA-KGLIPLIRSA-N 390.483 0.439 0 40 GCAB COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1ccc(Br)cc1=O 1556083520 DLKMNJVPDUDNCN-NSHDSACASA-N 383.202 0.234 0 40 GCAB COCCN1C(=O)[C@H]2CN(C(=O)c3cc(C)on3)CCN2C12CCOCC2 1772595458 YUTUXIZFVLIEHN-OAHLLOKOSA-N 378.429 0.105 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 1365174 PIHSVCAAZRLWFX-CQSZACIVSA-N 390.483 0.955 0 40 GCAB O=C(O)[C@H](Cc1ccccc1N(CCO)CCO)N1C(=O)c2ccccc2C1=O 2036642 SIXZCGGIWOIEJY-SFHVURJKSA-N 398.415 0.770 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 2218582 DKAJOSVQGCTIQN-INIZCTEOSA-N 391.449 0.872 0 40 GCAB COc1ccc(C(=O)Nc2c(N)nc(SCC(N)=O)[nH]c2=O)cc1OC 2712594 SAXZLHDLXKBPAH-UHFFFAOYSA-N 379.398 0.199 0 40 GCAB CCCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 4569393 LEEAETLAIPCGLR-ZDUSSCGKSA-N 383.470 0.491 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 4583698 DVKQCCKBWVJXPE-UHFFFAOYSA-N 383.376 0.910 0 40 GCAB COCCNC(=O)CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 4861410 WKZVUIHKMHHLAZ-CQSZACIVSA-N 396.444 0.472 0 40 GCAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 5981402 UHCXJZHVHHJHBA-NSHDSACASA-N 386.426 0.268 0 40 GCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)NCCc1ccccc1 8848717 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CNC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)c1cccnc1)CC2 96260316 DDOYUKVPLZVEDO-UHFFFAOYSA-N 389.481 0.692 0 40 GCAB COCCN1C[C@H]2CCN(C(=O)COc3ccccc3)CC[C@H]2S1(=O)=O 96263792 XDDPNRASODMBOD-NVXWUHKLSA-N 382.482 0.964 0 40 GCAB O=C(Cn1ncccc1=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008002 RECFEGRWMSPQLC-UHFFFAOYSA-N 381.314 0.533 0 40 GCAB c1cc2c(N3CCN(c4ccnc(N5CCOCC5)n4)CC3)ncnc2cn1 1889191895 SZTLPMNZKRECKO-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB CS(=O)(=O)CCC(=O)N1C[C@@H](C(=O)NCc2cccnc2)C[C@H]2OCC[C@H]21 2055747082 FAHNLQRCCZRIPO-ARFHVFGLSA-N 395.481 0.139 0 40 GCAB CN(C)c1cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)ncn1 2086889371 PHSQHBXFTVJTGC-UHFFFAOYSA-N 380.452 0.961 0 40 GCAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242932 BYWHWMQUPPWRAU-INIZCTEOSA-N 382.457 0.930 0 40 GCAB CCC[C@H](C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495246 SYZQBECZCOMVER-LBPRGKRZSA-N 381.454 0.963 0 40 GCAB COCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 4553919 KGRFXZSEKMHAFM-OAHLLOKOSA-N 397.497 0.499 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biogenic,in-vitro CC[C@H](NC(=O)CN1C(=O)N[C@H]2[C@H]1N(C)C(=O)N2C)c1ccc(OC)cc1 253372173 DOTZIJGHDXNKEW-IMJJTQAJSA-N 375.429 0.937 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1)NC1CC1 604381895 UDJBTIVZTMGHJE-SZVRAQGESA-N 376.413 0.158 0 40 GCAB biogenic,in-vitro CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)CC1 655100865 OILQKSBMWBAECQ-NDBYEHHHSA-N 399.435 0.729 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 1565546379 ZOVHXBMURXIZKY-UHFFFAOYSA-N 379.482 1.000 0 40 GCAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243186 QAHKMUUFZPDTJZ-HNNXBMFYSA-N 397.403 0.870 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 1034782 KZPCIJWSIRLDKV-UHFFFAOYSA-N 386.451 0.830 0 40 GCAB CCCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(C)cc1 4357207 ZXMMMUVWOOQIAQ-INIZCTEOSA-N 397.497 0.765 0 40 GCAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 5005540 ORBAJRTZBJRABW-NSHDSACASA-N 384.483 0.855 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3ncccn3)CC2)cc1 13682499 FMSVDXUNGVKPRJ-UHFFFAOYSA-N 389.481 0.699 0 40 GCAB COc1ccccc1-n1nnnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 16222949 DIJJRSGPHHKREF-LLVKDONJSA-N 397.482 0.409 0 40 GCAB CCCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614000 AIDSNJKEDJPCGJ-OAHLLOKOSA-N 377.441 0.821 0 40 GCAB CCCCN(C(=O)CN1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21822490 RUUGUIHQIOFIFU-UHFFFAOYSA-N 381.477 0.240 0 40 GCAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1 21897085 KPBMCVQUYMCHMN-UHFFFAOYSA-N 389.481 0.666 0 40 GCAB CC[C@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 23055138 YRQLDTJACLECGK-HNNXBMFYSA-N 396.513 0.797 0 40 GCAB CN(CC(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ncccn1 23173588 RALSWTHALIZSPC-UHFFFAOYSA-N 394.453 0.785 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(N2CCCC2=O)cc1 25025581 UFOFIRNXQNYVCU-OAHLLOKOSA-N 389.408 0.082 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)no1 29599885 VOXPFVLMCVCBQE-CYBMUJFWSA-N 375.429 0.077 0 40 GCAB 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COCCNC(=O)[C@H]1C[C@@H](c2ccc(OC)c(OC)c2)NS(=O)(=O)N1C 12129913 BWQODTGBLNGRJE-QWHCGFSZSA-N 387.458 0.046 0 40 GCAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N[C@H]1CCS(=O)(=O)C1 14251335 LFQOSABUDPRQHM-KOLCDFICSA-N 398.462 0.579 0 40 GCAB O=C(Cn1cccn1)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 19749505 XAXDEMCJOIEZFP-QGZVFWFLSA-N 390.465 0.708 0 40 GCAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCN(CCO)CC1 22732830 MPMKBKWEHHMQIL-UHFFFAOYSA-N 386.452 0.832 0 40 GCAB C[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 30586010 FQZIUBHFTSLRML-GFCCVEGCSA-N 383.445 0.573 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)CC(=O)NC(C)(C)C 32879682 BZKJTNOQKDEKRF-UHFFFAOYSA-N 393.488 0.221 0 40 GCAB Cn1nc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)ccc1=O 225741873 KDEQLKRCFIKJTA-UHFFFAOYSA-N 393.451 0.664 0 40 GCAB Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257342354 ZOGLCPNTDOOSAU-MBOZVWFJSA-N 385.468 0.127 0 40 GCAB COc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1C(N)=O 390831453 RXNSTVZKTWKSIV-UHFFFAOYSA-N 398.485 0.466 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@H](OCCO)c2ccsc2)C1=O 575620082 IJAUTFJLUVXILC-NSHDSACASA-N 377.444 0.205 0 40 GCAB COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 3370607 HDVJOFJIUIWDIR-UHFFFAOYSA-N 398.437 0.152 0 40 GCAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2cccnc2)cc1 4271451 VUSJONSDMQYCLT-KRWDZBQOSA-N 398.419 0.321 0 40 GCAB C=CC(=O)OCCSc1nc(N2CCOCC2)nc(N2CCOCC2)n1 4744221 NJNBENYFTBRJEL-UHFFFAOYSA-N 381.458 0.366 0 40 GCAB CC[C@H](C)NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11904212 JFOXDKFFRYZHEX-JTQLQIEISA-N 376.456 0.839 0 40 GCAB O=C1NCC2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc21 12225492 MRJCXMDAUSESHL-ZDUSSCGKSA-N 378.450 0.605 0 40 GCAB C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1F 12559578 RVIJROLGPLPZKC-SECBINFHSA-N 377.351 0.589 0 40 GCAB Cc1c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN3CCCC3)CC2)cnn1C 19661061 VVLDLOONZILRSQ-AWEZNQCLSA-N 397.545 0.730 0 40 GCAB COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccccn3)CC2=O)cc1 20733727 NZVAVROVKAZHDB-CQSZACIVSA-N 382.420 0.989 0 40 GCAB COc1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 23058167 UGVGVQGHEWYLTL-HUUCEWRRSA-N 397.497 0.807 0 40 GCAB CCCn1c(N)c(C(=O)CSc2nc3sccc3c(=O)[nH]2)c(=O)[nH]c1=O 26116349 PPEYJWMBFYBGCG-UHFFFAOYSA-N 393.450 0.802 0 40 GCAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 29883607 PGTMONHGFXJNFO-GUYCJALGSA-N 391.472 0.979 0 40 GCAB O=C(c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)N1CCCCC1 33330698 XFFFHXWPKLEYQK-UHFFFAOYSA-N 378.410 0.490 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(=O)NC)c2c1 36728366 RKVQUIZOQWPHOC-UHFFFAOYSA-N 394.453 0.034 0 40 GCAB CCCCNC(=O)NC(=O)CN1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 40105829 FHZOILMIADMMNI-GASCZTMLSA-N 382.505 0.960 0 40 GCAB C[C@@H](CNC(=O)N1CCN(CC(N)=O)CC1)N1CCN(c2ccccc2)CC1 45313888 MQGGWXJPTBPILO-KRWDZBQOSA-N 388.516 0.010 0 40 GCAB Cn1nc(C(=O)N2CCC[C@H](Cn3cc(-c4cccnc4)nn3)C2)ccc1=O 48435963 KXCHFPWPUXMPQX-AWEZNQCLSA-N 379.424 0.986 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 50858696 GLGNFCJLZGRZQO-CABCVRRESA-N 387.461 0.802 0 40 GCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 55248777 RZQCJZWVRRVYLB-DZGCQCFKSA-N 399.538 0.822 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC[C@@H](C(=O)OCC)C1)n2C 58020004 FNXCILRPJWZPKZ-CYBMUJFWSA-N 391.472 0.999 0 40 GCAB C[C@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@H](c3ccccc3O1)[C@@H]2C(N)=O 71785116 BWUUVSVHEFXEOT-MYQGBCMISA-N 381.413 0.764 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2ccccc2)N(C)S(=O)(=O)N1 72335170 WDIPPJXISUZUJZ-CVEARBPZSA-N 377.470 0.625 0 40 GCAB CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1 79108636 ANMLMFXWEZAIHA-SJORKVTESA-N 383.514 0.674 0 40 GCAB C[C@@H]1CN(S(=O)(=O)NCCNc2nnnn2-c2ccccc2)C[C@@H](C)O1 84706446 BKSBNTABHBRYPV-CHWSQXEVSA-N 381.462 0.018 0 40 GCAB Cn1ccc(C(=O)N2CC[C@@]3(CCn4ncnc4[C@H]3NC(=O)C3CCC3)C2)n1 306136985 QIGGPULQUNOJSM-DNVCBOLYSA-N 383.456 0.905 0 40 GCAB CCc1nnc(SCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)n1N 409001381 IBTSCCLPCBWGMQ-LBPRGKRZSA-N 379.442 0.253 0 40 GCAB CCOC(=O)c1cc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)c(F)cc1C 560203202 HGQRYRTWOMLPJF-SFHVURJKSA-N 383.420 0.678 0 40 GCAB CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)N1CCCC1 585593816 LHWDHZRVECKMBH-UHFFFAOYSA-N 391.501 0.853 0 40 GCAB C[C@H](C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)n1cnc2c(N)ncnc21 613672844 GDPFTLOOEDPYOL-LLVKDONJSA-N 381.444 0.919 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccn2)C(=O)C1 1259009646 BNNIBXSUHODMQT-UHFFFAOYSA-N 381.435 0.967 0 40 GCAB CCn1cc(CC(=O)N[C@@]23CCC[C@H]2N(c2nc(C)nc(N(C)C)n2)CC3)nn1 1615612411 YDLMOOQPBZZAFM-DNVCBOLYSA-N 399.503 0.718 0 40 GCAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)nn1 1888897719 QXGPKYFNDPAJSZ-OKILXGFUSA-N 394.439 0.830 0 40 GCAB CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cccs3)CCO2)C1 2055814187 HNOWVYIVWIWOQB-DWTRPJMMSA-N 386.495 0.651 0 40 GCAB CNC(=O)NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3516838 GUXHXCULOURZTM-UHFFFAOYSA-N 380.360 0.998 0 40 GCAB C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 3874844 RIRGCFBBHQEQQH-MFVMWPSOSA-N 385.424 0.481 0 40 GCAB CCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(OC)cc1 4357219 NFEWDQCVQZRWLH-HNNXBMFYSA-N 399.469 0.075 0 40 GCAB CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cc(C)ccc1C 4357619 OCBCJKAVTWIPLR-OAHLLOKOSA-N 383.470 0.293 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccccc2OC)n(C)c1=O 5083297 NIMRGQAMZJGPLE-UHFFFAOYSA-N 399.407 0.620 0 40 GCAB COCCCn1c(C)cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 6033857 QZWJYKFROKPSGJ-UHFFFAOYSA-N 387.440 0.771 0 40 GCAB Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1 9631874 IAXOSTSEQDRJHR-UHFFFAOYSA-N 382.471 0.902 0 40 GCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCC1=O 12761663 YFHDVRQVFFUNIE-UHFFFAOYSA-N 398.872 0.781 0 40 GCAB COC(=O)C1(C(=O)OC)O[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 17142621 BABFQGSVMPHVNB-RWMBFGLXSA-N 377.349 0.082 0 40 GCAB CC(C)CNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228095 CPMWUIGSOJCJKJ-UHFFFAOYSA-N 381.498 0.902 0 40 GCAB CCNC(=O)CN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 23148562 QMLQWXVKSSYNGF-UHFFFAOYSA-N 382.891 0.890 0 40 GCAB CN(C)S(=O)(=O)c1cccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 25685848 UHKMJCAZUBKOSS-QGZVFWFLSA-N 381.498 0.760 0 40 GCAB CNC(=O)Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 29359643 NRXVRNKTQSOMQN-UHFFFAOYSA-N 395.213 0.226 0 40 GCAB CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 35311870 YGZFRNXFOLNMGD-UHFFFAOYSA-N 387.527 0.797 0 40 GCAB C[C@H]1COC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41314925 UGDWHIPIFNCPHB-GJZGRUSLSA-N 381.498 0.872 0 40 GCAB CS(=O)(=O)NCC1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 42381335 LLCYYYFMJNMMKX-UHFFFAOYSA-N 381.502 0.481 0 40 GCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 248072512 BDBXNLCWFMWVQL-IRXDYDNUSA-N 395.525 0.457 0 40 GCAB CCS(=O)(=O)CCN1Cc2cncn2[C@H](C(=O)NCc2cccnc2)C1 253488265 ACOAVYFXPJWBSD-INIZCTEOSA-N 377.470 0.386 0 40 GCAB Cn1c(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)cc(=O)n(C)c1=O 257343243 ZSCAKPCMXVRAQP-HXUWFJFHSA-N 387.436 0.520 0 40 GCAB CCN(CC)[C@@H]1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 641839865 LPBCYDKELYTYDU-RBUKOAKNSA-N 381.565 0.909 0 40 GCAB CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)O)ccc12 2140328 AIBHTRVWMBKMAG-UHFFFAOYSA-N 376.365 0.441 0 40 GCAB biogenic O=C(O)[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)cc23)[C@@H](O)[C@H](O)[C@H]1O 2558722 LFADEVMFJZDHBQ-DIACKHNESA-N 388.170 0.201 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cc(Cl)nc(Cl)c2)c(=O)n(C)c1=O 3245203 CWGDCXXTJUZVRF-UHFFFAOYSA-N 387.179 0.408 0 40 GCAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3309094 GOANSFXZNWCGIU-IUODEOHRSA-N 382.438 0.845 0 40 GCAB O=c1n(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(=O)n2n1CCC2 4686517 BRMVTYZMFDKIAH-UHFFFAOYSA-N 386.433 0.683 0 40 GCAB COc1ccc(C(=O)NC(=S)NC[C@H](O)COC[C@@H]2COC(C)(C)O2)cc1 4791166 HYBWPICGMPEYOI-DZGCQCFKSA-N 398.481 0.829 0 40 GCAB CC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 5044040 QEFLAMIZQMCTDI-AWEZNQCLSA-N 379.438 0.220 0 40 GCAB COCCCNC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030088 RPCMEUYZIWPFGB-CQSZACIVSA-N 375.468 0.414 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNC(=O)[C@H]3C)C2)cc1 13595618 CRGVOQGMPAWRKI-HUUCEWRRSA-N 379.482 0.743 0 40 GCAB CCOC(=O)[C@](NC(=O)c1ccco1)(NN1CCN(C)CC1)C(F)(F)F 19168529 VVHXASPKFUVYIL-AWEZNQCLSA-N 378.351 0.583 0 40 GCAB CNC(=O)NC(=O)CN1CCN([C@H](C(=O)OC)c2ccccc2Cl)CC1 22931555 SDZWAIRAYHNUTI-HNNXBMFYSA-N 382.848 0.627 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)CC1 30698271 SCLMIQGOHWIERQ-UHFFFAOYSA-N 392.525 0.425 0 40 GCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cn1 72400408 BKUNHQZTWVSHRF-UHFFFAOYSA-N 375.820 0.995 0 40 GCAB COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCC(O)CC1 227150895 LNXDJKRPQCDWHW-UHFFFAOYSA-N 384.454 0.313 0 40 GCAB C[C@@H](C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)n1ccc(C(F)(F)F)n1 633552904 HNWVNUUQHHANFW-GXFFZTMASA-N 381.376 0.879 0 40 GCAB Cn1cc(CN(C(=O)c2ccc3c(c2)CCN3)[C@H]2CCNC2)c(=O)n(C)c1=O 681940857 VXXFWSOIPJRXRG-INIZCTEOSA-N 383.452 0.056 0 40 GCAB Cc1cc(N(C)C)nc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)n1 1889115678 CGFSUGFNGWZBDF-UHFFFAOYSA-N 376.486 0.976 0 40 GCAB Cc1c(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)nc2ccccn12 2055716027 RKQJXPSHPPOCGH-SOUVJXGZSA-N 392.481 0.669 0 40 GCAB C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4762067 UYCSCAFSVRPVEP-FHLIZLRMSA-N 399.447 0.875 0 40 GCAB C[C@H](OC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(=O)NC(N)=O 5806179 ROZHQWVBNYIAFL-NSHDSACASA-N 383.426 0.601 0 40 GCAB Cc1ccc(C[n+]2c(SCC(=O)O)[nH]c3c2c(=O)n(C)c(=O)n3C)cc1 6199351 HINFPZMLNCBXAT-UHFFFAOYSA-O 375.430 0.386 0 40 GCAB Cc1cccc(OCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 9156609 NNTIIPBWCCTXTN-UHFFFAOYSA-N 399.451 0.718 0 40 GCAB CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@@H](C)O)c2cc(Br)ccc21 9184101 IMKPOKLMVZNCMW-PRHODGIISA-N 384.230 0.470 0 40 GCAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 12200760 VFFATYNFJMQHEJ-UHFFFAOYSA-N 395.437 0.235 0 40 GCAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)c2ccccc2O1 14247152 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257292133 QKDFQHRGDIWABN-NRFANRHFSA-N 394.560 0.816 0 40 GCAB CN1CCN([C@H]2CC[C@](CNC(=O)CCN)(c3ccccc3)CC[C@@H]2O)CC1 257298166 RKLIRURIDGODBD-ONTIZHBOSA-N 388.556 0.940 0 40 GCAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 851189 MPWLVKLYSAQSJO-STQMWFEESA-N 380.422 0.965 0 40 GCAB CC(=O)N1CCN(C(=O)C2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)CC1 3258422 NFJUNUFEQFHINE-UHFFFAOYSA-N 392.500 0.174 0 40 GCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O 4479275 QWVIFTHYKHHKOQ-UHFFFAOYSA-N 383.408 0.878 0 40 GCAB CC(=O)NCCOC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7982421 RDKSONCZLDKHIX-CYBMUJFWSA-N 379.438 0.527 0 40 GCAB Cc1ccc(OC[C@@H](O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)cc1 12232428 CSKIRMNFSLCSAV-NSHDSACASA-N 376.438 0.471 0 40 GCAB CS(=O)(=O)c1ccc(NCCCN2CCOCC2)c(S(C)(=O)=O)c1 12514640 JELAHTWJMVXGPD-UHFFFAOYSA-N 376.500 0.628 0 40 GCAB CN(C)S(=O)(=O)c1ccc(OCCn2nnn(-c3ccccc3)c2=O)cc1 12921052 YMFGUIMFHRFMAU-UHFFFAOYSA-N 389.437 0.758 0 40 GCAB C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13757145 IWXAUCXPAWABQM-NSHDSACASA-N 375.404 0.804 0 40 GCAB CCC(=O)N1CCN(S(=O)(=O)c2sc(C(=O)O)c(C)c2C(=O)O)CC1 14118739 MXPCBPLKKBXDEW-UHFFFAOYSA-N 390.439 0.696 0 40 GCAB CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 24688741 SGPCIFYUIACVNP-UHFFFAOYSA-N 383.470 0.242 0 40 GCAB O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 32059813 QQHQRVHSVBMZAU-UHFFFAOYSA-N 381.498 0.970 0 40 GCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2ccccc2OC(F)F)c1=O 32682500 GYYVIQXJXHIJTQ-UHFFFAOYSA-N 383.355 0.435 0 40 GCAB CCN1CCN(C(=O)C2=CC(c3cn(CC)nc3C)=NS(=O)(=O)N2C)CC1 72337579 DAXBMQQDMKWRDO-UHFFFAOYSA-N 394.501 0.239 0 40 GCAB C[C@]1(O)[C@](C)(O)[C@@](C)(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@]1(C)CO 78547106 XOSLXWLHQVUTQP-YMQHIKHWSA-N 394.512 0.165 0 40 GCAB COC(=O)CSc1nc2[nH]c(CSc3nnc(N)s3)cc(=O)n2n1 100071820 XVMHMFWWSAZEKD-UHFFFAOYSA-N 385.456 0.409 0 40 GCAB CC1=NN(Cc2ccccc2Cl)C(=O)[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901812 AUZWIKKLTFHBGY-OCCSQVGLSA-N 383.857 0.978 0 40 GCAB Cn1ccs/c1=N\C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 102386741 IVZXXHZGGPFKBJ-ICFOKQHNSA-N 385.442 0.988 0 40 GCAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)C1 108377868 HJSOHWVFYUOWOJ-ZWNOBZJWSA-N 376.381 0.878 0 40 GCAB Cc1cc(NC(=O)C(=O)NCCN2CCC(O)CC2)ccc1N1CCCC1=O 206609785 NZSDREMHIMIOEX-UHFFFAOYSA-N 388.468 0.633 0 40 GCAB c1ccn(-n2c(CCCN3CCOCC3)nnc2CCCN2CCOCC2)c1 225152441 DBADIOUXOSXNRE-UHFFFAOYSA-N 388.516 0.921 0 40 GCAB O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)Cc3ccccc3F)C2)nn1 225633961 UXNGWVFFLULKDS-UHFFFAOYSA-N 393.444 0.926 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(Cc2nc3ccccc3s2)CCO1 263005984 XYVDXUGNLHPIPS-LBPRGKRZSA-N 399.494 0.843 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)NCc2cn(-c3ccncc3)nn2)cc1 390831211 QLSQAPXEJVDACQ-UHFFFAOYSA-N 388.409 0.005 0 40 GCAB NC(=O)c1cn(CC(=O)Nc2cnn(CCN3CCOCC3)c2)c2ccccc12 524257343 PSWOUIDZKNUGGP-UHFFFAOYSA-N 396.451 0.908 0 40 GCAB O=C1CNC(=O)c2ccc(C(=O)Nc3ccn(Cc4ccncc4)n3)cc2N1 555649861 BGOOCMCOJUENTQ-UHFFFAOYSA-N 376.376 1.261 0 40 GCAB O=C(CO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1cccnc1)C2)N1CCCC1 575403064 IHQGORHQNGXOMX-AWEZNQCLSA-N 397.522 0.969 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)C1=O 575414028 LZLPFLFEYVCFHL-OAHLLOKOSA-N 383.382 0.515 0 40 GCAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(C(=O)C4CC(O)C4)C[C@@H]2S3(=O)=O)cn1 585110049 BKHMXIHQQVNVQU-IPAACOPJSA-N 387.461 0.940 0 40 GCAB Cn1ccc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)cc1=O 1888930324 PMAMQOYDFGUPGJ-IYBDPMFKSA-N 398.488 0.898 0 40 GCAB Cc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 5352900 XIOKIMQJEXBRJT-LBPRGKRZSA-N 381.483 0.708 0 40 GCAB COc1cc(/C=c2\[nH]c(=O)/c(=C/c3ccc(O)c(OC)c3)[nH]c2=O)ccc1O 5512681 IXHFRXDLUKWPHG-PVRNWPCDSA-N 382.372 0.149 0 40 GCAB O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc3nncn3n2)CC1 13847735 CQNOYQZDEMBOFQ-UHFFFAOYSA-N 380.380 0.913 0 40 GCAB CC[C@@H](CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@H](CC)CO 13881855 UNJMRZHCCOQXJU-OCAPTIKFSA-N 382.301 0.667 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1Br)c(=O)n2C 16027517 RMFXVESWFKBFIO-UHFFFAOYSA-N 392.213 0.835 0 40 GCAB C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16818714 SSTGIVBESBTRGB-DGCLKSJQSA-N 396.494 0.404 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20565951 IKQZUNAWFMKOIA-BCEDRHLLSA-N 384.436 0.473 0 40 GCAB C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 21064571 UTXQMLADFJQYMN-KBPBESRZSA-N 375.535 0.662 0 40 GCAB COc1ccccc1CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21359087 RIBIWUCNFDAMMQ-CQSZACIVSA-N 393.465 0.519 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(N(C)C)nc1 22421328 LVOHWEQSAUBKBF-UHFFFAOYSA-N 386.456 0.947 0 40 GCAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC(=O)NC2CC2)CC1 22933468 OVRUSAWUMNIMPK-GFCCVEGCSA-N 386.456 0.079 0 40 GCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1C 28209798 LGLMMIMXCGZVFP-UKRRQHHQSA-N 396.465 0.979 0 40 GCAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 32929538 MWEQKDNKVBRGDX-LBPRGKRZSA-N 376.500 0.766 0 40 GCAB O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NC[C@@H]1CCCO1 35375571 WYSVTKAGKGLBMS-SFHVURJKSA-N 397.479 0.865 0 40 GCAB COc1cccc(-c2ccc(=O)n(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)c1 44918655 DWOUGPUFFWPPOP-CQSZACIVSA-N 391.449 0.564 0 40 GCAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)NC[C@@H]3CCCO3)c2=O)CC1 49409194 BTGYOVPXCONBCQ-HNNXBMFYSA-N 397.497 0.564 0 40 GCAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1 67870854 UQYGRQNVOUCIOR-OKZBNKHCSA-N 388.516 0.072 0 40 GCAB biogenic,in-vitro COc1ccc(N2C[C@H](C(=O)N3CCN(C(C)(C)CO)CC3)CC2=O)cc1 95444593 CKOYVZQLVOKVEO-OAHLLOKOSA-N 375.469 0.963 0 40 GCAB CCS(=O)(=O)N(C)CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 225957984 HMWMEJYMSUQPDA-UHFFFAOYSA-N 383.499 0.962 0 40 GCAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(C(=O)C3CC3)C2)cs1 306128487 HBLXGNZUTDFDCA-SFHVURJKSA-N 387.465 0.502 0 40 GCAB O=C(c1ncccn1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549161436 KZUQFDNEBBDPJF-AWEZNQCLSA-N 385.424 0.524 0 40 GCAB COc1ccccc1CNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O 2941602 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378.448 0.631 0 40 GCAB COC(=O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 30691031 UYZUKCVFHKAZRT-HNNXBMFYSA-N 386.426 0.050 0 40 GCAB NC(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 32908378 MEGKGPHOUOCLGP-AWEZNQCLSA-N 392.887 0.754 0 40 GCAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097940 MCKHFMUBLFGEJG-SJKOYZFVSA-N 382.380 0.169 0 40 GCAB CCN(C)C(=O)c1ncn2c1CN(CC(=O)NC)S(=O)(=O)c1ccccc1-2 96147480 XYADOYANJWWIGT-UHFFFAOYSA-N 391.453 0.215 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnccn3)C2)cc1 225797669 OZPZNEDPODBQQE-CYBMUJFWSA-N 378.410 0.183 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@](C)(O)C[C@]12NNC(=S)N2 248011728 JAOODCGAHPLYJW-HKAKVCCISA-N 393.465 0.182 0 40 GCAB CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 253387942 VWVKUNOPTJGDOB-CTWRKMMKSA-N 386.444 0.997 0 40 GCAB COc1cc(Br)cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1[C@@H]2OC 257212322 CCVFFOLNCVJEPH-HTKHVQBFSA-N 391.214 0.593 0 40 GCAB CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)CC1 257252438 JUTSZCNZBKGRSS-OAQYLSRUSA-N 393.528 0.259 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCCn2cnc(C(=O)Nc3cccnc3)c2C1 1565544478 IGFLPVPHAGEOTH-UHFFFAOYSA-N 391.453 0.697 0 40 GCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ncnc(C)c3C)CC[C@@H]21 1565549206 RONOMOQWTZKUKH-IKGGRYGDSA-N 383.456 0.837 0 40 GCAB O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1624448697 RXPXOPMCPGCESY-PBHICJAKSA-N 397.435 0.998 0 40 GCAB Cc1ccc(S(=O)(=O)NCCCC(=O)O)c(C)c1N(C)S(C)(=O)=O 5554013 GISQLCRXXLFPIA-UHFFFAOYSA-N 378.472 0.842 0 40 GCAB COc1ccc(CCNC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OC 6436157 ZCRMGMSQVHWFCM-UHFFFAOYSA-N 377.397 0.562 0 40 GCAB CC(=O)NCc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 6589949 WGZJWBCJXOFRIR-UHFFFAOYSA-N 375.410 0.014 0 40 GCAB CCCOc1ccnc2c1c(=O)n(CC(=O)NC[C@H]1CCCO1)c(=O)n2C 9571984 IYHABXQYHRUZTF-GFCCVEGCSA-N 376.413 0.179 0 40 GCAB CCCOc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 10386407 RJVNNWVAPPCGFS-CYBMUJFWSA-N 388.424 0.960 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCCOC)cc1 22228229 REMZUUWRSCLQPK-UHFFFAOYSA-N 399.513 0.529 0 40 GCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1 29198616 GBNYJAMWLGWJHB-ZDUSSCGKSA-N 379.438 0.643 0 40 GCAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 32924883 XZGUSAMHVMVWOU-UHFFFAOYSA-N 391.449 0.763 0 40 GCAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 72260151 GGQREAFZIMFQDX-UHFFFAOYSA-N 396.451 0.530 0 40 GCAB CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CCCn2ccnn2)cc1 95982955 QKFNWHGTMNVVHQ-UHFFFAOYSA-N 391.413 0.181 0 40 GCAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCN(Cc4ccccn4)CC2)[C@H]3C1=O 248163294 MXVRPLMEAGKROJ-MDPIYQRISA-N 396.491 0.916 0 40 GCAB COc1ncccc1CN1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306135263 OMBBUBWYYWGGGV-CVEARBPZSA-N 383.452 0.838 0 40 GCAB CC(C)CCN1C[C@@H]2Oc3ccccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1 1534613373 SXJOYUZSOBYWKL-JZXOWHBKSA-N 397.541 0.749 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-n3cccn3)cc2)NC(=O)NC1=O 1616035240 UZEPBRSVMCIPJX-GOSISDBHSA-N 379.380 0.071 0 40 GCAB COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1OC 793321 MIUAXFAUBKCGDJ-UHFFFAOYSA-N 399.469 0.194 0 40 GCAB COCCCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 4569542 NVNQUIXJVXOQAD-GFCCVEGCSA-N 389.499 0.170 0 40 GCAB Cc1ccc(C2=NN[C@@H]([C@@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 6204418 MMIZAZUVAUSVMY-ZKXLYKBJSA-N 384.498 0.315 0 40 GCAB Cn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c3c(sc21)CCCC3 6759023 XWSVIKFQYAONSK-NSHDSACASA-N 377.466 0.936 0 40 GCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1=O 8769369 CNITWNXTIWVVEM-UHFFFAOYSA-N 397.453 0.799 0 40 GCAB COCCNC(=O)CNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 9547239 TUYSQWCHTSSMSB-UHFFFAOYSA-N 380.397 0.394 0 40 GCAB COCCCNS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11904853 KQOJVNAQKUECAR-NSHDSACASA-N 376.456 0.314 0 40 GCAB Cc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)n12 12182003 XBEGUIGTXGOZDC-UHFFFAOYSA-N 381.436 0.990 0 40 GCAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 12522960 SURGGQPYHQJXPY-NSHDSACASA-N 389.499 0.742 0 40 GCAB COc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12528679 KPWGLGRMYSLEAK-SNVBAGLBSA-N 383.455 0.066 0 40 GCAB COc1ccc(S(=O)(=O)NCCNC(=O)c2cccn2C)cc1NC(C)=O 12758745 CXVKGUYQVRYTKJ-UHFFFAOYSA-N 394.453 0.700 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)no1 12822958 LZRCKYSJKBHFDU-UHFFFAOYSA-N 399.407 0.710 0 40 GCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)CC1=O 19526957 WPWJYZMTMINMKN-YOEHRIQHSA-N 385.468 0.913 0 40 GCAB COc1cc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)cc(OC)c1OC 20673427 HIPJMHXPXRNEOC-JTQLQIEISA-N 381.414 0.522 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CCCCC3)nc1)c(=O)n2C 24115807 YUJZRQHODCZXCR-UHFFFAOYSA-N 397.439 0.458 0 40 GCAB CC(=O)NCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 32819491 IOZUGDWVBFNFDO-UHFFFAOYSA-N 389.843 0.671 0 40 GCAB O=C1C[C@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828184 UFRMJNZDTRBMMB-AWEZNQCLSA-N 397.435 0.391 0 40 GCAB O=C(O)C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 652053070 QFIPZOIHIHJJQW-GHMZBOCLSA-N 391.243 0.773 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@H]21 1565554803 FMUQVLKHJQDKNS-CHWSQXEVSA-N 376.866 0.188 0 40 GCAB Cn1c(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@H]3C2)cccc1=O 1565555134 SYBNULZHNBCNEY-QAPCUYQASA-N 375.469 0.727 0 40 GCAB COC(CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1)OC 4818342 POACAUCEYXEYIV-UHFFFAOYSA-N 391.403 0.652 0 40 GCAB Cn1cc(CN(CCS(=O)(=O)N2CCCCCC2)C(=O)/C=C/C(=O)O)cn1 8992276 YUSCTNYJZXBTGL-VOTSOKGWSA-N 398.485 0.595 0 40 GCAB O=C(NCCCN1CCCC1=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233609 KRSAHOCKZVYKAG-UHFFFAOYSA-N 382.424 0.532 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12234784 UBWWNTQCLOXCSA-GFCCVEGCSA-N 385.511 0.886 0 40 GCAB NC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 13042278 DGQATZFUMPTZLN-AWEZNQCLSA-N 394.497 0.607 0 40 GCAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)C1 19017051 YGVIMQJHCQUJLV-GJZGRUSLSA-N 385.468 0.566 0 40 GCAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)[C@@H]4CC(=O)N(C)C4)[C@@H]32)cc1 19211633 YDJVSCJLOJJWRC-AHEZYBDSSA-N 391.493 0.741 0 40 GCAB O=C(CSc1nncs1)NCCNC(=O)CSc1nncs1 24716325 HICTUOMCSXPIQO-UHFFFAOYSA-N 376.514 0.506 0 40 GCAB COCc1cc(=O)n(CC(=O)NCCc2cccs2)c(N2CCOCC2)n1 67319486 ZXPQUXPNXUBAMC-UHFFFAOYSA-N 392.481 0.647 0 40 GCAB Cc1cc(S(=O)(=O)NCCn2nc(-n3cccn3)ccc2=O)ccc1F 70641026 QMEXVKKHDJCBDD-UHFFFAOYSA-N 377.401 0.855 0 40 GCAB CCOC(=O)[C@]12CCCN(S(=O)(=O)CC)C[C@H]1CN(c1ncccn1)C2 96056070 HBLCDQNZWPNGSE-PBHICJAKSA-N 382.486 0.908 0 40 GCAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]cn3)C2=O)cc1 96222436 UDCXFIPWJOFKAV-INIZCTEOSA-N 385.424 0.978 0 40 GCAB biogenic O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 102302545 IPHAWXRXLSKQAZ-LAQRGFTBSA-N 388.420 0.938 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccs3)C2)C(=O)N1Cc1cccnc1 225382685 OWWWTKHWOSBWQW-WBVHZDCISA-N 398.488 0.702 0 40 GCAB biogenic,in-vitro Cc1ccc(OCC(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)cc1 248005039 GCGKYLKYLLZALJ-OAHLLOKOSA-N 378.454 0.703 0 40 GCAB O=C(CN1C(=O)CNC1=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257310402 UEXUQSKFKHFEPR-MRXNPFEDSA-N 388.415 0.013 0 40 GCAB O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 299045269 DWCKYMHJLSMGNY-CABCVRRESA-N 382.438 0.833 0 40 GCAB CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccnn1CCc1ccccc1 622010960 FGSGUXOCNCKGSE-UHFFFAOYSA-N 391.497 0.178 0 40 GCAB C[C@@]1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)COc2ccccc2O1 623511935 MMWXXBKHYRZAAL-KDOFPFPSSA-N 380.466 0.548 0 40 GCAB Cc1cc2c(N3CCN([C@@H]4CCN(CC(=O)O)C4=O)CC3)ncnc2s1 662210566 HXABHECMRTUCFX-CYBMUJFWSA-N 375.454 0.807 0 40 GCAB CCCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 5785042 FJFVTNPVXHFGNM-CQSZACIVSA-N 385.442 0.683 0 40 GCAB CC[C@@H](c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1)N(C)C 8184884 WBLSQMGSRJUSEP-QWRGUYRKSA-N 376.504 0.820 0 40 GCAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCO 9060103 JAHBNJUOGZLXGZ-UHFFFAOYSA-N 385.399 0.946 0 40 GCAB CCCNC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 9843447 WAWBQSGWYMCYDD-UHFFFAOYSA-N 396.403 0.861 0 40 GCAB CS(=O)(=O)Nc1nc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2s1 12324145 XBZIOSLJJQDJNG-VIFPVBQESA-N 387.464 0.708 0 40 GCAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCCN1CCOCC1 13691883 QLUOTCSZZFQCLW-UHFFFAOYSA-N 386.452 0.560 0 40 GCAB C[C@]1(C(=O)N2CCOCC2)CN(C(=O)c2ccc3nsnc3c2)CCO1 19746877 UXFRFISSQRWAAS-QGZVFWFLSA-N 376.438 0.781 0 40 GCAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22775791 RFAGFDWGNDQBQH-UONOGXRCSA-N 376.482 0.789 0 40 GCAB O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)NCC(F)(F)F 22877204 UGKDQPLGADGLTO-UHFFFAOYSA-N 393.343 0.337 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 22934865 MDAQEVFNLMZHDT-QGZVFWFLSA-N 390.532 0.994 0 40 GCAB CCNc1cc(C)nc(NCCNC(=O)COc2ccc(-n3cccn3)nn2)n1 90607723 OUAOVHYROSDNEK-UHFFFAOYSA-N 397.443 0.800 0 40 GCAB Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 257204164 ATIAGBSQOHMFKI-YSHGAJCASA-N 385.468 0.980 0 40 GCAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1nonc1N)C2 257316706 VGQNBAMUXDSOEZ-IDHHARJASA-N 384.440 0.676 0 40 GCAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCC2CCOCC2)C1 585285811 UECXCHLMWPEPRY-ZWKOTPCHSA-N 384.498 0.189 0 40 GCAB COCCN1C(=O)CN(C2CCN(c3c(C)c(C)nc4ncnn34)CC2)C1=O 1888866987 PZAXZBOVABYFEQ-UHFFFAOYSA-N 387.444 0.621 0 40 GCAB OCCOCCOc1ccc(CN2CC[C@@](O)(CN3CCOCC3)C2)cc1 2037916469 ZSCMVSFFFCLAMZ-HXUWFJFHSA-N 380.485 0.343 0 40 GCAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 2408672 JWUZXDRQFLIFBO-ZDUSSCGKSA-N 387.440 0.696 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5348195 HWFXDYWQMGAYIQ-WLSVTFSOSA-N 384.436 0.471 0 40 GCAB CCCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Br 6914516 USDFQNHFWXENJX-UHFFFAOYSA-N 379.232 0.780 0 40 GCAB COc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1OC 8718830 FUYWZODCEHWCHW-UHFFFAOYSA-N 384.186 0.955 0 40 GCAB CC1CCN(C(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)CC1 8848855 ZXOAOMNNDCIZDS-UHFFFAOYSA-N 387.415 0.954 0 40 GCAB CCCn1c(SCC(=O)N2CCNC2=O)nc2cc(S(N)(=O)=O)ccc21 9126828 DRRNXIDBLRVUNM-UHFFFAOYSA-N 397.482 0.738 0 40 GCAB COCCn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n(C)c(=O)n(C)c21 11835557 HRSDDJJDWKLSOL-UHFFFAOYSA-N 399.407 0.036 0 40 GCAB CN1C[C@H](C(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)CC1=O 19587163 BMDPCVOESVTBFU-CQSZACIVSA-N 384.436 0.228 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)/C=C\C(=O)O)CC2)cc1 36627481 FYUPTHAELBIKAE-SREVYHEPSA-N 382.438 0.485 0 40 GCAB Cc1nc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)sc1C(=O)N(C)C 38679986 HXFLICBYQJHIIQ-UHFFFAOYSA-N 387.421 0.795 0 40 GCAB CC(C)C[C@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)C(=O)N(C)C 47070577 PAGPYSORGYSFAR-MAUKXSAKSA-N 386.562 0.996 0 40 GCAB Cc1ccc([C@@H]2[C@]3(O)[C@H](O)[C@@H](c4ccc(C)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1 49588431 MJPRYKBMEQUDDW-QAHMESRPSA-N 386.444 0.105 0 40 GCAB O=C(c1ccnnc1)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96243691 BQWPNFISBAQVEX-MRXNPFEDSA-N 396.451 0.826 0 40 GCAB O=S(=O)(c1ccccc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224332369 HWHYUGJBOKKXPM-UHFFFAOYSA-N 389.481 0.824 0 40 GCAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(C(N)=O)CC1 224980165 BIADAUISCHCQIS-MRXNPFEDSA-N 397.497 0.964 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1C(C)=O 257292708 QMQBDCKKLDDTFP-MRXNPFEDSA-N 395.481 0.046 0 40 GCAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@H]1CC(=O)N(Cc2ccccn2)C1 529822716 MSWTYKSWPGYKEG-KKSFZXQISA-N 381.432 0.913 0 40 GCAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 575616122 JIRNNEQHVOWGIG-OAHLLOKOSA-N 391.453 0.935 0 40 GCAB CCn1ccc2ccn(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)c(=O)c21 575617824 RMQSRJGHVOFNMB-UHFFFAOYSA-N 394.497 0.611 0 40 GCAB CNC(=O)c1cc(S(=O)(=O)NCc2ccncc2OCCN(C)C)cn1C 585083777 LAIKVEGMNKMIRN-UHFFFAOYSA-N 395.485 0.199 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)N2CC(=O)Nc3ccccc3C2)[C@H]1c1cnn(C)c1 585112982 RCRPTWPPGVGUSD-MOPGFXCFSA-N 397.435 0.689 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CCO1 647732425 HFJBGLTVGTWBNH-KRWDZBQOSA-N 390.436 0.715 0 40 GCAB CC(=O)N1CCC(N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3ccccc3)nn2)CC1 1548925281 OFIATORHRSMCLL-XUVXKRRUSA-N 385.468 0.674 0 40 GCAB COc1cc(OC2CC2)ccc1C(=O)NC[C@@]1(c2nccn2C)NC(=O)NC1=O 1615585500 BLYOKFLJMPKBIX-IBGZPJMESA-N 399.407 0.435 0 40 GCAB O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6848699 RQAIDISLASZVDB-UHFFFAOYSA-N 375.497 0.114 0 40 GCAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1 7979156 ZKLXFLIVHLMFPI-NSHDSACASA-N 391.355 0.835 0 40 GCAB COc1ccc(CN(Cc2c(C)n(C)c(=O)n(C)c2=O)C[C@@H](C)O)cc1OC 12185513 PVPOZPZUDJDRGW-CYBMUJFWSA-N 391.468 0.793 0 40 GCAB O=C(COC(=O)CCC(=O)OCC(=O)NCc1ccco1)NCc1ccco1 13999704 KJPOXDZEFJRGRD-UHFFFAOYSA-N 392.364 0.672 0 40 GCAB CCN1CCN(C2=NC(=O)C[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)N2)CC1 19528114 YTPNAIOXOQLCJO-MRXNPFEDSA-N 386.456 0.466 0 40 GCAB CNc1nc(C2CCNCC2)nc2c1CCN(CC(=O)N[C@@H](C)COC)C2 19711352 PCUBTECXSPCPCR-ZDUSSCGKSA-N 376.505 0.495 0 40 GCAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(C)CC1 22914490 QMEZDZUNWQGYPQ-HNNXBMFYSA-N 396.513 0.282 0 40 GCAB CC(C)NS(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 31772683 IQHUKEBTVRAIMH-CYBMUJFWSA-N 381.497 0.334 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 40070329 JLKYKAKLJQRYAI-UHFFFAOYSA-N 398.510 0.685 0 40 GCAB COCCN1CCC(CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1 96025667 LECCXSTZEDSPRF-UHFFFAOYSA-N 383.470 0.768 0 40 GCAB O=C(NCc1nnc2c(O)nccn12)C1CCN(C(=O)c2ccccc2)CC1 245053683 PGBPHFDKWXCCCX-UHFFFAOYSA-N 380.408 0.999 0 40 GCAB O=C(NCC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1)c1ccccc1 257240896 HVPVEDZWBBJFKD-HXUWFJFHSA-N 375.469 0.492 0 40 GCAB O=C(c1ccco1)N1CC[C@]2(C1)Cn1c(nn(CC3CCC3)c(=O)c1=O)CO2 306135064 OGNFYDPYTCGJHL-IBGZPJMESA-N 386.408 0.613 0 40 GCAB COc1cc([C@H](CC(=O)N[C@@H](C)C(N)=O)c2oc(C)cc(=O)c2O)ccc1O 524729863 MEFZUWCUDMLPQB-JQWIXIFHSA-N 390.392 0.880 0 40 GCAB biogenic CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccc(Cn2cccn2)cc1 626330385 ZLWNNJIMOOJFHJ-MRXNPFEDSA-N 393.469 0.713 0 40 GCAB Cc1ncnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1F 1775975803 OHVMZDVALPUSPU-UHFFFAOYSA-N 391.428 0.930 0 40 GCAB CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 1530702 OHKOGUYZJXTSFX-APOZVJGGSA-N 384.435 0.548 0 40 GCAB in-vitro Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CC2)cc1 3016082 GEURYYBMECWFDS-OAHLLOKOSA-N 381.454 0.127 0 40 GCAB O=S(=O)(Cc1ccccc1CNc1ccc2nnnn2n1)N1CCOCC1 12898311 ZPNQNXSLUQECKH-UHFFFAOYSA-N 389.441 0.293 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)c2ccccc2)cc1 12940558 GCKUOAXGCQVPBC-UHFFFAOYSA-N 375.450 0.813 0 40 GCAB C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)NC(=O)NC1CCCC1 18389238 LFJCLXXFXIAWMQ-MRVPVSSYSA-N 389.455 0.709 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O 19526966 YFMJFFRMSZRANS-HUUCEWRRSA-N 385.468 0.566 0 40 GCAB COCCNC(=O)CN1CCN([C@@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20715590 OOSOFUUNOHHUHR-LJQANCHMSA-N 388.468 0.982 0 40 GCAB CCN1CCN([C@H](CNC(=O)C(=O)NCc2ccncc2)c2cccnc2)CC1 22457177 PMHLHQOKPDOIOY-LJQANCHMSA-N 396.495 0.588 0 40 GCAB Cn1c(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)nnc1C1CC1 35421627 WWCUZRFXZVAQTQ-UHFFFAOYSA-N 392.529 0.551 0 40 GCAB O=C(CCn1nnc2ccccc2c1=O)NCCCc1nnc2ccccn12 72403177 WVBJPTMPFXTGHD-UHFFFAOYSA-N 377.408 0.973 0 40 GCAB CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 90611920 ZFICQMKSNXZJRP-INIZCTEOSA-N 385.420 0.947 0 40 GCAB O=C(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCCCC1 121818950 RRLBUMBDEGOKTI-UHFFFAOYSA-N 388.516 0.838 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCCCC3)n2)CC1 224209228 NLOLWDAXUAJHFF-UHFFFAOYSA-N 381.502 0.755 0 40 GCAB CCOC(=O)[C@@H](C)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760206 LCWNTFAYKHPCAH-GFCCVEGCSA-N 388.424 0.988 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCN1C 257224657 FCTOSRNNLHYEKD-CYBMUJFWSA-N 383.374 0.944 0 40 GCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257270177 MTBMTMCPRDCVFY-GFCCVEGCSA-N 391.453 0.908 0 40 GCAB CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1c[nH]c2c(F)cc(F)cc2c1=O 507290351 IXMNTSROANQXBS-QWRGUYRKSA-N 396.369 0.776 0 40 GCAB CN1CCO[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@@H]21 568671228 ZNTZDXWOBQSDLZ-HOTGVXAUSA-N 382.486 0.079 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NCc2ccnc(N3CCCC3=O)c2)C1=O 575618080 DREJTKKWCFJWGN-UHFFFAOYSA-N 381.414 0.115 0 40 GCAB CC(C)[C@@H](CNC(=O)c1cnc2cccnn12)NC(=O)c1cnc2cccnn12 582669205 FWMJRIODEJTTFD-CYBMUJFWSA-N 392.423 0.956 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 626241089 VCYBLWFFXLSGMX-JTQLQIEISA-N 393.368 0.790 0 40 GCAB O=C(NC[C@@H]1CCCNC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 646004192 YVYVRYQBGWXPSR-HNNXBMFYSA-N 379.482 0.730 0 40 GCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cncc(O)c5)C[C@H]4C3)nn12 1888909563 WHBRHMXQHFHTEP-ZIAGYGMSSA-N 379.424 0.996 0 40 GCAB O=C(Cc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243226 SYGHEOUFGNEOAR-INIZCTEOSA-N 393.440 0.660 0 40 GCAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CC1 2492528 YYKDXDPLSANFHX-HNNXBMFYSA-N 398.297 0.414 0 40 GCAB CS(=O)(=O)Nc1cccc(CNC(=O)Cn2nnc3ccccc3c2=O)c1 10548911 CHZXEJDDZQWBHK-UHFFFAOYSA-N 387.421 0.479 0 40 GCAB O=C(CCn1nnn(-c2ccccc2)c1=O)NN1C(=O)NC2(CCCCC2)C1=O 11751271 RKOWLPOBYHIECA-UHFFFAOYSA-N 399.411 0.105 0 40 GCAB CS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 15013188 OKWDSQULWUYWFX-UHFFFAOYSA-N 382.463 0.710 0 40 GCAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCOCC1 16322241 YQKBUPBGLLDBNB-CQSZACIVSA-N 384.454 0.334 0 40 GCAB Cn1c(=O)c2ccccc2n2c(COC(=O)C[C@@H]3C=CS(=O)(=O)C3)nnc12 16446713 GPDINVQYLMIUAT-NSHDSACASA-N 388.405 0.573 0 40 GCAB O=C1CN(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C(=O)N1 40086567 SWLKRARIUYQIIO-QMMMGPOBSA-N 381.186 0.385 0 40 GCAB Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc(Cl)c2)n(C)c1=O 62720588 HINZOWFJNUOZBT-UHFFFAOYSA-N 388.859 0.545 0 40 GCAB Cn1nnnc1COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 96101299 PSZAXKRRDAAPPL-UHFFFAOYSA-N 396.407 0.980 0 40 GCAB COc1ccc2nnc(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)n2n1 96221898 DEZFIYQSDHPRQS-KGLIPLIRSA-N 394.435 0.873 0 40 GCAB biogenic O=C(c1noc2c1CCCC2)N1CCN(c2ccc(-n3cncn3)nn2)CC1 206871912 FYHXPINCYAPABE-UHFFFAOYSA-N 380.412 0.887 0 40 GCAB Cc1cc(C)n2nc(C(=O)N3CC[C@H](Oc4ccc(N(C)C)nn4)C3)nc2n1 225448811 XQJYUJRFUNXASE-ZDUSSCGKSA-N 382.428 0.891 0 40 GCAB O=C(O)CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423740 QXPOQKCAXAZJST-GJZGRUSLSA-N 399.446 0.073 0 40 GCAB CN(C)N([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575425568 ZYYCHSRPZONJLK-HZPDHXFCSA-N 384.479 0.465 0 40 GCAB O=S(=O)(N1CCOCC1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888903785 BCEXFGOEPMAUSF-CJNGLKHVSA-N 386.449 0.674 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@]3(CO2)CN(Cc2nccs2)CCO3)C1 2056226284 OLVRSMOPDDTOBQ-HBUWYVDXSA-N 394.497 0.227 0 40 GCAB CNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3437985 ABPRAHWAWKULKI-UHFFFAOYSA-N 397.453 0.864 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314298 KYJAIDWUFSTFBE-GFCCVEGCSA-N 389.412 0.118 0 40 GCAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)c1cccn1C 6179847 AFKYFKFMDKTPIY-WJDWOHSUSA-N 394.391 0.818 0 40 GCAB CCCCN(C(=O)COC(=O)[C@@H]1C[C@@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O 6641238 BGVLFCWITZBAKL-NWDGAFQWSA-N 380.445 0.861 0 40 GCAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2cccc3nsnc23)CC1 19079850 RHSPKLDSGYQEOQ-UHFFFAOYSA-N 376.485 0.394 0 40 GCAB CN(C)c1ncc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cn1 19585556 ZAPNGZLQQHXLNK-UHFFFAOYSA-N 378.440 0.684 0 40 GCAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCSCC(N)=O)cc1 23073979 LODWHZQTUISCPG-UHFFFAOYSA-N 387.527 0.739 0 40 GCAB Cc1c(CCC(=O)NC[C@@H]2Cc3ccccc3O2)c(=O)[nH]c2c1c(=O)[nH]n2C 30683192 ZKFBKRJCOQSTTO-ZDUSSCGKSA-N 382.420 0.916 0 40 GCAB COc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F 32745023 QDOBWCJSMSDWOS-SNVBAGLBSA-N 389.387 0.459 0 40 GCAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCn1nnc2ccccc2c1=O 32836813 WLLRPPLLAXPVAE-KRWDZBQOSA-N 377.404 0.620 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2nncs2)o1 35597127 PPMXZDOJPBLSKL-UHFFFAOYSA-N 395.426 0.122 0 40 GCAB COC(=O)c1cnc(N2CCSCC2)c(S(=O)(=O)N2CCOCC2)c1 40153760 BMQJBZCSXHLJEL-UHFFFAOYSA-N 387.483 0.442 0 40 GCAB CCCNC(=O)NC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 54639088 PUQLIZRMOQYYBX-UHFFFAOYSA-N 382.486 0.665 0 40 GCAB CNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccc(F)cc2)N(C2CC2)C(=O)[C@H]13 100466336 ZDLFAXSVZWDOTC-HYZGJNHZSA-N 399.422 0.501 0 40 GCAB COc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O 225513089 KKZKDGZYVQRKBR-UZKILMIQSA-N 378.469 0.985 0 40 GCAB biogenic,in-vitro CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)Cn3ccnc3C)CC2)CC1 257284590 PDGWWNMECGYSKT-HXUWFJFHSA-N 391.516 0.536 0 40 GCAB CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)C1 273674424 JWSLZQRINFVDQD-ZFWWWQNUSA-N 395.481 0.839 0 40 GCAB CCS(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 306139727 TYTBXXCZIJLSJD-OLZOCXBDSA-N 375.454 0.984 0 40 GCAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408589884 GHTFSRNILODPHG-HNNXBMFYSA-N 399.513 0.591 0 40 GCAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704613 QOJULVVEMVXUMF-GXTWGEPZSA-N 384.454 0.908 0 40 GCAB CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1ccc(F)cc1 408705838 OKDBOZHLQZIRCA-UHFFFAOYSA-N 387.477 0.820 0 40 GCAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1cccc(-n2cnnn2)c1 575617349 SVKHRXFMGAINCH-CYBMUJFWSA-N 376.384 0.109 0 40 GCAB O=C(O)CN1CCCC[C@H](N2CCN(Cc3cccc(F)c3)C(=O)C2)C1=O 643873779 GQRSOXIYPGUIMO-INIZCTEOSA-N 377.416 0.936 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2ccccc2)o1 3315912 YFUDWPVBZNUDBR-LBPRGKRZSA-N 390.421 0.719 0 40 GCAB COc1ccccc1C(=O)NCCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 6938750 GWXRYHJDRLCIRN-UHFFFAOYSA-N 384.392 0.652 0 40 GCAB O=C(NCCn1ncccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11856303 RRZQHZRLGJJQTP-UHFFFAOYSA-N 390.465 0.848 0 40 GCAB CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 12393273 IZDFHHVPNPDEDP-MELADBBJSA-N 398.504 0.907 0 40 GCAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 12813798 HOIILQDVKSEOOM-LBPRGKRZSA-N 375.381 0.676 0 40 GCAB CC(C)C[C@@H](C(=O)N[C@@H](C(=O)O)[C@H](C)O)n1c(=O)[nH]c2ccccc2c1=O 12889110 ZXBWYXAJSHQNLM-LEWSCRJBSA-N 377.397 0.227 0 40 GCAB biogenic CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCOC)cc1 13372019 CHFSHWYPZVPYBC-GJZGRUSLSA-N 377.484 0.261 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24688696 PYYUDFDEKLHVQW-CYBMUJFWSA-N 389.499 0.139 0 40 GCAB C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 30857019 XZFKAHCDASHHLZ-YESZJQIVSA-N 388.578 0.989 0 40 GCAB CCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n[nH]c1=O 32950583 HMFWZJFWBIBODN-LLVKDONJSA-N 376.504 0.499 0 40 GCAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 47793808 NVLIZWVYNMZEON-MRXNPFEDSA-N 388.468 0.319 0 40 GCAB CN1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 72241375 KGYPWDFQTXTEHA-IRXDYDNUSA-N 381.860 0.687 0 40 GCAB COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 72245338 HENWXJWQIKSJNL-RIQCMHEESA-N 392.408 0.434 0 40 GCAB Cn1nc(N2CCC[C@@H](C(=O)Nc3nc(CC(N)=O)cs3)C2)ccc1=O 77100980 URNKPLFCPRXBOK-SNVBAGLBSA-N 376.442 0.120 0 40 GCAB COc1cccc(C(=O)NCC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 95947295 PMMDHICDLIQRMM-UHFFFAOYSA-N 397.479 0.888 0 40 GCAB CC(C)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C(N)=O 257275570 NPXUVFRRNITQNH-HNNXBMFYSA-N 385.461 0.396 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c1 575425140 YCZNWRCRPDJXQB-OAHLLOKOSA-N 392.499 0.230 0 40 GCAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@H](CN1CC[C@H](O)C1)C2 585103636 HTEWCSSRZWCSSP-HOTGVXAUSA-N 381.498 0.708 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)Cn2ccnc2)CCO1 585283978 PYXLXQAWVDCUQJ-SFHVURJKSA-N 376.388 0.574 0 40 GCAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 630226297 WRXGWCGGMVNEFH-CVEARBPZSA-N 380.489 0.922 0 40 GCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 643431353 HXCHRCWPAFZTAP-LLVKDONJSA-N 389.813 0.825 0 40 GCAB CN1C(=O)C[C@H](C(=O)N2CCOCC3(CCOCC3)C2)[C@H]1c1nccn1C 1615589250 JXZAJJIORHEYIX-HOCLYGCPSA-N 376.457 0.595 0 40 GCAB CCN1C(=O)[C@H]2CN(C(=O)c3cn4ccccc4n3)CCN2C12CCOCC2 1772595265 HTVXCVMHVJJFQH-MRXNPFEDSA-N 383.452 0.830 0 40 GCAB CCOC(=O)CNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1675887 WEZRRYSRLGXKCW-CYBMUJFWSA-N 386.426 0.186 0 40 GCAB CC1(C)S[C@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O 3871878 FPPNZSSZRUTDAP-PUHVVEEASA-N 378.406 0.487 0 40 GCAB in-vitro Cn1c(Cc2cccs2)nnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 5579529 IMCDZUGYTQTZDH-JTQLQIEISA-N 386.524 0.863 0 40 GCAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)N[C@H]1CCS(=O)(=O)C1 6321940 YPAAHCVXUMTJCB-HOCLYGCPSA-N 397.449 0.705 0 40 GCAB COc1ccc(NC(=O)C2=COCCO2)cc1S(=O)(=O)N1CCOCC1 8851528 NBRNOZPUKHSUBX-UHFFFAOYSA-N 384.410 0.543 0 40 GCAB CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)N1CCOCC1 13955989 PTIWQPRMABRUDO-UHFFFAOYSA-N 396.498 0.887 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)NCc2nnc3n2CCCCC3)cc1 32801957 FRFYMXRSKCAGJF-UHFFFAOYSA-N 392.485 0.694 0 40 GCAB O=C([C@H]1CCCO1)N1CCN(c2nc(N3CCCC3)nc(-n3ccnc3)n2)CC1 36705740 KOLZNIBMTJQQFB-OAHLLOKOSA-N 398.471 0.485 0 40 GCAB CC(=O)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1 71404974 STLFWKVWMFPGFQ-RSUWNVLCSA-N 376.434 0.991 0 40 GCAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CN1CCOCC1 72352094 ASCRDKCFZDBBRB-UHFFFAOYSA-N 383.452 0.494 0 40 GCAB O=C1CCC(c2ccccc2)=NN1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 79479156 MWNSVZBPQIOOIP-QGZVFWFLSA-N 390.509 0.775 0 40 GCAB CS(=O)(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@]2(c2ccccc2)C1 96083397 FNDURJOUAYTPMD-RHSMWYFYSA-N 375.454 0.480 0 40 GCAB Cn1cc(CN2CCN(CC(=O)N3CCOCC3)CC2)c(-c2ccncc2)n1 98161860 ULQQGXLCJPDBSB-UHFFFAOYSA-N 384.484 0.459 0 40 GCAB CC(=O)NCc1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101572595 CLPIUSSYKFZUDI-GVAFMPQTSA-N 387.461 0.921 0 40 GCAB Cc1c(C(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)[nH]c2ccc(F)cc12 257209158 BPGANBAXARCDDV-LMMKCTJWSA-N 391.443 0.884 0 40 GCAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2ccc(C(=O)NCCN3CCNC3=O)cc2)N1 257209423 BQHPIGYOGLCVCI-ZOBUZTSGSA-N 387.440 0.548 0 40 GCAB O=C(O)C1CCN(C(=O)N2CCN(S(=O)(=O)[C@H]3CCCOC3)CC2)CC1 548226052 KGIRJHXYBWZQPH-AWEZNQCLSA-N 389.474 0.029 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)NC5CCOCC5)C[C@H]4C3)nn12 2087022436 UPKQUPZVOATGKJ-OKILXGFUSA-N 385.472 0.943 0 40 GCAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2720262 TXSIVNFIFOKVAG-UHFFFAOYSA-N 398.441 0.914 0 40 GCAB CC(C)c1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1N 3295857 WLHBHXWWYOUAMT-UHFFFAOYSA-N 378.458 0.785 0 40 GCAB CSCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4762562 VLJOWOASNQUTGI-CYBMUJFWSA-N 397.453 0.352 0 40 GCAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(c2ncccn2)CC1 7980343 CGEWDZQOKPGUEE-VGOFMYFVSA-N 387.465 0.716 0 40 GCAB CC[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)Nc1cc(C)on1 8938520 XEBWUXWNKTXEQC-LBPRGKRZSA-N 394.409 0.741 0 40 GCAB Cn1c(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc(=O)n(C)c1=O 10498234 OTTVHFPEVCZPNP-QGZVFWFLSA-N 376.800 0.705 0 40 GCAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1 12602282 UFIIGLJHQRTWOF-GBESFXJTSA-N 397.633 0.835 0 40 GCAB biogenic,in-vitro CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19572832 QHMGXTFACZKLGC-CQSZACIVSA-N 380.470 0.551 0 40 GCAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3[C@@H](O)[C@@]21C 20411560 HMSAIGOZLMKVAN-RUNBYEGESA-N 378.513 0.881 0 40 GCAB CCCCCn1c(CN2CCN(CC)CC2)nc2c1c(=O)n(C)c(=O)n2C 22930743 DDSWRFHPNOFMKQ-UHFFFAOYSA-N 376.505 0.761 0 40 GCAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 25051792 RYCQKQLQNBEHAO-GFCCVEGCSA-N 388.417 0.285 0 40 GCAB O=C(CN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1)N1CCOCC1 35334235 RWADMZPFISHLDJ-UHFFFAOYSA-N 383.452 0.489 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)NCCO)CC2)cc1 40138938 PYUKRRPEFWSYOT-UHFFFAOYSA-N 384.458 0.090 0 40 GCAB CC(C)N(C)S(=O)(=O)N1C[C@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 40149774 NWMKTVCJXSESRC-QGZVFWFLSA-N 396.513 0.613 0 40 GCAB CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2C)CC1 95940680 IKCHGTGUSMFBOO-UHFFFAOYSA-N 397.497 0.868 0 40 GCAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 96036793 JVXZCCBRKGAFHA-INIZCTEOSA-N 398.467 0.976 0 40 GCAB O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2CN(c3ncc(F)cn3)C[C@H]21 96083426 TZEMZROYARHGQF-UONOGXRCSA-N 390.444 0.907 0 40 GCAB COC(=O)CNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96100930 LGCOWQCZKANGPZ-UHFFFAOYSA-N 389.408 0.997 0 40 GCAB Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)nn3)cnc21 97117123 TZNJUPWMVNCOGT-UHFFFAOYSA-N 390.425 0.510 0 40 GCAB Cc1cc(=O)oc2cc(O[C@]3(C)O[C@H](CO)[C@](C)(O)[C@](C)(O)[C@]3(C)O)ccc12 101109305 VERJTZMTVXTWPT-QDGKJQRMSA-N 394.420 0.841 0 40 GCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169679488 ORPWLMJRWWIUFM-ZNLHFFCSSA-N 389.433 0.468 0 40 GCAB CCCCS(=O)(=O)N(C)CC(=O)NCc1cc(C)nc(N2CCOCC2)n1 206727346 QPNMJVCPWDZQNG-UHFFFAOYSA-N 399.517 0.300 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C(C)C 257320661 VXUMAVFYNAXIBZ-MRXNPFEDSA-N 399.488 0.657 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831504 SEPYIOOPYXWZPC-ZDUSSCGKSA-N 390.407 0.229 0 40 GCAB O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1ccncc1 575402885 DHASXRDEKMPTTA-QJPTWQEYSA-N 379.360 0.608 0 40 GCAB O[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1N1CCOCC1 585272943 NOSCZDKQDXXNIA-SFTDATJTSA-N 391.512 0.275 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCCN([C@@H]4CCOC4)CC3)cc21 1565523067 YIORLIWOVNNSKD-CYBMUJFWSA-N 381.454 0.617 0 40 GCAB COCCCN1CCO[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C[C@@H]21 2056224285 UOJSTBKHDYIGFU-YJBOKZPZSA-N 398.481 0.568 0 40 GCAB Cc1cccc(OC[C@@H](O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 2429771 SEBHRCKIABTDOX-NSHDSACASA-N 378.816 0.835 0 40 GCAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NN3CCN(C)CC3)c2)C[C@@H](C)O1 3217127 VNPJTPVSMYKSGB-HUUCEWRRSA-N 396.513 0.377 0 40 GCAB COC(=O)C1=C(C(=O)OC)[C@@H]2C(C)=CC(C)=CN2C(C(=O)OC)=C1C(=O)OC 4649469 NIAYDOWGZDIMJA-AWEZNQCLSA-N 391.376 0.777 0 40 GCAB Nc1c(C(=O)CSc2nnc(-c3cccnc3)o2)c(=O)[nH]c(=O)n1C1CC1 9377829 NNOHUNUZKNNKBQ-UHFFFAOYSA-N 386.393 0.874 0 40 GCAB NC(=O)C1CCN(C(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 12880252 DTPDGJSVPCXADS-UHFFFAOYSA-N 389.437 0.350 0 40 GCAB Cn1c(=O)c2c(nc(SCC(N)=O)n2C/C=C/c2ccccc2)n(C)c1=O 32824438 HYTLKMCOVHLFGX-RMKNXTFCSA-N 385.449 0.725 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1 38490041 LBRSDXOPJXYJHM-DZGCQCFKSA-N 379.482 0.466 0 40 GCAB COC(=O)c1ccc(N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)nn1 40153487 KPRIFHTYEOCVTQ-UHFFFAOYSA-N 395.441 0.769 0 40 GCAB CCNC(=O)CN(CC)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 58344243 UJSGSWVIAAXKGR-UHFFFAOYSA-N 377.413 0.618 0 40 GCAB CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1C(N)=O 257242109 IBDRMSKSGYNMOZ-AWEZNQCLSA-N 399.417 0.945 0 40 GCAB Cc1cc(=O)oc2cc(O[C@]3(C)O[C@H](CO)[C@](C)(O)[C@@](C)(O)[C@]3(C)O)ccc12 257345103 VERJTZMTVXTWPT-MTEHYEEQSA-N 394.420 0.841 0 40 GCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 585123219 DNQOFKGIZKNXMX-SNVBAGLBSA-N 397.423 0.910 0 40 GCAB CC(=O)N[C@@H]1c2nccn2CCC12CCN(C(=O)CCS(C)(=O)=O)CC2 1565549956 KZEMVZWBFCMTGJ-OAHLLOKOSA-N 382.486 0.508 0 40 GCAB Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1 4005133 FOWIXTXGHZOBNQ-UHFFFAOYSA-N 393.407 0.567 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n(CCCOC)c(C)c(C)n23)n(C)c1=O 4314333 LZECGAOPINNBRI-UHFFFAOYSA-N 391.428 0.366 0 40 GCAB O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(Cl)cc1 8748308 HYOLQFAJQURJMI-UHFFFAOYSA-N 380.876 0.755 0 40 GCAB CC(C)(C)OC(=O)N1CCN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CC1 8980600 QOZPTUUOSHPRKF-UHFFFAOYSA-N 388.424 0.769 0 40 GCAB CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219768 SPZCWVQGHUBBHS-UHFFFAOYSA-N 380.401 0.905 0 40 GCAB CCCn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n(C)c(=O)n(C)c21 11845249 BXOKIDZSMFZFHR-UHFFFAOYSA-N 389.456 0.191 0 40 GCAB C[C@H](NC(=O)c1cnn(C)c1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366305 BFOJPNZQQRHTGA-WMLDXEAASA-N 385.468 0.890 0 40 GCAB O=C(O)/C=C/c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 13249534 YSDDFXHRKCVTDU-WHWKNOJMSA-N 394.449 0.796 0 40 GCAB CC(=O)N1CCc2nc(C3CCN(C(=O)C4=NNC(=O)CC4)CC3)ncc2C1 19018780 RJVPUNMUPNDTRO-UHFFFAOYSA-N 384.440 0.353 0 40 GCAB Cc1cc(N2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)n2ncnc2n1 19117413 DLSBAQHRUUMDKN-BETUJISGSA-N 396.455 0.692 0 40 GCAB NC(=O)NCc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 19352360 ZGBKSYKWOYPKKP-UHFFFAOYSA-N 393.421 0.738 0 40 GCAB O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1 36359142 OWBLXDABCMGCPO-LLVKDONJSA-N 390.259 0.874 0 40 GCAB CCc1ccccc1Nc1nc(N)nc(CN2CCN([C@@H](C)C(N)=O)CC2)n1 72308116 SMHOJDUANHEXCX-ZDUSSCGKSA-N 384.488 0.751 0 40 GCAB Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(C(=O)[C@H]3CCCO3)CC1)CS2 90609602 UXDPXTBHMPBGCI-ZIAGYGMSSA-N 392.481 0.123 0 40 GCAB CN1CCc2cc([C@@H](O)CNC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21 96362441 PNLTUQCARYXWHY-KRWDZBQOSA-N 381.498 0.500 0 40 GCAB COC(=O)C1=NN[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 100859866 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O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccn2)CC1 8547736 XENYSVBSDBKBEU-AWEZNQCLSA-N 389.485 0.688 0 40 GCAB Cc1cnc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 8705316 BDRFGXYWZSCZRV-UHFFFAOYSA-N 376.438 0.736 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1OC 10157520 PPHVVEQAOZKDNK-JKSUJKDBSA-N 388.424 0.175 0 40 GCAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccco3)NS(=O)(=O)N2C)C1 12130104 DVWPBTGXDQKFEZ-HZSPNIEDSA-N 399.469 0.661 0 40 GCAB CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14291890 DCEPSRTXRUDJAI-UHFFFAOYSA-N 386.470 0.873 0 40 GCAB O=C1CN(CC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)CCN1 19718817 KCIYRNILBCTNLC-MRXNPFEDSA-N 380.876 0.261 0 40 GCAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 23994318 VWWVRRAOSBGQAM-HNNXBMFYSA-N 388.511 0.911 0 40 GCAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 32980204 DIZINZRXXNKKAW-UHFFFAOYSA-N 383.470 0.444 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)NCCn1nc2ccccn2c1=O 57240077 HHROGPSYQBUGHU-UHFFFAOYSA-N 378.392 0.412 0 40 GCAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(-n3cccn3)nn2)cc1 70641270 KELXRSWRYOOKIH-UHFFFAOYSA-N 393.407 0.781 0 40 GCAB O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCN(Cc2ccccn2)CC1 89883726 WJYPKZCCDSTBFK-INIZCTEOSA-N 377.470 0.746 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099440 MMFUBCMWXNGZEJ-UHFFFAOYSA-N 382.413 0.739 0 40 GCAB COC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 101158943 NBJKIYUNCQGKTF-ZYHUDNBSSA-N 394.181 0.698 0 40 GCAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257209509 BQSCYEZQXDUAPM-JXXFODFXSA-N 385.468 0.278 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCC(C(N)=O)CC1 408597092 WHRIAIATXNXQLX-GFCCVEGCSA-N 383.470 0.394 0 40 GCAB CC[C@](O)(C(=O)OCc1ccc(N2C(=O)CC[C@@]2(O)C(=O)O)cc1)[C@@H](C)O 1772591210 LTKIIGKZQKJIIY-HWOJHCLVSA-N 381.381 0.152 0 40 GCAB Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)C2)cn1 1775966192 UEYKWCXERWQLNY-ZDUSSCGKSA-N 378.454 0.853 0 40 GCAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(S(=O)(=O)c1cn(C)cn1)C2 2055814241 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O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1cnn(-c2ccccc2)n1 71892628 REDQGOLZWDGWPG-DLBZAZTESA-N 389.481 0.649 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 225084248 MRTHRBNRUNBIOT-UHFFFAOYSA-N 381.454 0.341 0 40 GCAB O=C(COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1)NCc1ccco1 408834259 LHRSOBHWDFDMTB-MHWRWJLKSA-N 383.429 0.660 0 40 GCAB O=C1CCCN1CCOc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 585270603 NHKVLAJDCPZJCW-PMACEKPBSA-N 389.496 0.565 0 40 GCAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)NCCN1CCNC1=O 1565552501 XLHYDZKATLNYAO-KURKYZTESA-N 387.484 0.450 0 40 GCAB CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)[C@]3(CCOC3)C2)cc1 1615590127 JXTAQALZEMQJDF-GOSISDBHSA-N 381.498 0.460 0 40 GCAB COc1ccccc1CNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6637135 SBORLCGRQNUAMS-UHFFFAOYSA-N 391.815 0.412 0 40 GCAB NS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1 10706926 DOSLVMWKELJRAU-UHFFFAOYSA-N 396.856 0.570 0 40 GCAB Cc1nn(C)c2ncc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc12 12778134 WGRUDKGGDNEMGM-UHFFFAOYSA-N 391.439 0.916 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12925765 BOOVBZWUGKNJPY-DOMZBBRYSA-N 399.900 0.945 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@H](O)CN1c1ccc(Br)cc1 13739066 KHAQMUODTYMPJP-SNVBAGLBSA-N 392.213 0.698 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)CC1 20725835 OJTOSDWRNRANJP-BBRMVZONSA-N 391.424 0.632 0 40 GCAB C[C@H](Cn1cccn1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 24805107 GUWFHDNFKGHFJU-CQSZACIVSA-N 378.454 0.723 0 40 GCAB O=C(Cc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29385383 HLJKFVVYGRDCET-UHFFFAOYSA-N 393.509 0.439 0 40 GCAB CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 33028569 LPHHPYCZFJCDPV-INIZCTEOSA-N 381.498 0.922 0 40 GCAB CCN(CC(=O)NC)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 40118818 FZJMFMJEXZZFNC-KBPBESRZSA-N 397.497 0.693 0 40 GCAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)C2CC2)CC3)C1=O 96036517 FRLSPJWCUDJEAH-GOSISDBHSA-N 383.514 0.662 0 40 GCAB CN1CCN(Cc2ccccc2)C2(CCN(S(=O)(=O)N(C)C)CC2)C1=O 96230330 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Cn1ncc2c(N3CCN(CC(=O)NCc4ccc(F)cc4)CC3)ncnc21 14856325 ISEIESDJJCTZKG-UHFFFAOYSA-N 383.431 0.941 0 40 GCAB COCCNC(=O)CN1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 19017385 CPODYOPYSNSVCA-KRWDZBQOSA-N 375.473 0.671 0 40 GCAB C[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)NC(=O)NC1CC1 25957184 ZFSSSFIGYGDURT-SECBINFHSA-N 392.441 0.882 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)C[C@@H](C)O1 26776645 MDURUIQUSNIBPS-GHMZBOCLSA-N 390.897 0.188 0 40 GCAB O=C(NCCN1CCN(c2ccccc2)CC1)c1cnc2n(c1=O)CCS2 31539034 CBOLYGVTWXHLKM-UHFFFAOYSA-N 385.493 0.901 0 40 GCAB Cc1cccc(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C 58229672 IKBVLQGOADPIHJ-SJORKVTESA-N 381.498 0.017 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC1 89942293 FCOVHFMYVKYFJZ-ZDUSSCGKSA-N 396.513 0.573 0 40 GCAB CN(C)c1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cn1 96000115 MJJWAUJKYHMQNX-AWEZNQCLSA-N 398.489 0.201 0 40 GCAB CN(C)c1nc(N2CCCC2)nc2c1CN(S(=O)(=O)c1cn(C)cn1)CC2 96058571 KMKYDQCELDBQGR-UHFFFAOYSA-N 391.501 0.623 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 225265135 RFUYZJVCQGFMEU-ZIAGYGMSSA-N 383.470 0.461 0 40 GCAB COc1ccccc1CC(=O)N1CCCN(S(=O)(=O)c2cn(C)cn2)CC1 238863011 LCQHSEOJPGVOTE-UHFFFAOYSA-N 392.481 0.894 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2ccnc2)cc1OC 408587873 CMSFYNGRBFJJHZ-CYBMUJFWSA-N 396.469 0.774 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@@H]12 409300653 XXAMBXULZUWPNR-CEOCTAEDSA-N 389.404 0.936 0 40 GCAB Cc1cc(C)n(-c2cc(N3CCN(CC(=O)N4CCOCC4)CC3)nc(C)n2)n1 1889139168 UJSGUAWZCOSTBP-UHFFFAOYSA-N 399.499 0.568 0 40 GCAB O=C(Cc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243110 JYFWRWZPRHLEIV-INIZCTEOSA-N 375.450 0.520 0 40 GCAB COC(=O)CCCNC(=O)NCC1=N[C@H]2[C@@H](C=NN2c2ccccc2)C(=O)N1 13685430 MHNFIZKAJNOFQM-CZUORRHYSA-N 386.412 0.215 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(OC)nc2)c1 17296548 JNLDOWNTKUUZTL-UHFFFAOYSA-N 394.453 0.921 0 40 GCAB CCN(CC)S(=O)(=O)NCCc1cc(N2CCN(C)CC2)nc(C2CC2)n1 19526473 QEUXRRAPJGNTKO-UHFFFAOYSA-N 396.561 0.825 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35374911 UFCUFNYWCRERRM-XNOVLJCHSA-N 388.399 0.220 0 40 GCAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1cccnc1-n1cncn1 47122949 DUZURGGWCLJKMT-UHFFFAOYSA-N 397.439 0.923 0 40 GCAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)NC[C@H]2CCCO2)CC1 49523269 RDKIXNCHLZITQI-CYBMUJFWSA-N 395.485 0.110 0 40 GCAB CC(C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1 97165307 BCPGSQQQAUYQFE-UHFFFAOYSA-N 385.467 0.932 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105554997 PELXGISQCWCKJG-DZKIICNBSA-N 380.466 0.972 0 40 GCAB Cc1noc(-c2cn(CCNC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)nn2)n1 225577503 GSDKYUAYNCODNL-ZDUSSCGKSA-N 387.444 0.934 0 40 GCAB COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc2[nH]ccc12 517779470 ZYMZGIIJIXQHSX-ZYHUDNBSSA-N 375.381 0.501 0 40 GCAB Cn1ccnc(NC(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)c1=O 671531329 XCYLFJWMOQNZMN-AWEZNQCLSA-N 381.396 0.966 0 40 GCAB C[C@H](CSC(F)(F)F)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1138143835 ZIBCLZRIRJANBQ-MRVPVSSYSA-N 387.409 0.527 0 40 GCAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)N5CCCC5)C[C@H]4C3)n1)CCC2 1888897134 LAIBATKJQRLYLP-HUUCEWRRSA-N 377.514 0.982 0 40 GCAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)N(C)C)C[C@@H]4C3)ncn2)n1 2086896533 JXQBKORAYYAGGK-GJZGRUSLSA-N 391.501 0.454 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC(C)C)cc1 3016075 HADTWBWGIYYDQA-HNNXBMFYSA-N 383.470 0.373 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1Cc1ccccc1 4314151 KNSYWZBNGCSWBI-UHFFFAOYSA-N 380.408 0.300 0 40 GCAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(OCC)c2)n1N 5100848 WNPDTDXOWLSXCL-UHFFFAOYSA-N 379.442 0.829 0 40 GCAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H]3CCCO3)cc21 5442238 CGEFNQBVPZJKEJ-CQSZACIVSA-N 381.454 0.633 0 40 GCAB CN(C(=O)COC(=O)c1cncc(Br)c1)[C@@H]1CCS(=O)(=O)C1 6379223 ZCROHLRAVOVCEO-LLVKDONJSA-N 391.243 0.646 0 40 GCAB C[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc2c(c1)OCCO2 6900213 LXXXAUSGOBTDAJ-SNVBAGLBSA-N 391.380 0.658 0 40 GCAB CC(C)[C@H](NC(N)=O)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 7004088 CWDLZFHJAICBLK-ZDUSSCGKSA-N 396.469 0.900 0 40 GCAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCNC1=O 8191080 QVHIMPGGWYSFEX-UHFFFAOYSA-N 384.483 0.900 0 40 GCAB COc1ccc(OC)c(NC(=O)CSc2ncc(CO)n2CC(N)=O)c1 9827633 CEYXICCZGZEGJE-UHFFFAOYSA-N 380.426 0.609 0 40 GCAB COc1cc(OC)nc(NC(=O)COC(=O)c2ccccc2NCCO)n1 10498023 DIHPJGFZIWSWLE-UHFFFAOYSA-N 376.369 0.694 0 40 GCAB COc1ccc(NC(=O)CCn2cncn2)cc1S(=O)(=O)N1CCOCC1 10817319 KNQFVAQYWIILIZ-UHFFFAOYSA-N 395.441 0.336 0 40 GCAB O=C(CSc1nnc(CN2CCCC2)o1)NCCN1C(=O)CSC1=O 12684633 KSJJYPUTFMMVSQ-UHFFFAOYSA-N 385.471 0.569 0 40 GCAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)Nc1ccon1 14802167 SRKJRRXUVYPZIW-UHFFFAOYSA-N 382.398 0.593 0 40 GCAB CC(C)N1C[C@@H](C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)CC1=O 19659364 RVHGCQBKSQWSQA-LBPRGKRZSA-N 378.454 0.098 0 40 GCAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 20674149 NRLWOXKVGZEQKF-CYBMUJFWSA-N 383.408 0.979 0 40 GCAB Cc1cccc(C)c1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22934633 KAZLNYKIAXDQAZ-UHFFFAOYSA-N 396.557 0.823 0 40 GCAB CN1C(=O)C(=O)N(CN2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 26639843 ZDUUQEJDGUHNCQ-UHFFFAOYSA-N 380.426 0.068 0 40 GCAB CN1CCN([C@H](CNC(=O)C(=O)Nc2cnccc2O)c2ccccc2)CC1 49550108 YGDKWQDLFZEJNX-QGZVFWFLSA-N 383.452 0.831 0 40 GCAB O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC(=O)N[C@H]1CCS(=O)(=O)C1 62213292 ZGHMOQJEZGQHSU-LBPRGKRZSA-N 383.857 0.783 0 40 GCAB C[C@@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nc2ccccc2n1 72341022 PCPPCLALOLBGFY-NSHDSACASA-N 384.425 0.613 0 40 GCAB COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCN(C)C)cc1C 80350174 FTZZGCNWXAUAGM-GOEBONIOSA-N 390.527 0.094 0 40 GCAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)COC)CC3)C1=O 96036610 HEQYRQGGTVEAMX-IBGZPJMESA-N 380.489 0.477 0 40 GCAB CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1 96143427 KRTQHCSGHJCIPZ-GOSISDBHSA-N 394.497 0.523 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)C3CCOCC3)CC2)CC1 257303980 SJONTKZJNMNTPL-HXUWFJFHSA-N 381.517 0.757 0 40 GCAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1C 408588933 DEUHBLVDIWZXQX-UHFFFAOYSA-N 383.451 0.803 0 40 GCAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 409201630 WXHMJJWZBLKUEL-CYBMUJFWSA-N 397.497 0.866 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O 585168381 KVTWEJYOMXOPTI-GOSISDBHSA-N 386.452 0.707 0 40 GCAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(CCn5nccn5)C[C@@H]4C3)ncn2)n1 585616741 RROKRAYGVPJPOG-IAGOWNOFSA-N 379.472 0.939 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)nc1 656629894 LMVKCLWHXPRMPQ-UHFFFAOYSA-N 390.465 0.513 0 40 GCAB COc1ccc2c(C)c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1C 2157495 PIUMQQNFLDXJQB-UHFFFAOYSA-N 390.392 0.668 0 40 GCAB biogenic COc1ccccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 3563354 CQGOWKPGQPECEM-UHFFFAOYSA-N 392.433 0.858 0 40 GCAB COCCNC(=O)CSc1nc(CC(C)C)nc2c1c(=O)n(C)c(=O)n2C 4341196 SOLWAWXLIKCWEY-UHFFFAOYSA-N 395.485 0.080 0 40 GCAB CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)O 4899772 CSFVADKICPDRRF-KKUMJFAQSA-N 381.477 0.426 0 40 GCAB in-vitro CN(C)c1ccc(C2=NO[C@@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 5207762 XHKYLNRIGZARHQ-CQSZACIVSA-N 382.424 0.693 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC(=O)Nc3ccccc32)c1 6882396 JBQYLBQCFSPZMY-UHFFFAOYSA-N 390.421 0.084 0 40 GCAB Cc1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1C 7777237 JIRPWTZIFIZGMA-STQMWFEESA-N 388.515 0.410 0 40 GCAB Cn1c(CNC(=O)CCNC(=O)c2cc3ccccc3[nH]2)cc(=O)n(C)c1=O 9135110 LTXLYNRPCCKTFG-UHFFFAOYSA-N 383.408 0.002 0 40 GCAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(S(N)(=O)=O)cc1 9834116 ITRNQDLIEIUAOE-DYZYQPBXSA-N 394.453 0.232 0 40 GCAB CCN(CCNC(=O)c1nonc1N)S(=O)(=O)c1ccc(NC(C)=O)cc1 9971952 CEBKJYMHVXBASL-UHFFFAOYSA-N 396.429 0.051 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2ncccc2=O)cc1 11856317 MLLRBOPNLALSIZ-UHFFFAOYSA-N 378.454 0.704 0 40 GCAB C[C@@H](NC(=O)c1cnn(C)c1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366302 BFOJPNZQQRHTGA-PBHICJAKSA-N 385.468 0.890 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O 19526956 CEONYOGCFGHFNX-JKSUJKDBSA-N 399.495 0.956 0 40 GCAB CN(CCc1ccccn1)C(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 19747369 SYKVFCLKVSDLJV-QGZVFWFLSA-N 384.436 0.322 0 40 GCAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 22056475 GOKGCZDZMSJICV-CABCVRRESA-N 390.527 0.611 0 40 GCAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(CCO)CC3)CC2=O)cc1OC 22808106 BDMOOJDXYLVWOJ-AWEZNQCLSA-N 392.456 0.129 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2NC(=O)NCCN2CCOCC2)cc1 36625106 SBKMEUWPSCBVMW-KRWDZBQOSA-N 396.513 0.737 0 40 GCAB CCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96056180 WNKHOMBLXBFTHV-JXFKEZNVSA-N 387.484 0.790 0 40 GCAB COC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]4Sc5[nH]c(=O)sc5C=C34)[C@@H]2C1=O 101262449 FPRPJYTYDKSJPK-MOWNWSSDSA-N 378.431 0.718 0 40 GCAB O=C(CN1CCN(Cc2ncccc2Cl)CC1)N[C@@H]1CCS(=O)(=O)C1 528415009 BBRWEAZIZAVLSO-CYBMUJFWSA-N 386.905 0.156 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2cccc(F)c2)C1 585289439 GHWSHBCEVOHFPT-MOPGFXCFSA-N 394.468 0.754 0 40 GCAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(C)=O)(C(F)(F)F)C(=O)N3)cc1 3624307 DYDXJUQPIFBRIG-OAHLLOKOSA-N 398.297 0.380 0 40 GCAB CC(C)N(CC(N)=O)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 6639182 CNKWPWUMTOEICI-ZIAGYGMSSA-N 397.497 0.820 0 40 GCAB CO[C@@H](C(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)c1ccccc1 12113737 IAEWAKJNCSZJQL-QGZVFWFLSA-N 384.436 0.879 0 40 GCAB O=C(CN1CCCC1=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12187046 WTAPVWZOZCKHEB-UHFFFAOYSA-N 384.436 0.372 0 40 GCAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCN(CC(=O)N(C)C)CC1 24677991 BFZIJHGCJLUYCT-LBPRGKRZSA-N 381.502 0.270 0 40 GCAB COc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 49216861 RJOKMIRNMDFNMH-NSHDSACASA-N 383.401 0.938 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1 70840754 UGULIKMDSIDQTI-UHFFFAOYSA-N 387.408 0.141 0 40 GCAB O=C(NCc1cccc(=O)[nH]1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 95458599 FJWYTOCAFQNXLP-HUUCEWRRSA-N 375.425 0.973 0 40 GCAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 95477972 WNPALWGQMYJISV-HUUCEWRRSA-N 393.465 0.437 0 40 GCAB O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccccc1Cl 96025223 MAQBFUALAPTGID-UHFFFAOYSA-N 380.817 0.456 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCC1CCOCC1 96221132 WLVVYFILLAQGFK-AWEZNQCLSA-N 389.408 0.769 0 40 GCAB biogenic O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1ccc(Br)o1 225795053 GKPFXMXXIDSIEK-UHFFFAOYSA-N 379.170 0.870 0 40 GCAB CC(C)c1cc(C(=O)N2CCOC[C@@](O)(CNC(=O)c3ccccn3)C2)[nH]n1 257282836 OVMPCRWKNIZSRI-LJQANCHMSA-N 387.440 0.562 0 40 GCAB CN(C)CCn1nc2n(c(=O)c1=O)CCC21CCN(Cc2ccccn2)CC1 306130154 IXRSPMVILPTMIS-UHFFFAOYSA-N 384.484 0.299 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)n2cccn2)C1=O 575612988 DZCDFGBEXSBPDX-NSHDSACASA-N 383.455 0.941 0 40 GCAB COc1nn(C)cc1C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888906871 WZOVOPRCWUILAR-TXEJJXNPSA-N 382.428 0.314 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 2055830503 VDXNRHOMMWUFSE-CQSZACIVSA-N 384.487 0.332 0 40 GCAB Cn1c2c(c(=O)n(C)c1=O)[C@](NC(=O)c1cccs1)(C(F)(F)F)C(=O)N2 2383677 FHRAYYDXTXCCMF-CYBMUJFWSA-N 388.327 0.285 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(N)=O)n2N)c1 2660588 PBXUZSGFQXYLNT-UHFFFAOYSA-N 384.487 0.267 0 40 GCAB CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 4184809 VTRSMHGNZJLUOF-UHFFFAOYSA-N 376.456 0.313 0 40 GCAB CCn1cc(C(=O)NCC(=O)NC(C)(C)CO)c(=O)c2cc3c(cc21)OCO3 6760663 XXGAOZPZKYUOHC-UHFFFAOYSA-N 389.408 0.367 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1 9909963 HUNNSHMFZMWOOZ-UHFFFAOYSA-N 382.829 0.680 0 40 GCAB Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12 11867572 DLSPEGRJURWCRI-CYBMUJFWSA-N 391.380 0.367 0 40 GCAB biogenic CCOC(=O)c1ccoc1COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 12920204 VBNLFDOVLULYCB-UHFFFAOYSA-N 380.378 0.997 0 40 GCAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@@H]1CCS(=O)(=O)C1 13268265 URTSDFJZMXWIJE-CQSZACIVSA-N 385.449 0.885 0 40 GCAB Cn1c(NCCCO)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 13739049 VXFZLLYIKPYJPJ-UHFFFAOYSA-N 377.832 0.930 0 40 GCAB CCCNC(=O)[C@H](C)NC(=O)CSc1nnnn1-c1ccccc1OC 14016451 ASJUYDDOVUOQAK-NSHDSACASA-N 378.458 0.794 0 40 GCAB C[C@H]1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 16050579 DAKZFJKRUOIDBK-WNJITKBNSA-N 396.465 0.756 0 40 GCAB Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 19716342 MYQMZWODRHDGGU-AWEZNQCLSA-N 389.456 0.017 0 40 GCAB COCCNC(=O)CN1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19740910 WNUWKIZOCNIWEB-OAHLLOKOSA-N 375.473 0.984 0 40 GCAB COCC(=O)N1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19762787 CFQWAOCOWYLEML-SFHVURJKSA-N 387.436 0.845 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1-n1cnnn1 20726921 PGZNGIBQWPZCIS-SECBINFHSA-N 386.231 0.342 0 40 GCAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCS(=O)(=O)C1 23013824 GQVUPGJZSYGDRD-GFCCVEGCSA-N 382.438 0.680 0 40 GCAB CCNC(=O)CN1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)CC1 23058254 VGZOXNSMCOGCHD-UHFFFAOYSA-N 382.486 0.396 0 40 GCAB CCOC(=O)N1CCC(NC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 37171453 JITCPKYOFXMNQF-UHFFFAOYSA-N 376.479 0.331 0 40 GCAB CC[C@H]1CN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)CCO1 60350254 WYEZVYLDOXPMBK-LBPRGKRZSA-N 397.453 0.482 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1 78967548 ZZSGSPANWPJRQB-UHFFFAOYSA-N 378.447 0.093 0 40 GCAB COC(=O)CS(=O)(=O)C1CCN(C(=O)NCc2ccc(OC)cc2)CC1 96099686 DPSLCQKKFONPNZ-UHFFFAOYSA-N 384.454 0.957 0 40 GCAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@H](n2nccn2)C1 244955794 GAAZEMNPFNGDOD-OAHLLOKOSA-N 391.453 0.386 0 40 GCAB COCCn1ccc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@@H]2C)n1 585096877 BVEURCAMUNTFSD-HNNXBMFYSA-N 398.467 0.884 0 40 GCAB CN(C)CCOc1ccc(CN2CC[C@](O)(CN3CCN(C)CC3)C2)cc1 585272866 NGVSDHTZPXJYNS-NRFANRHFSA-N 376.545 0.811 0 40 GCAB Cc1ccc(=O)n(CC2CN(S(=O)(=O)c3ccc4oc(O)nc4c3)C2)n1 585603378 REDNLUBQHOTHGL-UHFFFAOYSA-N 376.394 0.719 0 40 GCAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)Cn1ccccc1=O)CC2 1141898318 RRTSWXMYYSNWSL-INIZCTEOSA-N 375.469 0.972 0 40 GCAB O=C(Cn1cccnc1=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1141936153 VPNLVJUDNRYMET-UHFFFAOYSA-N 382.420 0.668 0 40 GCAB COc1ccc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 5361060 DDAZTBYJSJMVPK-UHFFFAOYSA-N 376.344 0.325 0 40 GCAB COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 7308493 VVDUSSWCDNQBJM-VIFPVBQESA-N 384.273 0.923 0 40 GCAB O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7723157 UXZWLDXCKRSXHP-UHFFFAOYSA-N 387.458 0.192 0 40 GCAB COC(=O)c1nnn(CC(=O)NC(=O)Nc2c(C)cccc2C)c1C(=O)OC 8592151 IBWCFUWGLCDJDL-UHFFFAOYSA-N 389.368 0.816 0 40 GCAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C(C)C)cc1 23187696 INARHQZCNIYHJU-INIZCTEOSA-N 381.498 0.853 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 35597524 CSZONDFZNBCRHV-UHFFFAOYSA-N 385.442 0.978 0 40 GCAB Cc1nc(CN(Cc2ccc(F)cc2)S(C)(=O)=O)[nH]c(=O)c1CC(=O)O 49468717 RXBJCPJBADFUMB-UHFFFAOYSA-N 383.401 0.806 0 40 GCAB CC(C)CN1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)CC1 49548197 WTODXCZSOJLAIE-UHFFFAOYSA-N 398.467 0.833 0 40 GCAB CC(=O)N1CCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)O)CC1 71282112 AYFLUXSECOYNRN-AWEZNQCLSA-N 391.424 0.651 0 40 GCAB C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cnn(C)c1 78939711 GCCDHKLJZILEBQ-GFCCVEGCSA-N 393.469 0.278 0 40 GCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2nsnc2c1 79493808 DDMWPFKFDJPRGL-LBPRGKRZSA-N 393.469 0.331 0 40 GCAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCC(=O)O 408589037 CRVRVGJRSUTHFN-YCRREMRBSA-N 384.728 0.789 0 40 GCAB COC(=O)c1nc(=NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc[nH]1 596176444 AFGRKBGVVBKPMQ-UHFFFAOYSA-N 378.410 0.179 0 40 GCAB O=C(Cc1cccnc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243160 NQLIPUXMCNMJMG-HNNXBMFYSA-N 394.428 0.055 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(Br)c2)n(C)c1=O 851795 FLGBJPSLVOCWAN-UHFFFAOYSA-N 392.213 0.835 0 40 GCAB biogenic CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 4504866 CHEDHMSRTJFGSB-AWEZNQCLSA-N 386.495 0.730 0 40 GCAB O=C(NCCCN1CCCC1=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850614 JOZYESBKGDGTGO-UHFFFAOYSA-N 384.436 0.589 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O 5515033 ONONMLMFXBFTIS-XQCUEUFKSA-N 377.788 0.835 0 40 GCAB CCCOc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C 10386404 RJVNNWVAPPCGFS-ZDUSSCGKSA-N 388.424 0.960 0 40 GCAB CCCCn1c(=O)c2c(nc3n2CC(C)=NN3CC(=O)OCC)n(C)c1=O 10387006 DLPZVIOAYNWTKC-UHFFFAOYSA-N 376.417 0.456 0 40 GCAB C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)C1=O 12003034 LSWDPXAXVSMPGA-LLVKDONJSA-N 379.438 0.337 0 40 GCAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 14100811 JDIMUABWGIHCRJ-UHFFFAOYSA-N 375.397 0.723 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024767 GHFGMGHRBJKKNY-WGDDSDEBSA-N 388.399 0.222 0 40 GCAB COc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 18002900 JIWGWUMUVDZMND-UHFFFAOYSA-N 388.424 0.957 0 40 GCAB CN(C)c1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 19657601 KXIRTWZVAIZTSW-UHFFFAOYSA-N 388.449 0.803 0 40 GCAB O=C(CCN1C(=O)CCNC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 19660842 QXUYODVMADGUEF-UHFFFAOYSA-N 380.426 0.497 0 40 GCAB CCOc1ccc(N2C[C@H](NC(=O)N3CCN(CCO)CC3)CC2=O)cc1 22664509 QLNNZAHOARXFHN-OAHLLOKOSA-N 376.457 0.510 0 40 GCAB Cc1nc(CCNC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 26864015 TVOMGDLIYNSSRE-UHFFFAOYSA-N 390.469 0.338 0 40 GCAB COc1ccc(OC)c(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 40086681 MHXVUWQUPKBCGU-UONOGXRCSA-N 396.465 0.356 0 40 GCAB CN1CCN(C(=O)[C@@H]2CCC[C@@H](NC3CCOCC3)CN(C)C(=O)C2)CC1 96113393 FJKMLMWCJJSUDF-SJLPKXTDSA-N 380.533 0.546 0 40 GCAB biogenic,in-vitro COc1nccnc1O[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1 225388678 HPQILTZJCIEDNR-DZGCQCFKSA-N 390.440 0.492 0 40 GCAB COCCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225900720 NIQMXOXZMPWDDL-UHFFFAOYSA-N 396.517 0.473 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)c1 2055718132 XOXIPZNVAOUMKY-NWANDNLSSA-N 391.453 0.622 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)c2sccc2C)CC1 2055746074 HMJBNTWBBGCLDW-UHFFFAOYSA-N 397.526 0.593 0 40 GCAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1 2631572 HZCJMYBXSIIEAX-UHFFFAOYSA-N 396.465 0.923 0 40 GCAB CCCCCCSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O 3874926 HXJDWCWJDCOHDG-VXGBXAGGSA-N 391.490 0.178 0 40 GCAB in-vivo,metabolite COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)CC2=O)cc1 4084384 YFEZOAPEIMTQOE-SRVKXCTJSA-N 377.397 0.142 0 40 GCAB biogenic C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 4249311 QGQZPDJXRYUODM-LBPRGKRZSA-N 382.424 0.038 0 40 GCAB COC(=O)C1=C(C(=O)OC)N2C=CC=C[C@@]2(C)C(C(=O)OC)=C1C(=O)OC 4666843 MVLRFVJPKWICQX-SFHVURJKSA-N 377.349 0.387 0 40 GCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)C1=O 8236303 PXZQMKCDPJAKEU-UHFFFAOYSA-N 375.337 0.074 0 40 GCAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 9516270 QOYREDHJWIZQBV-QGZVFWFLSA-N 396.415 0.416 0 40 GCAB CC(=O)N1CC2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)Nc2ccccc21 12086148 OPTYUFNCFMWDLF-UHFFFAOYSA-N 397.435 0.376 0 40 GCAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)Cn4ccc(=O)[nH]c4=O)C[C@@H]32)c1 12121152 XYWUVZMUXRNAGG-PSGMQZRDSA-N 385.420 0.301 0 40 GCAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12925770 BOOVBZWUGKNJPY-WFASDCNBSA-N 399.900 0.945 0 40 GCAB CN(C)C(=S)S[C@H]1O[C@H](CO)[C@@H](SC(=S)N(C)C)O[C@H]1CO 17044489 NSWFKRMBCOWTSI-UTINFBMNSA-N 386.586 0.567 0 40 GCAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1Cl 19991844 GFXZTTBYLFQCKQ-UHFFFAOYSA-N 389.905 0.863 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)CN(C)C(=O)c3ccco3)CC2)no1 32907428 LQPDKHKZQGYXAJ-UHFFFAOYSA-N 389.412 0.431 0 40 GCAB C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 44402084 OJZFBNOAGDMBPR-TZMCWYRMSA-N 388.511 0.939 0 40 GCAB CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@@]2(CC(=O)N(C)C2)C1 96036107 VBIKOGVZWNEOJP-IBGZPJMESA-N 375.473 0.749 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 96099650 CWKMOLJMDDDCLP-UHFFFAOYSA-N 390.425 0.877 0 40 GCAB COc1ccccc1CC(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124261 DYHDNVWUYVARDF-UHFFFAOYSA-N 379.424 0.957 0 40 GCAB COC(=O)CCC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1 96147014 AFUQEXIZUMSHNX-UHFFFAOYSA-N 381.454 0.496 0 40 GCAB COc1nccnc1O[C@H]1CCN(S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 225391326 OYYRZBPZSISCAD-JTQLQIEISA-N 392.393 0.762 0 40 GCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccccn4)C3)C2=O)o1 225398104 BXTWAMJEMRAYGZ-AEFFLSMTSA-N 396.447 0.542 0 40 GCAB biogenic,in-vitro Nc1nc(N)c2c(n1)O[C@@]1(CCN(C(=O)c3ccccc3OCC(=O)O)C1)C2 257274828 NMUUHWSYBMTKSN-SFHVURJKSA-N 385.380 0.324 0 40 GCAB Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1[C@@H]3C(=O)N(C(C)C)C[C@@]34C=C[C@H]1O4)CC2 257286523 PLXGPRDBKYTBFE-ASKKUZCQSA-N 384.436 0.566 0 40 GCAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1 260840500 VTCCJXRXUHWVLG-SJKOYZFVSA-N 382.438 0.991 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(N(C)C)n1 575606693 KYDNIWVANZUZRW-UHFFFAOYSA-N 394.457 0.253 0 40 GCAB Cn1cnc2c1c(=O)n(Cc1nc(C3(c4ccncc4)CCC3)no1)c(=O)n2C 656032815 RPYYLQOMZCXJQM-UHFFFAOYSA-N 393.407 0.730 0 40 GCAB CC1CCC(C(=O)N2CCO[C@@]3(COCCN(CC(=O)N(C)C)C3)C2)CC1 1565551892 UKOZIHCZIFDVOM-LBXVMSDZSA-N 381.517 0.831 0 40 GCAB Cc1cc2c(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nccn2n1 1889149399 QEULZNCWTCPYAM-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc(F)c(F)c2)n(C)c1=O 5361004 KKTFJEAFXOOLBD-UHFFFAOYSA-N 392.318 0.138 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 5735233 YRPZAIPEKKIIRI-UHFFFAOYSA-N 383.426 0.426 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCCSCc1ccsc1)c(=O)n2C 8778715 LQQCPBQWZGYOJO-UHFFFAOYSA-N 393.494 0.545 0 40 GCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCN1C(=O)NC2(CCCC2)C1=O 10425267 QXPCCGUFAFQJNL-UHFFFAOYSA-N 397.435 0.837 0 40 GCAB Cc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n2ncnc2n1 12981166 VGAVRDOHJDTBDN-UHFFFAOYSA-N 377.430 0.548 0 40 GCAB CC(=O)N1CCN(C(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)CC1 15858579 VXVQHZWWSOSSGM-UHFFFAOYSA-N 393.465 0.694 0 40 GCAB CC[C@H](C)[C@@H](NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(=O)OC 21925270 KQAKGWPIEYUJTQ-QPUJVOFHSA-N 391.346 0.670 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)sc1C 24751895 PPWGSDFTPXLASX-GFCCVEGCSA-N 394.540 0.679 0 40 GCAB COc1cc(C)c(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1OC 32743344 AXAOIYLADMXACR-HZPDHXFCSA-N 384.498 0.288 0 40 GCAB CCN(CC(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccc2c(c1)OCCO2 40067008 BPJVOPKNWJAYSC-UHFFFAOYSA-N 397.497 0.384 0 40 GCAB CC(C)[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)N1CCSCC1 72403184 GLLOFPDJRGOPLJ-HNNXBMFYSA-N 392.529 0.908 0 40 GCAB NC(=O)C1CCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 77100424 UGKWQSGTSGKLEC-UHFFFAOYSA-N 384.318 0.898 0 40 GCAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643555400 PSTRQSCEEWVZDO-RBOXIYTFSA-N 391.424 0.298 0 40 GCAB CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)[C@@]3(CCOC3)C2)cc1 1615590133 JXTAQALZEMQJDF-SFHVURJKSA-N 381.498 0.460 0 40 GCAB CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]2COc3ccccc3[C@@H]21 1772595974 WTMIBVMXUUALGU-VYDXJSESSA-N 379.482 0.402 0 40 GCAB Cc1ccnc(N2C[C@@H]3CN(C(=O)[C@H]4CC(=O)N(C5CCOCC5)C4)C[C@H]3C2)n1 1888849966 YNDWRAXFHXWLQR-ULQDDVLXSA-N 399.495 0.707 0 40 GCAB COCCn1cnc2c(N3CCN(c4ncnc5[nH]cnc45)CC3)ncnc21 1888941638 OXUJAASVMUFQGT-UHFFFAOYSA-N 380.416 0.466 0 40 GCAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc3n(N)cnn13)OCO2 3622758 KCSCNVFTTMHCGY-UHFFFAOYSA-N 375.370 0.302 0 40 GCAB COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 3831071 RJQXTJLFIWVMTO-LALPHHSUSA-N 380.422 0.949 0 40 GCAB biogenic CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 5283622 WJVSUUOYTGGIPB-NLDJYOPPSA-N 385.372 0.948 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1C(N)=O 12734442 YRYDAMRMOZONHM-ZDUSSCGKSA-N 380.470 0.313 0 40 GCAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cn1 12823283 KJRIPBGEQCLIDU-UHFFFAOYSA-N 390.421 0.463 0 40 GCAB CCCCN(C(=O)Cn1c(C)csc1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 12882112 MERXCAVGVTZILO-UHFFFAOYSA-N 395.485 0.894 0 40 GCAB Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCOCC1 16976250 OGVVPGPFOWVSDQ-UHFFFAOYSA-N 393.421 0.938 0 40 GCAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 19766996 CNPLNFATLFCMSY-OAHLLOKOSA-N 397.501 0.591 0 40 GCAB CN(Cc1ccccc1F)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 21196726 ABXODZZHYMNBGM-ZDUSSCGKSA-N 381.429 0.950 0 40 GCAB CC(C)C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)N1CCOCC1 22970210 IVFZMMZDBVJQIQ-KXBFYZLASA-N 380.489 0.570 0 40 GCAB CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21 31477280 XJMWDVLBPAAXPW-FRJWGUMJSA-N 399.300 0.534 0 40 GCAB in-vitro O=C(CN1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1)N1CCCC1 32240722 VILHKXLDOVXQML-QGZVFWFLSA-N 386.500 0.460 0 40 GCAB CC(C)Cc1ccc([C@H](C)C(=O)O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 44021004 ABOLXXZAJIAUGR-OEFFRSRVSA-N 382.409 0.424 0 40 GCAB in-vitro Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1C 58183811 PLAPRCMRNOHLMI-UHFFFAOYSA-N 375.450 0.997 0 40 GCAB C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2NC1=O 58440854 RGJUIFYKMXCDCP-JQWIXIFHSA-N 382.442 0.952 0 40 GCAB CCN1CCN(c2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(O)nc3n2)CC1 67262771 KLWPOFKOMWTBRL-UHFFFAOYSA-N 396.407 0.752 0 40 GCAB O=S(=O)(c1ccccn1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 96000502 SNFJOWHOOSOMHN-UHFFFAOYSA-N 379.463 0.847 0 40 GCAB CNC(=O)[C@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@]23C=C[C@]1(C)O3 100466373 XDZKHRZZZUCGTG-XRSMLWNUSA-N 387.480 0.884 0 40 GCAB CC(=O)NCc1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 101572601 CLPIUSSYKFZUDI-APYUEPQZSA-N 387.461 0.921 0 40 GCAB O=c1c(NCCCN2CCOCC2)c(N2CCN(c3ccccn3)CC2)c1=O 101710306 ISUUHGGJBLKELY-UHFFFAOYSA-N 385.468 0.138 0 40 GCAB CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CS(=O)(=O)C[C@H]1O 217368952 SHTDXSWXSHAZDJ-ZIAGYGMSSA-N 376.475 0.299 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)cc1 225420771 UYLZSNUAYQWRPN-CYBMUJFWSA-N 378.410 0.183 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@]1(CCN(Cc3nccs3)C1)CC2 306142291 WVMGTRLUOUZHKJ-LJQANCHMSA-N 396.476 0.852 0 40 GCAB CN(CCN(C)c1ccc(S(=O)(=O)N2CCOCC2)cn1)CC(F)F 585079888 BSJSCGNQEUWNFI-UHFFFAOYSA-N 378.445 0.736 0 40 GCAB Cc1ccc(=O)n(CC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 585603474 WGJHVONMHYAGAT-UHFFFAOYSA-N 377.422 0.644 0 40 GCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc2ccccc2n(C)c1=O 661224341 MWCKNSWMVBHKHN-UKRRQHHQSA-N 379.438 0.150 0 40 GCAB COCc1nsc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 750018448 NTIKADRHNVFQRT-UHFFFAOYSA-N 379.467 0.956 0 40 GCAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 1325223 IBAFZHTYRBQXFQ-NSHDSACASA-N 376.456 0.422 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 2498926 RBNFEEQPKGQFRP-LBPRGKRZSA-N 398.485 0.221 0 40 GCAB CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O 4974691 UNTYIYCXVYMWKI-HBNTYKKESA-N 380.275 0.338 0 40 GCAB CN(C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 7141454 GAPRWBZWIZOQDI-LQPUYASZSA-N 381.406 0.617 0 40 GCAB CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 8299088 SPBKBDMODIUIFB-XHSDSOJGSA-N 376.505 0.538 0 40 GCAB biogenic,in-vitro COc1ccc(CCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 12531214 MXRDRUZUULLUFV-UHFFFAOYSA-N 399.451 0.522 0 40 GCAB CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 16839407 YEIFZLJTALLWAS-VIFPVBQESA-N 379.804 0.558 0 40 GCAB O=C1NC[C@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Oc2ccccc21 19374701 SHFQVZDQHYFVHV-HXUWFJFHSA-N 387.436 0.419 0 40 GCAB COc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1F 23256946 QEUKRGBOXZAIPL-HNNXBMFYSA-N 399.488 0.255 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cn(-c2cccc(Br)c2)nn1 32816384 PMNNESQUGWWHHM-JTQLQIEISA-N 385.243 0.947 0 40 GCAB O=C(NCCNC(=O)c1ccco1)c1cccc(S(=O)(=O)NC2CC2)c1 32908627 KIZIZVRNOKQBGK-UHFFFAOYSA-N 377.422 0.880 0 40 GCAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)C2CC2)CC1 32908663 PXSAJPWDUGHWOF-UHFFFAOYSA-N 390.465 0.242 0 40 GCAB CN(C)C1(CNC(=O)c2nc(CC(=O)N3CCOCC3)no2)CCCCC1 49547559 NFGDCHMYVSFHBS-UHFFFAOYSA-N 379.461 0.465 0 40 GCAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 57611378 IJKPKZGMVXHRDM-CQSZACIVSA-N 385.511 0.596 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C)[C@@H](O)[C@H]2O1 225515038 DRWXKPWLIHMQNK-PNDFQMOFSA-N 378.469 0.523 0 40 GCAB biogenic,in-vitro CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cncc(C)c2)[C@@H](O)[C@@H]1O 257222439 DTHOIVXSVHLOFH-RRCSTGOVSA-N 397.439 0.427 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)C3CCNCC3)CC2)CC1 257234843 GVIIPYOZOJWPAI-HXUWFJFHSA-N 380.533 0.330 0 40 GCAB Cc1nc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(CCF)S4(=O)=O)O3)cs1 2055844893 MJWCVQRMIUINCY-OSMZGAPFSA-N 375.447 0.419 0 40 GCAB CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)cccc12 2384902 AMOCBWNWZULALT-ZDUSSCGKSA-N 379.438 0.903 0 40 GCAB Cc1c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)n(C)c(=O)n1C 4271552 LYDOPMNBILSABJ-UHFFFAOYSA-N 396.444 0.042 0 40 GCAB CC1=NN(CC(=O)c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147965 AYQBOSLPKJUJMR-UHFFFAOYSA-N 384.371 0.652 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 7216663 GACVLXADMCOEAC-AWEZNQCLSA-N 388.511 0.617 0 40 GCAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 7990753 BHANGLVNXHGQRN-KRWDZBQOSA-N 398.448 0.987 0 40 GCAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)C3=NNC(=O)CC3)C1)CNC2=O 12086776 PETVFQHPFYKUMW-IBGZPJMESA-N 386.408 0.445 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(N)=O)n2N)c1 20894681 JBGTXIDVCYLKSH-SNVBAGLBSA-N 398.514 0.655 0 40 GCAB CCn1c(N2CCN(C(=S)NC)CC2)nc2cc3c(cc2c1=O)OCCO3 28558562 YTRMOARDWQNKEE-UHFFFAOYSA-N 389.481 0.814 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CN(C)c2cnccn2)c1 30842856 GLRXAXMOKMVBRZ-UHFFFAOYSA-N 377.470 0.624 0 40 GCAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCC(C(N)=O)CC2)c1=O 32071145 VEJOVVPVHSNLRK-UHFFFAOYSA-N 378.454 0.359 0 40 GCAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cnccc2O)c2ccccc2)CC1 49550107 YGDKWQDLFZEJNX-KRWDZBQOSA-N 383.452 0.831 0 40 GCAB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 57369653 JLOYTZPZROZBLP-LBPRGKRZSA-N 391.449 0.857 0 40 GCAB COCc1cc(=O)n(CC(=O)NC2CCC(C)CC2)c(N2CCOCC2)n1 67319501 YSIRUKJVPPGOCW-UHFFFAOYSA-N 378.473 0.921 0 40 GCAB O=C(c1cn2ccccc2n1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998813 PKPVQBYZWPWHIK-AWEZNQCLSA-N 378.454 0.601 0 40 GCAB CCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 102161674 PDSKBUAUOWCIII-DRRXZNNHSA-N 389.401 0.069 0 40 GCAB COc1cccc(NC(=O)N2CCN(S(C)(=O)=O)C[C@]3(CNC(=O)C3)C2)c1 105834628 LVLVINLHDLMTIN-QGZVFWFLSA-N 396.469 0.311 0 40 GCAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(=O)n(C)n1 206799821 RFGFQLUUJNAYNN-RISCZKNCSA-N 375.356 0.755 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](CO)[C@@H](O)[C@H]1OC(C)=O 253476002 FRTSLPFLUVGQPA-UJMXGEILSA-N 389.404 0.733 0 40 GCAB CN(C)c1nc(CNC(=O)CCn2cnc3ccccc3c2=O)nc(N(C)C)n1 575605728 DWABRFWWXZNZON-UHFFFAOYSA-N 396.455 0.420 0 40 GCAB Cn1cnnc1[C@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1558164473 GQWFJJBLKXKERD-GXTWGEPZSA-N 385.428 0.322 0 40 GCAB Cn1c(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)cccc1=O 1565547046 JSRNSRUQFDDLPH-CWRNSKLLSA-N 375.425 0.559 0 40 GCAB Cc1c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c(C)c(O)ccc12 2157050 LKODZTQYHDBBBL-UHFFFAOYSA-N 376.365 0.365 0 40 GCAB biogenic NC(=O)NC(=O)COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3379099 ZATGSSUFWJYBGM-ZBEGNZNMSA-N 381.385 0.454 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1 5044077 BFCSYZIKYPOOCW-GFCCVEGCSA-N 383.857 0.647 0 40 GCAB CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCOCC)c(=O)n1C 5148172 FUYWXYIEAFXLBW-UHFFFAOYSA-N 378.433 0.166 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)c1 5938620 GAGAYXZLZPSRDQ-OAHLLOKOSA-N 392.389 0.656 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)NCCCCOc2ccccc2)n(C)c1=O 9115028 RLISSOPKUWPUSN-UHFFFAOYSA-N 399.451 0.799 0 40 GCAB CS(=O)(=O)c1ccc2nc(NC(=O)CCn3[nH]c(=O)ccc3=O)sc2c1 9223827 QRVRMESTCJHLIP-UHFFFAOYSA-N 394.434 0.579 0 40 GCAB CC(=O)N1CCc2cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)ccc21 12772196 IUDSSRZJXPIPSI-UHFFFAOYSA-N 380.470 0.111 0 40 GCAB CCn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccsc2c1=O 12825359 LDSKKRMCQRYLJN-VIFPVBQESA-N 387.508 0.873 0 40 GCAB C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C(=O)c2ccccc2)CC1 14320667 VUZNMYCJLWSBTQ-ZDUSSCGKSA-N 398.463 0.832 0 40 GCAB COCCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614121 RBXRDUSJFIENIB-HNNXBMFYSA-N 393.440 0.058 0 40 GCAB Cc1nc(CN2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)cs1 31260987 VVKWEWNNNOBICR-UHFFFAOYSA-N 377.470 0.414 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nccs1 32089069 ABPSSMXUGQVLJN-GFCCVEGCSA-N 380.451 0.661 0 40 GCAB CCN1C(=O)C(=O)N(CN2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 32803785 OTIFZTHRTCTWOL-UHFFFAOYSA-N 394.453 0.458 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccn2)cc1 36365790 SXKHHVJLBSENPH-HNNXBMFYSA-N 388.449 0.908 0 40 GCAB CO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O 44171406 MCFYIRSCNBGQBD-XWXWGSFUSA-N 385.380 0.344 0 40 GCAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 48229678 ALNAMKKYQNHVIY-CQSZACIVSA-N 395.423 0.722 0 40 GCAB CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321240 RFAWELXPMWDUHG-SJLPKXTDSA-N 391.449 0.914 0 40 GCAB biogenic,in-vitro CN(C)c1ccc([C@H](O)CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 90611918 ZFICQMKSNXZJRP-MRXNPFEDSA-N 385.420 0.947 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)C1(O)CCSCC1)[C@H]1CCS(=O)(=O)C1 95451099 DNHKKKUTEAPPFM-NEPJUHHUSA-N 379.500 0.212 0 40 GCAB Cn1nnnc1SCC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 245015138 LNTCMRXMMYEHPK-UHFFFAOYSA-N 391.844 0.548 0 40 GCAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257297297 RGRHXWXHYHDTFG-OAHLLOKOSA-N 377.470 0.089 0 40 GCAB CN1CCN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4ncccn4)C2)COC3)CC1 306134140 NEFKBNPGXQASLR-HXUWFJFHSA-N 395.467 0.333 0 40 GCAB O=C(O)CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423742 QXPOQKCAXAZJST-LSDHHAIUSA-N 399.446 0.073 0 40 GCAB CC(C)NC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)CC3(O)CCC3)C1)OC2 1565554665 XDFWLJIDUCBORA-SFHVURJKSA-N 377.445 0.223 0 40 GCAB Cc1nc(N2C[C@@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@H]3C2)c2cnn(C)c2n1 1888879209 NFDGWEZIXOVVMR-RYUDHWBXSA-N 382.428 0.044 0 40 GCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccc(C)o1)CCN(S(C)(=O)=O)C2 2055796200 OSPDMPDKGYKRON-QGZVFWFLSA-N 383.470 0.544 0 40 GCAB CCn1cc(CN2CCO[C@@]3(COCCN(S(=O)(=O)C4CC4)C3)C2)cn1 2055812551 WXJBPUVHXUKXMN-KRWDZBQOSA-N 384.502 0.298 0 40 GCAB O=C(CC1CCOCC1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242981 RVOSRTDLAYLQTO-INIZCTEOSA-N 386.514 0.294 0 40 GCAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 2137169 IQMDYYCVZOKLKD-LLVKDONJSA-N 390.392 0.748 0 40 GCAB biogenic Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1 3428038 MCSXATIRPRXENC-UHFFFAOYSA-N 396.407 0.995 0 40 GCAB Cc1ccc(C)c(Cn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 4386766 GFJZQAKAWPCLOB-UHFFFAOYSA-N 382.468 0.840 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O 5084195 OCMZWYZRIGRSNW-UHFFFAOYSA-N 399.407 0.620 0 40 GCAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 8943608 ODNIJZSDJRYCMK-KBXCAEBGSA-N 393.465 0.537 0 40 GCAB C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)c(F)c1 12579042 YOIPIWMJCUMULP-SECBINFHSA-N 377.351 0.589 0 40 GCAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12944828 HRWIFCKCIXGLJF-MFKMUULPSA-N 383.426 0.368 0 40 GCAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1 13633244 DGONHCJMQXETJR-UHFFFAOYSA-N 399.513 0.544 0 40 GCAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CC(=O)N(C)C3)ncc2C1 19018158 ZNQMXBUWYGICHQ-RHSMWYFYSA-N 385.468 0.913 0 40 GCAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 22056481 GOKGCZDZMSJICV-GJZGRUSLSA-N 390.527 0.611 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 36813713 KPCNENIYXUKOBR-AWEZNQCLSA-N 396.513 0.267 0 40 GCAB O=C1OCC[C@@H]1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 37187818 MAKSSPUZODSUTF-AWEZNQCLSA-N 382.438 0.470 0 40 GCAB CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 72332861 MXPKDWCRJAGSTO-DSGMTPGBSA-N 393.524 0.630 0 40 GCAB CS[C@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@H]1N(C)C 89314148 LPGTXXJKVXRSNJ-NEPJUHHUSA-N 378.541 0.756 0 40 GCAB CN(CC(=O)NC1CC1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 95999865 BZXXLDLDHMLQOE-INIZCTEOSA-N 379.482 0.831 0 40 GCAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O 96036447 POIBRQNTVIFHLS-GOSISDBHSA-N 393.513 0.577 0 40 GCAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cnccn1)C2 96050161 GZDVWLYAJIBLFD-FQEVSTJZSA-N 379.420 0.957 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nc3ccccc3o2)CC1 96122613 CDUHZVIRSJNLIB-AWEZNQCLSA-N 378.454 0.900 0 40 GCAB CCOc1ccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 96936884 KRWUACMLMGTMNU-UHFFFAOYSA-N 390.484 0.500 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)NCCSc2nc(C)n[nH]2)ccc1OC 222912926 ONBRZMPSKNLOKZ-UHFFFAOYSA-N 399.498 0.942 0 40 GCAB Cc1ccccc1OCC(=O)N1Cc2cncn2[C@@H](CNS(C)(=O)=O)C1 247999175 CJVMGSUITKFJCT-HNNXBMFYSA-N 378.454 0.703 0 40 GCAB Cc1ccc(C2=NN[C@H]([C@](C)(O)[C@](C)(O)[C@@](C)(O)[C@@](C)(O)CO)S2)cc1 248091193 MMIZAZUVAUSVMY-ATIWLJMLSA-N 384.498 0.315 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 260902614 UFOCDGCUJMGRLG-HNNXBMFYSA-N 396.513 0.980 0 40 GCAB CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)C1 273674421 JWSLZQRINFVDQD-UKRRQHHQSA-N 395.481 0.839 0 40 GCAB COc1ccc(C(=O)NCCO)cc1S(=O)(=O)NCCc1ccccc1 408713694 NLVPZFBAEZPXKV-UHFFFAOYSA-N 378.450 0.938 0 40 GCAB CC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@H](CO)C1 585282566 HBDXIZWHOLIZII-KRWDZBQOSA-N 379.476 0.930 0 40 GCAB CN1C(=O)CN(C2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)C1=O 675008284 NZAJZGJTYSIWJH-UHFFFAOYSA-N 397.435 0.672 0 40 GCAB CNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNC)cc2)cc1 1580995 CPLKAMPBYFFBSY-UHFFFAOYSA-N 390.465 0.835 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 6176007 WFLLATULQFUZIG-SNVBAGLBSA-N 377.260 0.975 0 40 GCAB CCOC(=O)C(NC(=O)c1nn(CC)c(=O)c2ccccc12)C(=O)OCC 9725736 DGOZGXZTERETBU-UHFFFAOYSA-N 375.381 0.641 0 40 GCAB C[C@H](NC(=O)c1cncnc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366239 QYELAXANJUJXKY-YOEHRIQHSA-N 383.452 0.946 0 40 GCAB Cn1c(=O)c2cc(C(=O)NCCCOCc3ccccc3)cnc2n(C)c1=O 25680992 HOSIDIRSMSVAEZ-UHFFFAOYSA-N 382.420 0.969 0 40 GCAB CCOc1ccc(NC(=O)Cc2c(Cl)nc3n(C)c(=O)n(C)c(=O)n23)cc1 28527227 RRMXGFQVFQQRBT-UHFFFAOYSA-N 391.815 0.965 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1cccnc1 31820082 GSJKDOVNLNZGRJ-MRXNPFEDSA-N 388.449 0.277 0 40 GCAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(=O)[nH]c1 32992708 BFEUWLKNNVEBGL-UHFFFAOYSA-N 381.385 0.787 0 40 GCAB COc1ccc(NC(=O)C(=O)NCCCO)cc1N1CCCCS1(=O)=O 36354278 GYWBQKWXLPOJOB-UHFFFAOYSA-N 385.442 0.062 0 40 GCAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H]2CCS(=O)(=O)C2)n1 40267971 OOWXRMXFDXVOOV-LBPRGKRZSA-N 395.412 0.361 0 40 GCAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1 78752258 WUZURZKHWPHPPU-ZIAGYGMSSA-N 376.413 0.070 0 40 GCAB Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 79488295 PQEVJNNCBONHQZ-AWEZNQCLSA-N 389.477 0.483 0 40 GCAB O=C(Nc1ncnc2nc[nH]c12)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96123984 IEWNFKVWNLDDMP-UHFFFAOYSA-N 391.399 0.579 0 40 GCAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H](C(N)=O)[C@@H]2C(N)=O)cc1 96318966 FDRDLEDRBRPMKE-BBBLOLIVSA-N 393.446 0.416 0 40 GCAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCSc1ncn[nH]1 222813939 RRIJMIKVUNJRHE-UHFFFAOYSA-N 399.498 0.651 0 40 GCAB O=C(CO[C@H]1CCOC2(C1)CN(S(=O)(=O)C(F)(F)F)C2)N1CCCC1 575406643 ZFRMGDAGZVTQFP-NSHDSACASA-N 386.392 0.708 0 40 GCAB C[C@@H](C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)n1ccc(C(F)(F)F)n1 633552903 HNWVNUUQHHANFW-GWCFXTLKSA-N 381.376 0.879 0 40 GCAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)o1 1547139714 YQJMYYXNGNLFOC-LBPRGKRZSA-N 385.438 0.395 0 40 GCAB biogenic O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)NC[C@@H]1CCCO1 1547201278 VSYVSXPDQOOXDF-ZDUSSCGKSA-N 391.815 0.982 0 40 GCAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCO2 1565549682 ZHXVLBWYAYRWKD-SFHVURJKSA-N 399.513 0.920 0 40 GCAB Nc1cc(N)nc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 3510247 ITKBUVVPLJIAKT-UHFFFAOYSA-N 376.398 0.853 0 40 GCAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C 4249446 DELSUEBEAOWKEQ-LLVKDONJSA-N 398.423 0.178 0 40 GCAB Cc1ccc(Cn2c(=O)c3c(nc(N4CCN(C)CC4)n3C)n(C)c2=O)cc1 4318031 SVWIDXGPYOMARM-UHFFFAOYSA-N 382.468 0.542 0 40 GCAB C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 5251905 MZWVNJHSSTTZFF-LBPRGKRZSA-N 383.408 0.638 0 40 GCAB COc1ccc(S(=O)(=O)NCCCN(C)C)cc1N(C)S(C)(=O)=O 5554043 LFBNATNAAJDODX-UHFFFAOYSA-N 379.504 0.321 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 6841766 FKEYUOJLMDDZBU-UHFFFAOYSA-N 397.453 0.585 0 40 GCAB COc1ccccc1N1CCN(C(=O)Cc2nc3[nH]c(C)cc(=O)n3n2)CC1 9061257 VPXYKWXKKJPJSZ-UHFFFAOYSA-N 382.424 0.626 0 40 GCAB CNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 9153876 XCIKQKWUGILFMH-UHFFFAOYSA-N 393.509 0.828 0 40 GCAB Cc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n(C)n1 11555653 LJOADTBMVDDUEO-UHFFFAOYSA-N 392.393 0.055 0 40 GCAB CN(CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 19655122 AZNCMNBSDWVKEW-OAHLLOKOSA-N 392.481 0.405 0 40 GCAB COc1cc(C(=O)N(C)CC(=O)N2CCCC2)cc(OC)c1OCC(N)=O 23242475 GBLLQSXDGMKZCC-UHFFFAOYSA-N 379.413 0.262 0 40 GCAB Cn1nc(C(=O)NCCN2CCOCC2)c(F)c1NC(=O)c1ccccc1 41070573 ANTAVEQTEGETTK-UHFFFAOYSA-N 375.404 0.874 0 40 GCAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2nnc3n2CCCCC3)CC1 55528211 LUZRAXNFTZQTQY-DLBZAZTESA-N 390.532 0.806 0 40 GCAB O=C(NCCN1CCN(C(=O)c2ccccc2)CC1)C(=O)NCc1ccccc1 59488499 AWEFRDCBGUKQTD-UHFFFAOYSA-N 394.475 0.877 0 40 GCAB O=C(C1=NN(c2ccccc2)C(=O)CN1)N1CCN(C(=O)N2CCCCC2)CC1 71843969 WJBVIZWRKBCNKM-UHFFFAOYSA-N 398.467 0.686 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nnn(-c2ccc(Br)cc2)n1 77100513 RGNWBBJZKOEHSU-SECBINFHSA-N 386.231 0.342 0 40 GCAB CCOC(=O)NCCC(=O)OCCOCCOC(=O)CCNC(=O)OCC 95949084 QICCNMGUFVHQRM-UHFFFAOYSA-N 392.405 0.362 0 40 GCAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222967408 RUWJUNBDPBGMOZ-CQSZACIVSA-N 399.513 0.830 0 40 GCAB CCOC(=O)N1CCC(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)CC1 253472382 LYKUVFRVWFOXSN-UHFFFAOYSA-N 399.455 0.836 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ccncn3)CC2)CC1 257234782 GVCBZMKTLUMHHJ-IBGZPJMESA-N 375.473 0.434 0 40 GCAB Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1[C@H]3C=C[C@@]4(CN(C(C)C)C(=O)[C@H]14)O3)CC2 257286524 PLXGPRDBKYTBFE-DICRZQGBSA-N 384.436 0.566 0 40 GCAB Cc1nc(C)c(C(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)s1 575608521 YYJCURDAZUKCHH-UHFFFAOYSA-N 377.474 0.778 0 40 GCAB C[C@@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 575615977 MITZUEXUODFBIC-CQSZACIVSA-N 396.513 0.498 0 40 GCAB Cc1nc(N2C[C@H]3CN(c4cc(=O)n(C)c(=O)n4C)C[C@@H]3C2)c2ccncc2n1 1888879664 OFTWTLQNJTWJLD-ZIAGYGMSSA-N 393.451 0.303 0 40 GCAB CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 1090450 GRFSLJQQJMLSDN-UHFFFAOYSA-N 387.348 0.890 0 40 GCAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C(F)(F)F)N1CCOCCO 1803600 AVCVYQFHLRTFSI-UHFFFAOYSA-N 391.371 0.488 0 40 GCAB C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO 3882039 GFNANZIMVAIWHM-RDAHVJDESA-N 394.439 0.621 0 40 GCAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC)[C@@](C)(O)CC(=O)[C@@H]2C(=O)OC)cc1 4062074 YYAVVEHWOUBCRK-ZTENYAIWSA-N 378.377 0.859 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NC[C@H]3CCCO3)CC2=O)cc1 5322827 ZVLMXTDFRSMHLB-GRDNDAEWSA-N 389.452 0.848 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@H]3C[C@@H]3C)CC2)cc1 12985463 WSBKOAREHNDOFP-BBRMVZONSA-N 395.481 0.300 0 40 GCAB O=C(CCNC(=O)c1cncc(Br)c1)N[C@H]1CCS(=O)(=O)C1 32924826 ZGLXSHQMQFYJFB-NSHDSACASA-N 390.259 0.267 0 40 GCAB CCc1nc2ccccc2c2nn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)n12 72347037 IWIVHNQSSJIMMJ-UHFFFAOYSA-N 382.424 0.331 0 40 GCAB Cc1nccn1CCNC(=O)c1cnc(O)n(Cc2ccc3c(c2)OCO3)c1=O 77099876 UUOXLQPNGSRKFB-UHFFFAOYSA-N 397.391 0.661 0 40 GCAB COc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1OC 224173569 GQWYIVOLABWTQC-UHFFFAOYSA-N 394.453 0.809 0 40 GCAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1 224999216 SLARSWAYVMJCAN-HNNXBMFYSA-N 399.513 0.688 0 40 GCAB C[C@@H]1Oc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc2NC1=O 252498796 RLIDWVJRAFGUQT-LBPRGKRZSA-N 389.437 0.707 0 40 GCAB O=C(Nc1ccc2c(c1)OCCO2)C1CN(c2cc(-n3cncn3)ncn2)C1 575609781 PTIRWVHLFGEGSG-UHFFFAOYSA-N 379.380 0.903 0 40 GCAB O=C(CCc1cncnc1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 1565548111 RUWMZCHNQXBWBS-OXQOHEQNSA-N 381.436 0.848 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(S(=O)(=O)N(C)C)C[C@H]2O1 2055729883 XKXBOWAMKSOMFI-CWRNSKLLSA-N 382.486 0.326 0 40 GCAB COC(=O)C1=C(C(=O)OC)CC(n2nnc(C(=O)OC)c2C(=O)OC)=CC1 5760232 MPZIYZLCXUXYDO-UHFFFAOYSA-N 379.325 0.129 0 40 GCAB Cc1cccc(OCCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 8778716 YSAIGEMOHPPPGI-UHFFFAOYSA-N 385.424 0.327 0 40 GCAB Nn1c(SCC(=O)N2CCOCC2)nnc1-c1cc(-c2ccccc2)n[nH]1 8970646 ZZFWMTVOYRFHRS-UHFFFAOYSA-N 385.453 1.000 0 40 GCAB Cc1cc(NC(=O)C(=O)N2CCC[C@H](C)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039722 IAUXRJLZLHTWLV-NSHDSACASA-N 384.440 0.950 0 40 GCAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12801627 LBJMXQMAAGPQGK-ZDUSSCGKSA-N 391.501 0.587 0 40 GCAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCC1 22228529 HPIJZDPDIFVWFQ-UHFFFAOYSA-N 379.482 0.752 0 40 GCAB Cn1cc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)c(=O)n(C)c1=O 30497839 XPKDSDWFZNSPGK-GFCCVEGCSA-N 399.494 0.515 0 40 GCAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 32643055 IWTQJNMVOZAMRA-UHFFFAOYSA-N 381.454 0.841 0 40 GCAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCCC(=O)O)n2)cc1OC 49550318 BYIDLKDJVZQUJF-UHFFFAOYSA-N 375.381 0.909 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(c3cc(C(N)=O)ccn3)CC2)cc1 58156553 OBMNVVKOUKCSLH-UHFFFAOYSA-N 376.438 0.700 0 40 GCAB CN1CCN(C[C@@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)CCO2)CC1 95393103 GYIMEEUOYWBGJP-GFCCVEGCSA-N 385.394 0.596 0 40 GCAB CCN(C)S(=O)(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 96000346 CFZFHECZYLCQLS-LBPRGKRZSA-N 386.440 0.354 0 40 GCAB OC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@H]32)[C@H](O)[C@H](O)[C@H]1O 257239879 HREUTUWILNMRSM-JGRDWBAHSA-N 380.437 0.502 0 40 GCAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCO 409138966 KNWNUJRVTMVIAN-UHFFFAOYSA-N 378.450 0.695 0 40 GCAB CCN1CCN(C(=O)NC[C@@](O)(c2ccsc2)c2ccco2)C(=O)C1=O 618255410 OXPPWQNYPMQFOL-QGZVFWFLSA-N 377.422 0.977 0 40 GCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 627843987 CDWJRQBNFMGFSN-FQEVSTJZSA-N 389.452 0.526 0 40 GCAB O=C(CN1C(=O)c2ccccc2C1=O)[C@@H](O)CN1C(=O)c2ccccc2C1=O 1581877 ZJZYQKKDHFXIAM-HNNXBMFYSA-N 378.340 0.509 0 40 GCAB in-vitro CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4269662 HPCNNFRNPKCVGM-CQSZACIVSA-N 388.511 0.976 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 5068912 NLFLKHLVEJCFTP-OWLDWWDNSA-N 375.406 0.080 0 40 GCAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c2O1 6032543 HCYUAQRNNGZAQW-ZDUSSCGKSA-N 397.449 0.625 0 40 GCAB C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 6908575 RVMROEPQWAYINR-SNVBAGLBSA-N 375.816 0.965 0 40 GCAB CN1[C@@H](C(=O)NCCCn2ccnc2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12087357 IRAWLBKUGDUHKA-JKSUJKDBSA-N 395.460 0.808 0 40 GCAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CN2CCCCCC2=O)CC3)C1 19709281 CTFDNYBAIPHTJW-MRXNPFEDSA-N 388.516 0.875 0 40 GCAB Cc1ccc(C)c(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)N(C)C)c1 20244784 DLNDHEBFVRXXDN-UHFFFAOYSA-N 396.513 0.640 0 40 GCAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20622334 WLVYUSVYENGAAN-UHFFFAOYSA-N 388.468 0.700 0 40 GCAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(CCS(N)(=O)=O)CC1 78970366 JNDPJMQZUVTZIU-ISOUWHGUSA-N 398.573 0.366 0 40 GCAB NC(=O)c1cn(C2CN(C(=O)CCOc3cccc(Br)c3)C2)nn1 95997896 IZKYWQVJYRVKFR-UHFFFAOYSA-N 394.229 0.992 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCOCC1 96251020 ZDGFSFCWZUTNSV-KZNAEPCWSA-N 378.494 0.781 0 40 GCAB CN1CCN(c2ccc3c(c2)N/C(=C2\C(=O)N=c4cccc(F)c4=C2N)N3)CC1 100270141 KCOYQXZDFIIGCY-ZZEZOPTASA-N 392.438 0.553 0 40 GCAB investigational CS(=O)(=O)N1CCN(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)C1=O 575414026 LZLPFLFEYVCFHL-HNNXBMFYSA-N 383.382 0.515 0 40 GCAB CCn1cc(S(=O)(=O)N(C)C2CN(c3ccc4nncn4n3)C2)nc1C 952987337 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O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(c2ncccn2)CC1 10272961 OQNMSCOVWRYVAW-UHFFFAOYSA-N 387.465 0.979 0 40 GCAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1C1CC1 12767132 OHMQOJWYMOHGDZ-SNVBAGLBSA-N 382.490 0.993 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1nnc2ccccc2c1=O 12901899 NSJMFLFGTSADFP-UHFFFAOYSA-N 376.376 0.687 0 40 GCAB CC(=O)N[C@@]12CN(CC(=O)Nc3ccc(F)cc3)CC[C@@H]1CN(C(C)=O)C2 19713657 DBAVKBAEIRGQQM-DNVCBOLYSA-N 376.432 0.823 0 40 GCAB COCCNC(=O)CSc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011419 AFOFKEJWBIAMKU-UHFFFAOYSA-N 386.459 0.387 0 40 GCAB COCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22688499 IYHFWANMBDEBEO-CQSZACIVSA-N 384.454 0.764 0 40 GCAB CCc1nc2ccccc2c2nn(CC(=O)NCCCN3CCCC3=O)c(=O)n12 57731038 MOVPUPQBBTUAKO-UHFFFAOYSA-N 396.451 0.735 0 40 GCAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(=O)NCC(F)(F)F)C2=O)o1 58184523 XPGOLVLKUIYNHY-CYBMUJFWSA-N 376.291 0.743 0 40 GCAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 95451978 KMIZBXMQSFDTQB-CVEARBPZSA-N 377.466 0.206 0 40 GCAB CC(C)[C@]1(O)[C@H](O)[C@H]2O[C@@]23[C@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@H]2O[C@]23[C@@H]1O 100794662 DYVDZVMUDBCZSA-OEKCLCSASA-N 378.421 0.058 0 40 GCAB O=C(c1cn(C[C@@H](O)c2ccccc2F)nn1)N1CCN(c2ncccn2)CC1 225580885 BHQQPAXWNPYLPI-QGZVFWFLSA-N 397.414 0.903 0 40 GCAB O=C(O)COc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4ccnc4cn3)C2)cc1 257301775 RZWRIVODWKQTJI-PBHICJAKSA-N 396.403 0.868 0 40 GCAB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408651463 AZRJKJMRKFAKAQ-GNTOHDJUSA-N 384.388 0.984 0 40 GCAB CNC(=O)CN1CCN(c2nccc(N[C@@H]3CCCO[C@H]3C(C)C)n2)CC1 509146008 GAGLWUHSKPPQMS-QAPCUYQASA-N 376.505 0.960 0 40 GCAB CCc1ccc(S(=O)(=O)NCc2nc(OC)nc(N3CCOCC3)n2)cc1 575608787 YIRUBDWJZWZCMU-UHFFFAOYSA-N 393.469 0.758 0 40 GCAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)CNS(C)(=O)=O)CC2)nn1C 585173823 GBWJQNWFICBPLM-SHTZXODSSA-N 399.561 0.763 0 40 GCAB O[C@]1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1 585274423 WJERZPSIHZHVEX-NRFANRHFSA-N 375.513 0.788 0 40 GCAB CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C1(n3cnnn3)CCCCC1)C2 650029226 ZTQDBFJYYNVSGD-HOTGVXAUSA-N 389.504 0.532 0 40 GCAB O=C(O)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 652053073 QFIPZOIHIHJJQW-WDEREUQCSA-N 391.243 0.773 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)N5CCCC5)C[C@@H]4C3)n1)CCC2 1888897133 LAIBATKJQRLYLP-GJZGRUSLSA-N 377.514 0.982 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1889211574 ILALLBAEIHUSFJ-UHFFFAOYSA-N 381.444 0.615 0 40 GCAB Cn1c(=O)c2nc(SCC(=O)NCc3ccc(F)cc3)n(C)c2n(C)c1=O 4570999 FPSGXIZDWNWBFO-UHFFFAOYSA-N 391.428 0.518 0 40 GCAB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(N)=O 6959378 CEEVHQXRMFVPIV-UHFFFAOYSA-N 383.813 0.517 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12234786 UBWWNTQCLOXCSA-LBPRGKRZSA-N 385.511 0.886 0 40 GCAB CCN1CCN(S(=O)(=O)CCNC(=O)CCc2ccc(OC)cc2)CC1 12876682 OIJMGTOLQRMZPT-UHFFFAOYSA-N 383.514 0.711 0 40 GCAB O=C(c1ccccn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 19400180 LNBXCXGFQWZBRI-HNNXBMFYSA-N 384.440 0.698 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)cnc21 23131504 DZAHYYLINYUKAJ-HNNXBMFYSA-N 380.408 0.760 0 40 GCAB O=C([C@@H]1CCCO1)N1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 23409112 LUSLTLTYZVBPBB-AEFFLSMTSA-N 392.452 0.616 0 40 GCAB CCOc1ccc(OCCNC(=O)CN2CCCN(CC(=O)OC)CC2)cc1 72311976 VFOYVSDRQWNRAO-UHFFFAOYSA-N 393.484 0.761 0 40 GCAB Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)CS2 90609560 RGARBFUBHXCFCA-CYBMUJFWSA-N 388.449 0.851 0 40 GCAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)Cc2ccccn2)CC1 95941275 NHPSDTHLTVXMEL-HNNXBMFYSA-N 375.473 0.639 0 40 GCAB CC1=NN(Cc2ccccc2Cl)C(=O)[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 101901820 AUZWIKKLTFHBGY-JSGCOSHPSA-N 383.857 0.978 0 40 GCAB CCCCS(=O)(=O)N(C)CC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224316605 INANQELFUZPCBY-UHFFFAOYSA-N 398.533 0.253 0 40 GCAB CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccccc2N)CC1 240122542 WCEWRULKCJEPAI-INIZCTEOSA-N 378.517 0.792 0 40 GCAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)c4ccc(F)cc4)CCO3)nc2n(C)c1=O 257286654 PMKWWYUZCNKNQC-MRXNPFEDSA-N 398.394 0.985 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1C 575420986 GBZOHQMHDVLKEH-CABCVRRESA-N 391.511 0.143 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)Nc2nc3ccc(F)cn3n2)[C@H]1c1cnn(C)c1 585114292 NPILPKXJQGPCBE-CABCVRRESA-N 387.375 0.529 0 40 GCAB CN1N=C(C(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)CCC1=O 643587040 PRQLFFBAYMLXRV-DZGCQCFKSA-N 386.408 0.154 0 40 GCAB Cc1cc(=NC(=O)CN2CCN(C(=O)[C@]3(C(=O)O)CC=CCC3)CC2)[nH]o1 653309123 WVYWGDYEVXLDKN-SFHVURJKSA-N 376.413 0.299 0 40 GCAB Cn1nc2c(c1C(=O)NC[C@@](C)(O)c1cccc(F)c1)CS(=O)(=O)CC2 1178264862 DAXGJPRAWPDEPI-QGZVFWFLSA-N 381.429 0.668 0 40 GCAB COC1(CC(=O)N2CCOC[C@@]3(CC[C@H](Cn4ncccc4=O)O3)C2)CCC1 1614930512 FBXCYVNNJLNIAL-OXQOHEQNSA-N 391.468 0.979 0 40 GCAB CCOC(=O)N1CCC(N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)CC1 2037985514 MJGZNRHUROVURK-IBGZPJMESA-N 383.489 0.946 0 40 GCAB c1cnc2ncnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)c2c1 2086889763 YNUVIUUDAMCTLM-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F 6658122 UKHSMYGFJPGCOX-ZDUSSCGKSA-N 377.250 0.170 0 40 GCAB COCCN(Cc1ccccc1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O 8881408 XCIFTZPTOVLESN-UHFFFAOYSA-N 396.241 0.974 0 40 GCAB CN1CCN(n2c3c(c(SCC(=O)NC4CCCC4)nc2=O)CCC3)CC1 10255084 KYQYPTAPJVGSJJ-UHFFFAOYSA-N 391.541 0.766 0 40 GCAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 12588180 RDJYHJLXCCWJFF-LSDHHAIUSA-N 383.489 0.982 0 40 GCAB COC(=O)CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12878137 ZDIJYEJEPJQBPQ-UHFFFAOYSA-N 384.454 0.717 0 40 GCAB COc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1Br 22913011 SFXCOTAYVSGEIE-UHFFFAOYSA-N 392.319 0.983 0 40 GCAB Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 32420289 DOKYBKXAWACCFB-UHFFFAOYSA-N 392.419 0.720 0 40 GCAB O=C(CCNC(=O)c1cncc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 32924824 ZGLXSHQMQFYJFB-LLVKDONJSA-N 390.259 0.267 0 40 GCAB CNS(=O)(=O)c1ccc(-c2nc(-c3cccc(OCC(N)=O)c3)no2)o1 36357242 SVDZUKPXEYWFCS-UHFFFAOYSA-N 378.366 0.769 0 40 GCAB CCCc1c(C(=O)NCCN2CCS(=O)(=O)CC2)[nH]c(C)c1C(=O)OC 40154544 VAHUQTKHKKBPQP-UHFFFAOYSA-N 385.486 0.522 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 89512365 MSRRCXCRPOOTTR-CYBMUJFWSA-N 391.453 0.286 0 40 GCAB CCOC(=O)c1cnn2c(C(=O)NCC3CCN(CCOC)CC3)ccnc12 95441955 RQFINTYYXGAXIM-UHFFFAOYSA-N 389.456 0.994 0 40 GCAB C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 95480485 PGIONFBYYQYIOY-RDTXWAMCSA-N 378.450 0.397 0 40 GCAB CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 256007920 VWVKUNOPTJGDOB-FXTUREPZSA-N 386.444 0.997 0 40 GCAB Cn1cccc1C(=O)N1CCO[C@H](Cn2nnc3c(N4CCCC4)ncnc32)C1 306140339 UQLXOOFDRMSQSF-AWEZNQCLSA-N 396.455 0.701 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 408610770 VUFKOYFSCWQHRS-UHFFFAOYSA-N 379.438 0.702 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)c1 575420485 CDWLMORBQWSNIH-HNNXBMFYSA-N 392.499 0.149 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCO[C@@](C)(C(F)F)C2)C1 661182919 ZQWWCUPBJPQGJV-BXUZGUMPSA-N 384.449 0.323 0 40 GCAB CNC(=S)N1CCC(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(C)=O)CC1 1325383 SHYUFOHTKFNBSJ-KRWDZBQOSA-N 392.525 0.827 0 40 GCAB Cc1cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c3c(c(=O)oc2c1)CCCC3 2121125 NEDWMPSWHZWUBC-OMNJKAEPSA-N 392.404 0.159 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1 3312248 YPFIHPOWECDZBU-UHFFFAOYSA-N 391.405 0.489 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2OC)n(C)c1=O 5252135 NQPUZDVSKYNZMN-UHFFFAOYSA-N 399.407 0.538 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1nc2ccccc2o1 8071914 QIWVZIHDFVPKOX-SBDDDAINSA-N 391.449 0.993 0 40 GCAB O=C(NCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccncc1 9060003 ZSGNURZMIYHYQY-AWEZNQCLSA-N 394.439 0.511 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12925786 CJBWQWZIHNCQQZ-CJNGLKHVSA-N 395.481 0.096 0 40 GCAB CCN1CCc2c(sc3c2c(NCCN2CCOCC2)nc2nnnn23)C1 20533216 NAVAQTAFLPBIKQ-UHFFFAOYSA-N 388.501 0.856 0 40 GCAB COC(=O)c1ccccc1NC(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1 20715728 LVWUYXQXTMMCMD-UHFFFAOYSA-N 397.453 0.296 0 40 GCAB Cc1c([C@H](C)NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cnn1C 25000441 BZPBUZJSUQBFLD-NSHDSACASA-N 375.454 0.987 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccc1 32095968 ROCUZNMKOZJIOW-KRWDZBQOSA-N 387.461 0.882 0 40 GCAB O=c1[nH]c(N2CCOCC2)nc2c1CN(Cc1nnnn1C1CCCC1)CC2 43277639 PCRPXJKJCNFUHH-UHFFFAOYSA-N 386.460 0.266 0 40 GCAB NC(=O)N[C@@H](CC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccccc1 48300035 QBQGRIFIGDXGAL-LBPRGKRZSA-N 382.467 0.811 0 40 GCAB Cn1c(=O)c2c(nc(N3CCNCC3)n2C/C=C/c2ccccc2)n(C)c1=O 62720596 AELRYEMNDRROGD-RMKNXTFCSA-N 380.452 0.557 0 40 GCAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(CCO)CC1)C(=O)O 71283540 USUMGNNBKDHXHD-GFCCVEGCSA-N 399.469 0.174 0 40 GCAB CC[C@H](O)CN1CCC(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 89943323 JRLRLRDLGXDFAC-AWEZNQCLSA-N 381.502 0.790 0 40 GCAB CS(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCN(C(=O)c3ccccc3)CC[C@@H]21 96251586 KSWFWAVMZHRQDZ-LSDHHAIUSA-N 386.495 0.350 0 40 GCAB CCc1ccccc1C(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 263202045 VGASRMKQSWQJMK-AWEZNQCLSA-N 384.454 0.436 0 40 GCAB CC(C)n1cc(C[C@H]2NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)nn1 560875871 MAIGRTZBPSJSAN-OAHLLOKOSA-N 382.424 0.911 0 40 GCAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cc(=O)n(-c2ccccc2)c(O)n1 575618405 BFRAYLHUPCQOPE-UHFFFAOYSA-N 393.403 0.802 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]2O1 1565548716 IUMLWBAIRKNSLU-BPUTZDHNSA-N 384.440 0.488 0 40 GCAB C[C@@H](CN(C)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)O 1589031536 PPGDCDNNRLVBIP-JTQLQIEISA-N 376.456 0.896 0 40 GCAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccnc5)C[C@@H]4C3)ncnc21 1888921897 XKRNYUFSMMEHSN-KBPBESRZSA-N 399.480 0.998 0 40 GCAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 9939438 ULDZFQWNCWGFPE-BXUZGUMPSA-N 380.422 0.950 0 40 GCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2)cc1 11904430 HAWGCMAAXNUNKH-UHFFFAOYSA-N 381.435 0.627 0 40 GCAB CN1N=C(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCC1=O 12618459 QJZWPKTXSDSWRB-UHFFFAOYSA-N 388.453 0.008 0 40 GCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCN(C)C)c2cc(Br)ccc21 13624892 IQLMFWXBQRDMIW-CYBMUJFWSA-N 397.273 0.651 0 40 GCAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 15365596 CXEKSHZBIZJRIO-JTQLQIEISA-N 383.426 0.141 0 40 GCAB O=C(c1cscn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 19292160 GDTBZSOKZABWPB-ZDUSSCGKSA-N 390.469 0.759 0 40 GCAB COC(=O)C1(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)CCCCC1 25173634 WPWPOKULGOKXQR-UHFFFAOYSA-N 386.408 0.488 0 40 GCAB COc1ccc(CNC(=O)Cn2nc3c(N4CCOCC4)nccn3c2=O)cc1 49400012 LHGGFMALSUGISH-UHFFFAOYSA-N 398.423 0.053 0 40 GCAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1ccc(=O)[nH]c1 77154522 QVWQDLIKCCASLT-UHFFFAOYSA-N 380.451 0.934 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNS(=O)(=O)Cc2cccc(F)c2)c1=O 90591505 CJJRLLGWCCXLMQ-UHFFFAOYSA-N 382.339 0.859 0 40 GCAB Cc1ccc(NC(=O)CN[C@@H](C)c2nncn2C)cc1S(=O)(=O)N(C)C 95941254 MBGFEWYYZXKSDW-LBPRGKRZSA-N 380.474 0.663 0 40 GCAB CCS(=O)(=O)N1C[C@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 218787556 TUOVSZLPMQXMRK-MRXNPFEDSA-N 383.470 0.052 0 40 GCAB CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)CC1 952845033 ZHRWLRNUANBIDI-LTFPLMDUSA-N 386.452 0.663 0 40 GCAB biogenic,in-vitro OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4Cl)ncnc32)[C@@H](O)[C@@H]1O 5515035 ONONMLMFXBFTIS-GXCBOPRBSA-N 377.788 0.835 0 40 GCAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 8425089 IBYBEOLGMYFETD-UHFFFAOYSA-N 393.806 0.885 0 40 GCAB CCCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 11705432 KWINSEQHTZCRIZ-UHFFFAOYSA-N 386.474 0.335 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H](c3cnn(C)c3C)NS(=O)(=O)N2C)c1 12130865 PLTLZSUVCKJCSM-DZGCQCFKSA-N 393.469 0.961 0 40 GCAB C[C@@H](NC(=O)c1ccnn1C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366296 GHDPLQNWUAQKSF-GDBMZVCRSA-N 385.468 0.890 0 40 GCAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCS(=O)(=O)CCC(N)=O)C1=O 14277082 JHRRJFBEAGUHJU-GOSISDBHSA-N 393.465 0.233 0 40 GCAB CCOCC(=O)NCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 22732933 LLCQNHHQGXWIOM-UHFFFAOYSA-N 385.486 0.154 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(F)(F)F)CC2)cc1 34859834 NYPACQZJNLCHEB-UHFFFAOYSA-N 395.403 0.680 0 40 GCAB Cc1cc(=O)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)[nH]1 40158805 XOOWCCIBAQEDCX-UHFFFAOYSA-N 380.408 0.464 0 40 GCAB Cn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c1CCS(=O)(=O)C2 41070327 CXGTVLLYMLTNKO-UHFFFAOYSA-N 392.456 0.993 0 40 GCAB CCOC(CNC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2OC)C1)OCC 49030548 SJSWEUZTQWSHKH-CYBMUJFWSA-N 382.461 0.796 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CSC[C@H]1C(=O)N1CCSCC1 60244440 RGWXKSGSNHIJHZ-LBPRGKRZSA-N 390.556 0.676 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 109069790 FBDMDHVTNCZVKM-RYUDHWBXSA-N 392.510 0.838 0 40 GCAB Cc1ccc(F)cc1NC(=O)CN1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257289159 PXGGUEBMOKSFKN-WMZOPIPTSA-N 399.488 0.933 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCN1CCOCC1 408593368 NKLHKQMJZJLXSV-HNNXBMFYSA-N 391.493 0.955 0 40 GCAB CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@H]2CCCN(Cc3ccccc3)C2)[nH]1 555897312 XFWIXVAKTDZMBH-KRWDZBQOSA-N 385.516 0.438 0 40 GCAB C[C@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc2c(c1)OCO2 4361158 QTJSULHQPKKCRA-VIFPVBQESA-N 377.353 0.616 0 40 GCAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 5219761 DKTPOZLRGRLTNB-UHFFFAOYSA-N 382.424 0.486 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccccc2-n2cnnn2)NC(=O)N[C@@H]1C 9639756 OHOUYAUGQBHGQO-SNVBAGLBSA-N 386.368 0.338 0 40 GCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CN[C@H]1CCS(=O)(=O)C1 12366146 HMBYMOPCAJNBAY-JKSUJKDBSA-N 381.498 0.115 0 40 GCAB Cn1nnc2c(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cnc21 12443952 MQJYJSPNRDDYID-UHFFFAOYSA-N 387.831 0.527 0 40 GCAB COc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OCC(N)=O 12850700 WYDHLCAVKLAMHN-UHFFFAOYSA-N 379.394 0.459 0 40 GCAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 23142093 AMRBDHZSRNJSOZ-UHFFFAOYSA-N 385.468 0.705 0 40 GCAB Cc1ccc(S(=O)(=O)NCCCC(=O)NCCN2CCOCC2)cc1C 23642166 LRFJKDXMOBLNHS-UHFFFAOYSA-N 383.514 0.810 0 40 GCAB CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 32929519 DSWPSJNTTKNJOI-UHFFFAOYSA-N 378.498 0.919 0 40 GCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(c2nnc(C3CC3)o2)CC1 35597697 WXKPLALFMKUQIV-UHFFFAOYSA-N 396.469 0.995 0 40 GCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)N1CCOCC1 36360829 HZBMWENRNQRJHL-UHFFFAOYSA-N 377.788 0.545 0 40 GCAB C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 37477878 NJMDBAXNHKTVKV-GFCCVEGCSA-N 384.433 0.072 0 40 GCAB O=C(Cc1ccc(-n2cccc2)cc1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 43059964 UMFWRIKMSKMCDC-MRXNPFEDSA-N 389.477 0.829 0 40 GCAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCn1nc(-n2cccn2)ccc1=O 77196881 VLNDBGZPIQGGRP-SCLBCKFNSA-N 381.392 0.774 0 40 GCAB Cc1cc(NC(=O)COc2c[nH]c(C)cc2=O)n([C@H]2CCS(=O)(=O)C2)n1 95475128 LMRXMJSFOHMIAW-LBPRGKRZSA-N 380.426 0.565 0 40 GCAB CC(C)n1cc(N2C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cn1 96101517 LDWAUWKZTJSINS-HNNXBMFYSA-N 383.456 0.956 0 40 GCAB O=C1NC(=O)/C(=C\c2ccc(C(=O)NCCC(=O)N3CCOCC3)cc2)S1 97013787 XPUVMNGVNQWJDR-SDNWHVSQSA-N 389.433 0.989 0 40 GCAB Cc1cc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)no1 575616792 ZVKZYHVSQUOGGJ-UHFFFAOYSA-N 388.350 1.173 0 40 GCAB O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCC(CCO)CC2)[C@@H](O)C1 585290860 WVBWUCMCABPMBE-FPOVZHCZSA-N 376.497 0.648 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)c1 1258996402 SLKBUVOYBPQLPV-JKSUJKDBSA-N 390.465 0.582 0 40 GCAB COc1ncc(S(=O)(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)cc1Cl 1615590196 KDQKBAGWMAVAKH-AVGNSLFASA-N 389.861 0.752 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972840 YGLRNORYBBETEF-UHFFFAOYSA-N 382.420 0.784 0 40 GCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2c(C)noc2C)CC1 2055773002 IOMOMNNCEAVMJJ-UHFFFAOYSA-N 375.429 0.882 0 40 GCAB CN1CCN(C[C@@H]2CC[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)O2)CC1 2055795715 JLPYVXQMQOBKFP-FXAWDEMLSA-N 381.517 0.316 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)C1 4216488 FDCNQIWMRJRVJR-ZDUSSCGKSA-N 379.442 0.935 0 40 GCAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CNC(C)=O)CC3)C2=O)cc1 4753448 RTTUYQJFPHCXPQ-KRWDZBQOSA-N 387.436 0.953 0 40 GCAB Cc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 6932256 VYWQCKDVRTUOFY-UHFFFAOYSA-N 382.438 0.451 0 40 GCAB CCN(C(=O)CSc1nc(C)cc(C)c1C(N)=O)[C@H]1CCS(=O)(=O)C1 7719433 YIWMCRNACOQPHD-LBPRGKRZSA-N 385.511 0.925 0 40 GCAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCNC1=O 9216952 XDXOZLVGZNKRCZ-UHFFFAOYSA-N 380.474 0.845 0 40 GCAB CO[C@H](C(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)c1ccccc1 12113738 IAEWAKJNCSZJQL-KRWDZBQOSA-N 384.436 0.879 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 12409000 KLHLBZFJBMOTLE-LBPRGKRZSA-N 385.873 0.797 0 40 GCAB Cn1c(=O)c2ccccc2n(CC(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1=O 12428047 AXBJVIHVZVMRGR-UHFFFAOYSA-N 378.388 0.774 0 40 GCAB O=C1NN/C=N\c2ccc(cc2)S(=O)(=O)c2ccc(cc2)/N=C\NNC1=O 18030250 IQTHDAXRWGVSQR-UHFFFAOYSA-N 386.393 0.094 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1 19697942 RIWGMRTYGMDFPG-NSHDSACASA-N 397.478 0.449 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1 19705730 SNYLPKOLGRDUFK-HNNXBMFYSA-N 394.497 0.573 0 40 GCAB CC(C)[C@H]1N(C(=O)CN2CCOCC2)CCN1S(=O)(=O)c1ccccc1 19943440 AFRRFKICJZWXEY-SFHVURJKSA-N 381.498 0.834 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccn2)cc1 36365792 SXKHHVJLBSENPH-OAHLLOKOSA-N 388.449 0.908 0 40 GCAB CC[C@@H](C)C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 40157348 JBSKGNQKDMJOMX-CYBMUJFWSA-N 385.461 0.821 0 40 GCAB O=C1c2ccccc2C(=O)N1Cc1nn2c(CN3CCOCC3)nnc2s1 40286605 QPQWLKFQFVMQPR-UHFFFAOYSA-N 384.421 0.814 0 40 GCAB Cc1ccc(C(=O)NCCCN2CCCC2=O)c(N2CCN(CCO)CC2)n1 57744941 WMXWOPATZDRARF-UHFFFAOYSA-N 389.500 0.247 0 40 GCAB COc1ccc(CCNC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1OC 57947376 PBIKLZDQNNEVDL-UHFFFAOYSA-N 391.424 0.464 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1 72335195 VVBAIJYMBXKBSR-HUUCEWRRSA-N 378.458 0.020 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCCN1CCCc1nnnn1-c1ccccc1 83987507 FMOXNZJZAOGCFG-INIZCTEOSA-N 378.502 0.999 0 40 GCAB CC(C)CN1CCN(C)C(=O)C12CCN(S(=O)(=O)c1cn(C)cn1)CC2 96230268 ZYNRJKSNZFABTB-UHFFFAOYSA-N 383.518 0.373 0 40 GCAB O=C(OCCO)c1ccc(S(=O)(=O)c2ccc(C(=O)OCCO)cc2)cc1 221709989 IIAPLKYGISUOQR-UHFFFAOYSA-N 394.401 0.818 0 40 GCAB Cc1nc(O)c2c(n1)CN(C(=O)[C@H]1[C@H]3C=C[C@@]4(CN(C(C)C)C(=O)[C@H]14)O3)CC2 257286526 PLXGPRDBKYTBFE-OLPIVMHESA-N 384.436 0.566 0 40 GCAB Cn1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)n1 306133946 MZYLKFZZJHYNON-UHFFFAOYSA-N 383.456 0.773 0 40 GCAB O=C(N[C@]1(CO)COc2ccccc2C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 529822715 MSWTYKSWPGYKEG-IIBYNOLFSA-N 381.432 0.913 0 40 GCAB CCn1ccnc1CN1CCCN(C(=O)[C@H](CCSC)NC(N)=O)CC1 599354898 SJUMRXCRDYRALA-AWEZNQCLSA-N 382.534 0.727 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 681942723 OERGPTSNAUOLBO-ZDUSSCGKSA-N 378.381 0.232 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224042 BETQRFGEQCMKJW-LJQANCHMSA-N 399.557 0.748 0 40 GCAB CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)CC1 789694 YLIVOCMCKOERCC-UHFFFAOYSA-N 386.431 0.373 0 40 GCAB CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 2009531 OHKOGUYZJXTSFX-JXVAYASWSA-N 384.435 0.548 0 40 GCAB in-vitro CC(C)NC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 3027790 GBRQPNOINZZXTK-LLVKDONJSA-N 375.472 0.126 0 40 GCAB CCN(C(=O)COC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 3412058 YJOAFGCEXZZYLA-IUODEOHRSA-N 383.422 0.405 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)CO)C(C)C)CC2=O)cc1 4086348 BBLVQHSYVMDMGR-IYOUNJFTSA-N 391.468 0.686 0 40 GCAB biogenic CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O 5027220 IZDFHHVPNPDEDP-MCIONIFRSA-N 398.504 0.907 0 40 GCAB O=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 5859899 ZGVYHBFPBOKCAL-UHFFFAOYSA-N 390.421 0.395 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3sccn3c2=O)CC1 9116893 IDQDCVCRKAUYOV-UHFFFAOYSA-N 386.455 0.527 0 40 GCAB CS(=O)(=O)NC1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 11449221 RMTDXHIASOMAHT-UHFFFAOYSA-N 378.454 0.396 0 40 GCAB COCCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11904215 PERUTNLPWBEKOY-UHFFFAOYSA-N 392.455 0.077 0 40 GCAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC1)O2 19219103 KGFAFHQTOKGVGV-AWEZNQCLSA-N 392.477 0.913 0 40 GCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O 19526953 CEONYOGCFGHFNX-CVEARBPZSA-N 399.495 0.956 0 40 GCAB CC(=O)Nc1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 30530225 VQHIKQUQPNYRLM-GUYCJALGSA-N 379.438 0.812 0 40 GCAB CC(=O)OC[C@H]1O[C@@H](n2ccc(=S)nc2O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 38358690 VOSWRYRYGCAHQU-FMKGYKFTSA-N 386.382 0.642 0 40 GCAB in-vitro CS(=O)(=O)NCCCNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 40069110 ITALEGRCFKLBFT-UHFFFAOYSA-N 382.486 0.530 0 40 GCAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 40267304 BVTNSLYATMUYGH-CYBMUJFWSA-N 377.422 0.222 0 40 GCAB NC(=O)c1ccccc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O 40312914 VRYOSVSZYCFDOB-UHFFFAOYSA-N 379.376 0.250 0 40 GCAB biogenic CCn1c(N)c(C(=O)CN2CCO[C@@H](c3cccc(F)c3)C2)c(=O)[nH]c1=O 66848800 YFJBCRUJOLPRCX-CQSZACIVSA-N 376.388 0.534 0 40 GCAB CN1CCN(CCOc2ccccc2CN2CC[C@]3(CC(=O)NC3=O)C2)CC1 82106765 QLSFRYYCPUPTPI-NRFANRHFSA-N 386.496 0.551 0 40 GCAB COc1ccccc1N(CCCC(=O)NCCN1CCOCC1)S(C)(=O)=O 222583005 RGBDANCHQRVLPT-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB CC(=O)Nc1cccc(C(=O)N2CCN(C3CCS(=O)(=O)CC3)CC2)c1 252479514 BGRIFGDRKPYRHA-UHFFFAOYSA-N 379.482 0.980 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](O)[C@@H]1O 257241418 HXZDUEUONPADSL-RRCSTGOVSA-N 397.439 0.427 0 40 GCAB O=C(NC[C@]1(O)COCCN(Cc2ccc3cc[nH]c3c2)C1)c1cnccn1 257295286 QXRZBRZDCDVESJ-HXUWFJFHSA-N 381.436 0.951 0 40 GCAB COc1cc(C)c(S(=O)(=O)N2C[C@H]3CNCC[C@@]3(NC(C)=O)C2)cc1C 257309985 UDEKOMCLVSUFDU-CRAIPNDOSA-N 381.498 0.801 0 40 GCAB CN(C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426201 OJIIXTJJDHAIAE-HNNXBMFYSA-N 397.522 0.974 0 40 GCAB COc1cc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCCN(C)C 585273014 OLWLIIDNRQZVLJ-ROUUACIJSA-N 379.501 0.513 0 40 GCAB CC(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 585273529 SGVKTQGIHHUXCT-UHFFFAOYSA-N 397.478 0.663 0 40 GCAB O=c1ccc(-n2cccn2)nn1CC1CCN(c2ccc3nncn3n2)CC1 585502452 UHBNORRHLCWSHA-UHFFFAOYSA-N 377.412 0.783 0 40 GCAB CC(=O)N1CCC2(CC1)C[C@@H](O)[C@@H](O)Cc1ccccc1OCC(=O)N(C)C2 643574284 NMSVTFWEPNNXED-ZWKOTPCHSA-N 390.480 0.821 0 40 GCAB C[C@@H](O)CNC(=O)c1sccc1S(=O)(=O)NC[C@H](O)c1ccccc1 685940350 GFCVIRHQONKVSD-YPMHNXCESA-N 384.479 0.871 0 40 GCAB Cc1ccnc(N2C[C@H]3CN(C(=O)[C@@H]4CC(=O)N(C5CCOCC5)C4)C[C@H]3C2)n1 1888849968 YNDWRAXFHXWLQR-ZACQAIPSSA-N 399.495 0.707 0 40 GCAB CC1CCN(C(=O)CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1 1889122645 STKHJVACARYLHF-UHFFFAOYSA-N 388.516 0.694 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)NCC(=O)Nc1ccc(F)c(F)c1F 5157753 KRLZOYRQIZDGJN-UHFFFAOYSA-N 391.309 0.964 0 40 GCAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1=O 7783191 AANHVNALJUODCN-UHFFFAOYSA-N 398.391 0.205 0 40 GCAB COc1ccc2cc(C)c3nn(CC(=O)N4CCN(C(C)=O)CC4)c(=O)n3c2c1 12181708 DPCGBESSYJYTDH-UHFFFAOYSA-N 397.435 0.657 0 40 GCAB Cn1c(C(=O)Nc2cccc(OCCN3CCOCC3)c2)cc(=O)n(C)c1=O 19288715 ZCTIVIDYFBHFTM-UHFFFAOYSA-N 388.424 0.047 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNc2nc(C)cc(C)n2)c1 21363238 WUCXQJFWCZTEAE-UHFFFAOYSA-N 394.409 0.972 0 40 GCAB O=c1ccn(Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c(=O)[nH]1 21704305 SOOAZRSWODAXEF-UHFFFAOYSA-N 384.377 0.497 0 40 GCAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 24243276 HRLYFNZDFUZPCM-HNNXBMFYSA-N 394.541 0.722 0 40 GCAB Cc1cc(=O)n(CC(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cn1 42379534 MPAQBGCTICPDFD-UHFFFAOYSA-N 383.383 0.731 0 40 GCAB CCOC(=O)C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(OC)c1 58047916 INQJYNZKVONEDE-AWEZNQCLSA-N 375.381 0.356 0 40 GCAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 58312896 RZYGEMBJXNRXOY-IXDOHACOSA-N 395.456 0.696 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005041 KEFVDLYBTPAGBR-ZDUSSCGKSA-N 376.504 0.435 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(NC[C@@H]1CCCO1)n2CC(=O)c1ccccc1 96306417 QCXYYDHRIPICNX-ZDUSSCGKSA-N 383.408 0.897 0 40 GCAB Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 144122476 YXQSQDQDYVOJLV-ICQCTTRCSA-N 395.363 0.065 0 40 GCAB CC(=O)Nc1cc(CCC2CCN(C(=O)CNS(C)(=O)=O)CC2)ccn1 257335282 YJLRIZACYKYAJS-UHFFFAOYSA-N 382.486 0.760 0 40 GCAB COCCN1CC[C@@]2(CN(C(=O)c3ccnn3C)C[C@H]2c2cn(C)cn2)C1=O 306141038 VJNRHNGWHLYVKE-LIRRHRJNSA-N 386.456 0.258 0 40 GCAB CN1CCN(c2cc(CNC(=O)c3cn(C)c4c(cnn4C)c3=O)ccn2)CC1 548387703 WVOKQMMAQVFUTQ-UHFFFAOYSA-N 395.467 0.349 0 40 GCAB Cn1ccnc(NC[C@H]2CN(C(=O)c3cnc4c(F)cccc4c3)CCO2)c1=O 566871002 CFDQFNMUDCGANW-HNNXBMFYSA-N 397.410 1.421 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 571025354 OKRUEEHOGKNZPX-DLBZAZTESA-N 387.461 0.692 0 40 GCAB Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4cccnc4)CC[C@H]32)n1 585108715 HNBMGUBDUZMAJW-KZNAEPCWSA-N 383.452 0.823 0 40 GCAB Cn1ncc(C(F)(F)F)c1C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 659765429 XLKMGSDLWFXIAW-VIFPVBQESA-N 388.346 0.977 0 40 GCAB COc1cc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)nc(OC)n1 852704 WCBFKZWIONNTDH-UHFFFAOYSA-N 390.377 0.724 0 40 GCAB CC(C)[C@H](NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(=O)N[C@H](C)C(N)=O 1611508 PDGAIHURTAVSLJ-QAPCUYQASA-O 383.472 0.767 0 40 GCAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 4355599 ORPWHDPCKJWVIC-RWMBFGLXSA-N 384.477 0.517 0 40 GCAB Cn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1ccco1 9713773 OQQZOXLSIDSEAK-UHFFFAOYSA-N 388.409 0.817 0 40 GCAB COC(=O)Cn1c(-c2ccc(OC)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 12663497 ZMECEBCPPJPYCJ-UHFFFAOYSA-N 397.391 0.535 0 40 GCAB biogenic COCCNC(=O)CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 13012608 DKXWJBFCVMWTIN-UHFFFAOYSA-N 395.415 0.975 0 40 GCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCC1=O 16203417 TZZSGWYSTMNBSQ-UHFFFAOYSA-N 382.417 0.267 0 40 GCAB CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)CC)C2 19498850 KQFPLMBLPNMRTQ-AWEZNQCLSA-N 382.486 0.941 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 31649680 BYAOGESRTHWQJS-MRXNPFEDSA-N 382.420 0.865 0 40 GCAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 38828106 CBCVTMOVQZKUQO-ZDUSSCGKSA-N 399.407 0.680 0 40 GCAB CC(C)Cn1ncnc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 95995304 MGVVUKDCTGMSMO-UHFFFAOYSA-N 386.504 0.883 0 40 GCAB O=C(Cn1cnnn1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001396 KJGCAFRRXZXGHV-QGZVFWFLSA-N 383.456 0.009 0 40 GCAB CCOCCOc1ccc(S(=O)(=O)N2CCc3c(nc[nH]c3=O)C2)cc1 96012531 IJYXWQKFHYGZDI-UHFFFAOYSA-N 379.438 0.932 0 40 GCAB COC(=O)[C@H]1C2[C@@H]3[C@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C1(COC(C)=O)C34COC(C)=O 104283514 UGZGXXPIUYOPTJ-DJUXSUIHSA-N 392.404 0.429 0 40 GCAB Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)CC2 238919163 SUVGOUXMUDMHGI-LLVKDONJSA-N 376.438 0.895 0 40 GCAB CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)[C@H]1O 257209671 BRKALCNCJVPBPN-VDERGJSUSA-N 397.439 0.143 0 40 GCAB C[C@@H](C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1)c1cccs1 583621992 GGDJTHQNBAREBQ-OCCSQVGLSA-N 376.482 0.640 0 40 GCAB Cn1cnc([C@@H]2CN(c3cnc(N4CCCC4=O)cn3)C[C@H]2C(=O)NC2CC2)c1 1614995558 CPRBIXRMNXJSAE-HUUCEWRRSA-N 395.467 0.836 0 40 GCAB Cn1nc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)ccc1=O 1888890590 CFGZIVMDRMOJFB-OKILXGFUSA-N 378.436 0.875 0 40 GCAB C[C@H]1CN(C(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 4942243 YJTYJWIMOGPYOX-QWRGUYRKSA-N 378.454 0.360 0 40 GCAB COc1ccc(NC(=O)[C@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 12131375 YKUKRFDVQPRONU-HZPDHXFCSA-N 393.469 0.955 0 40 GCAB C[C@H](OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC2CC2)n1)C(=O)NC1CC1 12623184 GRALTYDTPGFBIN-PHIMTYICSA-N 389.408 0.729 0 40 GCAB Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C)C2)n(-c2nc(C)c(C)c(O)n2)n1 13010622 RTRGNTRELGWJLU-PHIMTYICSA-N 388.428 0.867 0 40 GCAB CON(C)C(=O)CN1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 19578689 YRVJEQXWPRWNLI-MRXNPFEDSA-N 382.442 0.119 0 40 GCAB CN(C(=O)CN1CCCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 24244606 BLHICNGULPHDHJ-SFHVURJKSA-N 379.526 0.840 0 40 GCAB O=C(NC1CC1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 44901516 CYRATPVXURXKQQ-ZDUSSCGKSA-N 393.465 0.339 0 40 GCAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)n1c(=O)n(C)c(=O)n12 45071245 ACGXSQJLMRJFPD-DTORHVGOSA-N 377.011 0.837 0 40 GCAB O=C(NCCN1CCS(=O)(=O)CC1)c1ccccc1OC[C@H]1CCCO1 58420338 PUYFDRHXHKXRHE-OAHLLOKOSA-N 382.482 0.705 0 40 GCAB O=C(Cn1cc(NC(=O)N2CCN(c3nccs3)CC2)cn1)NC1CC1 72309662 DWJAYFIHNKARHN-UHFFFAOYSA-N 375.458 0.972 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1 83882426 KLKHIPUNJWKTRL-AWEZNQCLSA-N 391.453 0.128 0 40 GCAB CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 89331568 SOWXVCDNJVLHRO-WMZOPIPTSA-N 382.482 0.785 0 40 GCAB O=C(CC[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 95477973 WNPALWGQMYJISV-GJZGRUSLSA-N 393.465 0.437 0 40 GCAB O=C(c1ccncn1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96263723 ACXFVQBAXRDIEY-NVXWUHKLSA-N 387.465 0.938 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1[C@@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@H]14)O3)C2 100164457 PLXGPRDBKYTBFE-KSVNGYGVSA-N 384.436 0.153 0 40 GCAB C[C@H](C(=O)NCCCN1CCOCC1)N(c1ccccc1F)S(C)(=O)=O 220311551 NZHSVLQIEHYEFK-CQSZACIVSA-N 387.477 0.819 0 40 GCAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)NC1CCOCC1 225555345 XWOGDEGKGRCNEJ-UHFFFAOYSA-N 382.486 0.961 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CC[C@@]2(C)O)c(O)nc1=O 257267334 MGVMJWXIKFIKLO-DNVCBOLYSA-N 383.408 0.972 0 40 GCAB Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2c[nH]c(O)n2)CCN1C 257335677 YLJGSWMQSNZQQF-OAHLLOKOSA-N 387.440 0.375 0 40 GCAB COc1ccc(CN2CCN(C3=NO[C@@H]4CN(S(C)(=O)=O)C[C@H]34)CC2)cc1 306139792 UAUZORUDDGRWBU-DLBZAZTESA-N 394.497 0.417 0 40 GCAB CS(=O)(=O)C1CN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)C1 650160795 FBYAJTNRRDFGJA-UHFFFAOYSA-N 379.446 0.120 0 40 GCAB CC(C)c1nc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc(O)c1F 1888882284 RMQGVUIZRZUNOA-UHFFFAOYSA-N 384.437 0.689 0 40 GCAB Cc1nc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc(-n2cccn2)n1 2086889367 PAICMGSRIMEQGY-HZPDHXFCSA-N 399.499 0.729 0 40 GCAB C[C@@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 3240261 XUIHSCGYRQEWKG-CHWSQXEVSA-N 384.454 0.730 0 40 GCAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc3nnnn3n2)CC1 8851470 GHOBZFULVVUIJJ-UHFFFAOYSA-N 399.480 0.909 0 40 GCAB O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 12929286 BABWGDZLJOZEGE-UHFFFAOYSA-N 387.527 0.865 0 40 GCAB Cc1ccccc1CN(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 15295290 GEVBMDSWLSUVBV-GOSISDBHSA-N 379.526 0.758 0 40 GCAB Cc1nc([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c(=O)c1C 19555441 BMWQZZKQMZOCLD-AWEZNQCLSA-N 382.486 0.722 0 40 GCAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@@H](C)O[C@H](C)C1 23115105 KUNAYMPXEPXVAB-VXGBXAGGSA-N 388.472 0.412 0 40 GCAB CN(CC(=O)N1CCN(C[C@H]2CCCO2)CC1)S(=O)(=O)c1cccs1 23654430 BFJOXKXSOFAHNQ-CQSZACIVSA-N 387.527 0.692 0 40 GCAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 29883604 PGTMONHGFXJNFO-SUMWQHHRSA-N 391.472 0.979 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 32957843 WYZCWUKFSABBJX-CQSZACIVSA-N 388.511 0.536 0 40 GCAB NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)o2)CC1 35597486 SDOYHMHHXAFVPW-UHFFFAOYSA-N 384.439 0.874 0 40 GCAB C[C@H](C(=O)N[C@@H]1CCCNC1=O)N1C(=O)c2ccc(Br)cc2C1=O 50635171 JUBHJWSGEQKLRX-PRHODGIISA-N 394.225 0.828 0 40 GCAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1 58293448 MBHCTBVTJBAMMX-WDEREUQCSA-N 376.429 0.797 0 40 GCAB CC1(C)O[C@@H]2[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O[C@@H](CO)[C@H]2O1 103032475 SEPUIXHISUZJQX-GUSZCTEKSA-N 387.392 0.905 0 40 GCAB C[C@H](C(=O)N1CCOCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 105695939 OGQYQJOLRJXKLZ-JLTOFOAXSA-N 386.452 0.798 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccccc1O[C@@H]1CCOC1 626437164 VFAQWVPKSOTETI-UONOGXRCSA-N 399.469 0.636 0 40 GCAB CC(=O)N1CC(OCC(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)C1 644307108 OGNPPSGOYBKLPE-UHFFFAOYSA-N 399.436 0.972 0 40 GCAB O=C1NCCCn2cc(nn2)CC2(CCNCC2)C(=O)N[C@@H]1Cc1ccccc1 1615705867 HYOLUHCVQJFPRK-GOSISDBHSA-N 396.495 0.438 0 40 GCAB CCn1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 2806681 HWCWUEQIHDATHQ-ZDUSSCGKSA-N 380.474 0.354 0 40 GCAB COC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(F)cc1 3128689 UXTIOQYFBROIQT-LBPRGKRZSA-N 378.447 0.515 0 40 GCAB COc1ccccc1-n1cnnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 3362409 CHLTVXIBYDPOJL-LLVKDONJSA-N 382.467 0.671 0 40 GCAB CCOC(CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)OCC 5315307 AWNKJVKRUYVHLH-UHFFFAOYSA-N 399.469 0.680 0 40 GCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)NCCc2ccc(Cl)cc2)C1=O 6542090 QVBXIYHWBTVHBD-UHFFFAOYSA-N 381.816 0.872 0 40 GCAB COC(=O)c1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1 6669341 CGOUDORWAOIOPV-SXGWCWSVSA-N 380.429 0.975 0 40 GCAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCOCC3)s2)c1 8588199 XQEPRBSXMBWBMG-UHFFFAOYSA-N 384.439 0.820 0 40 GCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 12366154 BDBXNLCWFMWVQL-IAGOWNOFSA-N 395.525 0.457 0 40 GCAB COc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12914910 FRMKFBWZQCPUCT-CYBMUJFWSA-N 379.438 0.477 0 40 GCAB Cc1cn(CC(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1 19238751 MLDWCZLFCCESPX-CYBMUJFWSA-N 388.453 0.847 0 40 GCAB NC(=O)Cc1ccc(OCc2noc(C(=O)NCCN3CCCCC3)n2)cc1 20737167 TYUZGYCJMSGLLI-UHFFFAOYSA-N 387.440 0.892 0 40 GCAB Cc1ccnc(NC(=O)C2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 40149597 VTKJGMRGHKTVDZ-OAHLLOKOSA-N 394.497 0.344 0 40 GCAB COC[C@@H](C)NC(=O)NC(=O)COC(=O)COc1ccc2ccc(=O)oc2c1 41100076 UTTGFBCGSFNWQU-LLVKDONJSA-N 392.364 0.576 0 40 GCAB COc1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C(=O)O)cc1OC 44667895 NLSJOEVWLWQENC-UHFFFAOYSA-N 383.382 0.640 0 40 GCAB CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 58122127 OJRKOEJZPLNOPX-OAHLLOKOSA-N 388.534 0.654 0 40 GCAB COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1c(O)nc2ccccn2c1=O 96114616 YJGIREFPDYGOHJ-AWEZNQCLSA-N 397.387 0.959 0 40 GCAB biogenic Cc1nonc1CNC(=O)[C@@H]1CN(C(=O)Cn2ccc3ccccc32)CCN1C 257266590 MDQMRYORSIWRPR-SFHVURJKSA-N 396.451 0.792 0 40 GCAB Cc1cccc(CN2CC[C@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)n1 306129943 IRKQBPSVLJRZCF-FQEVSTJZSA-N 385.468 0.939 0 40 GCAB COc1ccc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)cc1C(N)=O 575618416 MYBFRRHRNNSAMK-UHFFFAOYSA-N 388.409 0.248 0 40 GCAB C[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1nc2c(cc1=O)CCC2 585150303 KBWKWSMPYABARV-CQSZACIVSA-N 383.452 0.841 0 40 GCAB Cc1noc(COC2CN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)C2)n1 644405182 UKXOBXPWKZOZAV-ZDUSSCGKSA-N 375.433 0.691 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccnn2C2CCCC2)CCO1 653552897 MHBRUSDYKLKLJT-OAHLLOKOSA-N 378.429 0.772 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3cc(C)nc4ncnn34)CC2)n1 1889175218 HFZILEBYBOPKLA-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB COC(=O)COCCOC(=O)c1ccc(C(=O)OCCOCC(=O)OC)cc1 2061000988 STWWQQJEBUXNJR-UHFFFAOYSA-N 398.364 0.379 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)CN1CCCCC1 894417 SNBDALSYFHJRJA-AWEZNQCLSA-N 390.488 0.260 0 40 GCAB COc1ccc2c(c1)CCCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 9803638 NAPJILCQAZFTEV-UHFFFAOYSA-N 383.408 0.422 0 40 GCAB COC(=O)c1sccc1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 10914913 ALBZIQNZGCSOFK-UHFFFAOYSA-N 399.450 0.585 0 40 GCAB CCOC(=O)CNC(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 12315255 VBSNQJIZUKOHFG-AWEZNQCLSA-N 380.489 0.714 0 40 GCAB Cc1cccc([C@@H]2CN(S(=O)(=O)N3CCOCC3)C[C@]23CCCC(=O)N3)n1 19236374 OQTKAMDGTBJQNP-MAUKXSAKSA-N 394.497 0.405 0 40 GCAB COc1cc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)cc(OC)c1OC 20673430 HIPJMHXPXRNEOC-SNVBAGLBSA-N 381.414 0.522 0 40 GCAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(C)CC2)cc1 22935491 QAQIDBOOAIKGNK-IRXDYDNUSA-N 386.539 0.436 0 40 GCAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23989973 ZSKZBPSLGHXYED-QGZVFWFLSA-N 391.493 0.758 0 40 GCAB Cn1cnnc1C1CCN(CN2C(=O)C(=O)c3cc4c(cc32)OCCO4)CC1 24657164 MEIPNCACLKDQLL-UHFFFAOYSA-N 383.408 0.953 0 40 GCAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN3C(=O)CNC3=O)cc12 28297119 MTELRKAINVBROJ-GFCCVEGCSA-N 389.408 0.955 0 40 GCAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCC(C(N)=O)CC2)n1 40389112 PRZOZALCEFQBND-UHFFFAOYSA-N 399.455 0.074 0 40 GCAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(N2CCOCC2)nc1 106859218 WBICEMNIRUXJAL-RPLLJCPNSA-N 382.420 0.664 0 40 GCAB Cc1cc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)n2ncnc2n1 498892214 OXXLOQYPAJCGBK-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB Cc1nccnc1N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)CC1 647504809 QYSKMYDFYNUOBH-JSGCOSHPSA-N 375.429 0.003 0 40 GCAB COc1ccc(C(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC 3251623 BAYSXTFEEJGJHO-UHFFFAOYSA-N 390.421 0.953 0 40 GCAB COCCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@H]2CS(=O)(=O)C[C@@H]21 9305974 QOXKWRHKQRJNHW-STQMWFEESA-N 384.479 0.677 0 40 GCAB CCOC(=O)C1CCN(C(=O)C(=O)NCc2n[nH]c(=O)c3ccccc23)CC1 9623269 GTOHNUYVGCZCSX-UHFFFAOYSA-N 386.408 0.341 0 40 GCAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 14201069 RZBWZZJXYXHVMR-VIFPVBQESA-N 376.438 0.988 0 40 GCAB COc1cc2ncn(CC(=O)NCCC(=O)NC(C)C)c(=O)c2cc1OC 20762631 CLPUQKUEIZAYTQ-UHFFFAOYSA-N 376.413 0.445 0 40 GCAB biogenic CN(C)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 32883910 RWEWXMKKZKCTJU-LBPRGKRZSA-N 379.442 0.252 0 40 GCAB CN1[C@@H](CCC(=O)N2CCCC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1csnn1 35442392 SDYLAUCJQCMFEI-UXLLHSPISA-N 392.529 0.314 0 40 GCAB biogenic,in-vitro NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102671232 XEZOXSJTYYFYCP-OKILXGFUSA-N 379.438 0.838 0 40 GCAB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408651320 ATIBUXGRTDBRFJ-YDOWWZDFSA-N 384.388 0.984 0 40 GCAB Cc1ccc(OC[C@@]2(O)COCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc1 585281868 DCMNHPCVPKYZDL-IBGZPJMESA-N 398.525 0.861 0 40 GCAB Cn1c(N2C[C@H]3CN(S(=O)(=O)N4CCOCC4)C[C@H]3C2)nc2ccccc21 1888897264 GUZLWYWEZLIIQN-GASCZTMLSA-N 391.497 0.518 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)NC5CCOCC5)C[C@@H]4C3)nn12 2087022435 UPKQUPZVOATGKJ-KBPBESRZSA-N 385.472 0.943 0 40 GCAB COc1ccccc1-n1c(C)nnc1SCC(=O)O[C@H](C)C(=O)NC(N)=O 3399548 JLXHNPNKBOBOPS-SECBINFHSA-N 393.425 0.803 0 40 GCAB CN(CC(=O)N1CCC[C@@H](c2n[nH]c3ncccc23)C1)[C@@H]1CCS(=O)(=O)C1 12221351 SKXUAUCCUFVPRD-ZIAGYGMSSA-N 391.497 0.783 0 40 GCAB CCOC(=O)/C(C/C(C(=O)OCC)=C1/NC(=O)CS1)=C1/NC(=O)CS1 13150281 DSWANLUJORPLSI-QRBCZBMESA-N 386.451 0.652 0 40 GCAB CC(=O)N1CCN(C(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)CC1 16849625 MPQLKWXONYNONM-UHFFFAOYSA-N 386.456 0.504 0 40 GCAB O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1ccnc(N3CCCC3)n1)C2 19404062 ZUIXXSODJOMIQS-UHFFFAOYSA-N 397.483 0.555 0 40 GCAB Cn1cnn(CN(CCN2CCOCC2)Cn2ncn(C)c2=S)c1=S 22038471 DUNYIHRBOTVISJ-UHFFFAOYSA-N 384.535 0.465 0 40 GCAB CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)N1CCN(S(C)(=O)=O)CC1 22520066 ZINOASNKGIIFAU-UHFFFAOYSA-N 397.453 0.214 0 40 GCAB CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 49549366 ODVHJLYRQUKMIC-ZDUSSCGKSA-N 393.490 0.936 0 40 GCAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H]1CS(=O)(=O)c2ccccc21 238901057 KRCRFRLPVQRJKG-GYXFDVGMSA-N 386.429 0.438 0 40 GCAB CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 256007922 VWVKUNOPTJGDOB-YHINDDMVSA-N 386.444 0.997 0 40 GCAB O=C(O)C1CCN(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCCOC3)CC2)CC1 548226053 KGIRJHXYBWZQPH-CQSZACIVSA-N 389.474 0.029 0 40 GCAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1ccn(CCOC)n1)CC2 585096306 HJZLMIXCGLBCTH-CYBMUJFWSA-N 390.444 0.319 0 40 GCAB Cn1cnc(C(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 585282893 IXOZYFVCYVDHBH-GOSISDBHSA-N 376.388 0.725 0 40 GCAB Nc1ncnc2c1ncn2CCC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 611680433 KDSLRMRLMUJVAH-HXUWFJFHSA-N 395.467 0.552 0 40 GCAB NCCn1cc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)nn1 662820751 BRZYNMMJXWMOTB-UHFFFAOYSA-N 393.289 0.957 0 40 GCAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)Cn1ccnn1 1637559603 IREMDFIPCBYKNV-YJBOKZPZSA-N 398.467 0.620 0 40 GCAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 4800340 JHIZUMWZXMVAJS-CYBMUJFWSA-N 380.495 0.801 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 4985379 WAHJKRPBCCJXTF-UHFFFAOYSA-N 392.389 0.901 0 40 GCAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7155604 IAUCIVKRQFHAIB-SECBINFHSA-N 390.845 0.733 0 40 GCAB COC[C@@H](C)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 11844997 HTPVVEYNJDNODB-CYBMUJFWSA-N 384.436 0.852 0 40 GCAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 28681302 BDRYJKCDZWWRFL-XQQFMLRXSA-N 392.408 0.713 0 40 GCAB CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)CCCNC1=O 31160860 QWWUZAJFCIZIIQ-QLFBSQMISA-N 383.489 0.890 0 40 GCAB biogenic,in-vitro Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 40268093 ORAXGVLNCWRXIX-UHFFFAOYSA-N 380.364 0.954 0 40 GCAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1)c1cnn(C)c1 95960206 BYJHEHVVVHRCBH-INIZCTEOSA-N 381.440 0.963 0 40 GCAB CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]12 100467202 CHPHKXXDQSHQKC-QARKVSRYSA-N 382.808 0.616 0 40 GCAB Cc1nc(CN2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)no1 106423483 COUJIPYGKWPGRU-UHFFFAOYSA-N 382.424 0.741 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cnccn3)CC2)CC1 257282961 OWAYIJKNBGCETB-IBGZPJMESA-N 375.473 0.434 0 40 GCAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408594120 SHKXGSYAQCHIGM-ONNFQVAWSA-N 398.755 0.878 0 40 GCAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccccn2)C1 585285817 UGVJJALTFUGXNI-RBUKOAKNSA-N 391.493 0.400 0 40 GCAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cc(=O)n(C)c(O)n2)CC1 1775967167 HXYBIZNZENAMFJ-UHFFFAOYSA-N 398.872 0.959 0 40 GCAB CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)[C@@H]1CN(C)C2 2055795886 OETHVSSMMWNPOX-KBXCAEBGSA-N 395.529 0.279 0 40 GCAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4370384 INQCSFUYNUGKEQ-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@@H]1c1ccccc1 5235729 WMDAFCBUXSVBMG-IVOILVROSA-N 386.429 0.923 0 40 GCAB Cc1nn(S(=O)(=O)c2cccs2)c(C)c1S(=O)(=O)N1CCOCC1 8755044 PYXNXUDKNUMBRI-UHFFFAOYSA-N 391.496 0.819 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnnn2Cc2cccs2)C1=O 8756380 PTZQBRROUHWDFN-CQSZACIVSA-N 395.470 0.627 0 40 GCAB O=C(NCCO)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974138 AJUGKJVZPWPOAY-NSHDSACASA-N 391.287 0.958 0 40 GCAB Cn1c(=O)c2c(ncn2C[C@@H](O)CO[C@@H]2CCCc3ccccc32)n(C)c1=O 12580389 CVXKXDSVUNURPG-GDBMZVCRSA-N 384.436 0.889 0 40 GCAB Cn1ncc2c(N3CCN(CC(=O)NC(=O)NC4CCCC4)CC3)ncnc21 12982322 PSYBJHYYPWXKST-UHFFFAOYSA-N 386.460 0.254 0 40 GCAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CS2 15940939 SODPXAXYPJOXSX-CJNGLKHVSA-N 383.495 0.447 0 40 GCAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1 16362341 LSCVIEKLYNGLRQ-UHFFFAOYSA-N 382.399 0.917 0 40 GCAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCCN3CCNCC3)C2=O)cc1 19367111 WJQZXMLQIUJINF-DTQAZKPQSA-N 387.440 0.047 0 40 GCAB COCC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 20745491 QPCXOWGPXVSRHB-LLVKDONJSA-N 387.358 0.937 0 40 GCAB C[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)NC(=O)NC1CC1 25957187 ZFSSSFIGYGDURT-VIFPVBQESA-N 392.441 0.882 0 40 GCAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCN1CCOCC1 28207576 SFGCGLVCMHOUHK-UHFFFAOYSA-N 385.486 0.073 0 40 GCAB CC(C)NS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772685 IQHUKEBTVRAIMH-ZDUSSCGKSA-N 381.497 0.334 0 40 GCAB COCCCNC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 49550154 HDHBAEIJVRXKRX-UHFFFAOYSA-N 379.804 0.839 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c1 58158748 PIXOMWTYSPVMEG-UHFFFAOYSA-N 390.465 0.800 0 40 GCAB NC(=O)COC1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 66467028 GOLGYWVOXQCGPW-UHFFFAOYSA-N 382.486 0.727 0 40 GCAB O=C1NC2(CCN(C(=O)c3ccncn3)CC2)[C@@H]2CN(c3ncccn3)C[C@H]12 96262189 RLHGDDWWMDKACS-UONOGXRCSA-N 379.424 0.124 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 97513164 PSJHYIDFSOFQLZ-UHFFFAOYSA-N 397.208 0.559 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnn3)C2)cc1 225420729 UYLZSNUAYQWRPN-ZDUSSCGKSA-N 378.410 0.183 0 40 GCAB Cc1nonc1CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 248018801 LLGMRCDAFLBVQV-JEWRLFTDSA-N 381.392 0.371 0 40 GCAB C[C@@]1(C[C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[nH]2)NC(=O)NC1=O 502124035 NGSVFWDPWYPDOY-UHLUBPPHSA-N 389.338 0.486 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@H](OCCO)c2ccsc2)CC1 575621457 OLSKAFLMDLQPAC-AWEZNQCLSA-N 376.500 0.586 0 40 GCAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Cn1cnc3ccccc3c1=O)C2 585150296 LMMIALUEPBOOGE-AWEZNQCLSA-N 378.436 0.926 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc(N)s2)CCO1 585282907 IZKWUMFZZQYRTL-QGZVFWFLSA-N 394.428 1.030 0 40 GCAB C/C=C(\C)C(=O)N1CCC2(CC1)CN(C(=O)CCc1cnn(C)n1)CCO2 1615611616 NSXPVRAGDLUNLS-SYZQJQIISA-N 375.473 0.934 0 40 GCAB CN(C(=O)c1cn[nH]c1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775972781 VNYPWBAOROVPHV-UHFFFAOYSA-N 375.396 0.870 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)/C=C/c2cccc(Cl)c2)c(=O)n(C)c1=O 3361416 JOOGKNYWOHAIOZ-VOTSOKGWSA-N 377.784 0.759 0 40 GCAB CCN(C(=O)COC(=O)c1ccccc1NCCO)[C@@H]1CCS(=O)(=O)C1 5278629 WOVWQVPRRBPILW-CYBMUJFWSA-N 384.454 0.283 0 40 GCAB O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 8748486 BGKZLPGZDWAXQK-UHFFFAOYSA-N 380.832 0.875 0 40 GCAB CCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n[nH]c1=O 8943068 AAOWRMAIQUUHID-UHFFFAOYSA-N 379.442 0.651 0 40 GCAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)O 12923957 ZAERURJHNPAFSW-UHFFFAOYSA-N 393.421 0.997 0 40 GCAB Cn1c(=O)c2c(-c3ccc(Br)cc3)n(CC(N)=O)cc2n(C)c1=O 13495618 CABOTJVCMHCWHJ-UHFFFAOYSA-N 391.225 0.954 0 40 GCAB CCOC(=O)CSCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 16583047 HERLZVAFJDBZPH-UHFFFAOYSA-N 391.449 0.657 0 40 GCAB CN1C(=O)C(=O)N(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O 23256867 GZPCNPGAUSYTOF-UHFFFAOYSA-N 393.831 0.274 0 40 GCAB CC[C@@](C)(CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)N1CCOCC1 31924830 WAIKLCUWYUACSX-XLIONFOSSA-N 387.484 0.724 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@@H](C)O1 40039973 KDQIGCMFSIUNDJ-TXEJJXNPSA-N 377.488 0.502 0 40 GCAB COC(=O)CNC(=O)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1 44586208 MTOYASJPUBLMBU-UHFFFAOYSA-N 381.392 0.902 0 40 GCAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 45958019 RLHHHHBCRKIQIK-AWEZNQCLSA-N 395.481 0.684 0 40 GCAB Cc1cc(NC(=O)CCN2C(=O)N[C@@](C)(c3cccc(C(N)=O)c3)C2=O)no1 58299093 YPYIEUOTTMHNKT-SFHVURJKSA-N 385.380 0.878 0 40 GCAB O=C(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1 59374088 SYNFFAJHQCUZJS-UHFFFAOYSA-N 381.498 0.383 0 40 GCAB CCOC(=O)C1CCN(S(=O)(=O)NCc2cccnc2-n2cccn2)CC1 69619989 SXCJSCABTMDPES-UHFFFAOYSA-N 393.469 0.877 0 40 GCAB COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 72245337 HENWXJWQIKSJNL-NKMFSUHESA-N 392.408 0.434 0 40 GCAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2ncn[nH]2)cc1 222665585 OCYRHEDMDUSDGX-UHFFFAOYSA-N 399.498 0.780 0 40 GCAB CCOC(=O)CN(c1ccc(Cc2nc(C)cc(=O)[nH]2)cc1)S(C)(=O)=O 226106546 TUKVSJRVLLSDRW-UHFFFAOYSA-N 379.438 0.998 0 40 GCAB COCCNC(=O)c1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1C 408621679 LWGVUCURIJYILK-UHFFFAOYSA-N 399.513 0.372 0 40 GCAB CC(C)CCc1nnc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)s1 626605386 QCHWSMVKLAMENQ-LLVKDONJSA-N 391.519 0.909 0 40 GCAB COCCCOCC(=O)NC[C@@]1(C)CN(CC(=O)NCC2CCC2)CCO1 1615610989 SVFCPCNBXIZEJA-IBGZPJMESA-N 385.505 0.163 0 40 GCAB CN1CC[C@H](C(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccnc4)C[C@]3(C)C2)C1 1616033389 OFVRTPVORFVITC-DAYGRLMNSA-N 378.498 0.502 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](COc3ncccn3)C2)CC1 1775995002 FUOXSDBMCYHJGM-CQSZACIVSA-N 382.486 0.766 0 40 GCAB CCc1ccc(C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6371082 DBSMSOUBHWBVPR-GFCCVEGCSA-N 398.419 0.811 0 40 GCAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCO)cc1O2 13736204 YVVRJJCIFQQGQO-UHFFFAOYSA-N 376.409 0.520 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 15971777 QVYSYXNAPWSMPT-UKJHCGGJSA-N 375.400 0.727 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)C[C@@H](C)O1 22411017 LNQLXXCYNLSBSM-IYBDPMFKSA-N 375.535 0.965 0 40 GCAB CCOC(=O)c1ccccc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 23299854 AWOCCTOLYNFKFR-UHFFFAOYSA-N 388.468 0.698 0 40 GCAB COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)cc1S(N)(=O)=O 40043325 JWMZOUUWAKBYTQ-UHFFFAOYSA-N 391.405 0.802 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102671236 XEZOXSJTYYFYCP-KBPBESRZSA-N 379.438 0.838 0 40 GCAB Cc1cc(C(=O)N2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)no1 253476753 BETBKSWGKALOAF-GFCCVEGCSA-N 378.410 0.481 0 40 GCAB COCCN1C[C@]23CN(C(=O)c4cc(C5CC5)on4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565548649 GTRJISYQUXISJJ-ISTRZQFTSA-N 397.453 0.196 0 40 GCAB COCCOCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)OC)C1 1615058747 WALCNKSYAHFONH-CABCVRRESA-N 385.461 0.235 0 40 GCAB CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O 1323255 DZYBRGUNKNPEKM-BBIVZNJYSA-N 391.037 0.301 0 40 GCAB biogenic,in-vitro COCCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007689 RVIMKAPLYMKDLH-UHFFFAOYSA-N 387.436 0.836 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1cccs1 5039118 QREFWUGNGHKUBJ-UHFFFAOYSA-N 384.435 0.877 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/C(=O)NC3CC3)CC2)cc1 8034851 NAJDDODIVFIIII-CMDGGOBGSA-N 377.466 0.663 0 40 GCAB C[C@H](OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(=O)N1CCNC1=O 8171016 HEIUCEKYGKIJMS-JTQLQIEISA-N 381.410 0.106 0 40 GCAB COc1ccccc1OCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12766672 KMXDCZJMXOBHEU-UHFFFAOYSA-N 384.392 0.450 0 40 GCAB O=c1n(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2ccccn12 12893690 CBRKLOWFEWQZNG-UHFFFAOYSA-N 391.428 0.599 0 40 GCAB COc1ccc(CNC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13534766 CGCGWUQPWDHXOB-UHFFFAOYSA-N 382.428 0.799 0 40 GCAB CCOC(=O)c1ccc(S(=O)(=O)NCCCc2c(C)[nH]c(N)nc2=O)cc1 17039757 HEWCTVNARQXXDF-UHFFFAOYSA-N 394.453 0.748 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2CCNC2=O)C(C)C)cc1 18409212 KIXIOQBJRHYYBB-HNNXBMFYSA-N 397.453 0.393 0 40 GCAB Cc1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)s1 19716039 MKSDHTXZBIOCKT-UHFFFAOYSA-N 394.544 0.407 0 40 GCAB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)N1CCNC1=O 21742753 XGESCRITRMRRTH-UHFFFAOYSA-N 395.437 0.250 0 40 GCAB CCCn1c(=O)n(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)c2ccccc21 22281656 XVXQSIIZZYGTCH-UHFFFAOYSA-N 399.451 0.804 0 40 GCAB C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc(S(N)(=O)=O)cc1 23481529 HOBQJCLKISEIGY-LLVKDONJSA-N 377.422 0.689 0 40 GCAB COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@H]2CS(=O)(=O)C[C@@H]21 32639822 ADXQAJNRXXOCJP-AAEUAGOBSA-N 383.495 0.858 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 32836274 CBOODCODPHPWKR-INIZCTEOSA-N 398.548 0.613 0 40 GCAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2N2CCN(C)CC2)cc1 36593005 QAQIDBOOAIKGNK-SJORKVTESA-N 386.539 0.436 0 40 GCAB Cc1ccccc1OCC(=O)N1Cc2cncn2[C@H](CNS(C)(=O)=O)C1 247999180 CJVMGSUITKFJCT-OAHLLOKOSA-N 378.454 0.703 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)nc2C)CCN1CCc1ccccc1 257249509 JIRSLUJOFQIVPQ-SFHVURJKSA-N 384.484 0.396 0 40 GCAB C[C@@]1(O)CCN(C(=O)Cn2cnc3ccccc32)C[C@H]1n1ccc(O)nc1=O 257334634 YGSWBVHNNBVGFR-DNVCBOLYSA-N 383.408 0.523 0 40 GCAB CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1)CC2 644456892 YOHHTXJPIOZTAL-IFXJQAMLSA-N 392.504 0.731 0 40 GCAB CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@H](C(=O)NCc2cccs2)C1 1565546063 RUQCGMFZWWCOIK-CQSZACIVSA-N 390.513 0.955 0 40 GCAB CC(C)N(C)CC(=O)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1614931808 IVQGTLLLWRTQJG-QFBILLFUSA-N 378.473 0.360 0 40 GCAB O=S(=O)(N1CCOCC1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888903787 BCEXFGOEPMAUSF-XJKSGUPXSA-N 386.449 0.674 0 40 GCAB COCCn1cnc2c(N3CCN(c4ncnc5c4ncn5C)CC3)ncnc21 1888926506 ZXPNOVCHGLAUGI-UHFFFAOYSA-N 394.443 0.476 0 40 GCAB Cn1nc(COc2cccnc2)c2c1CCN(C(=O)CCS(C)(=O)=O)C2 2055713686 YMLUSMKZFSTYMA-UHFFFAOYSA-N 378.454 0.714 0 40 GCAB CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C 880938 CQHQKEUPUIMANL-LLVKDONJSA-N 395.485 0.231 0 40 GCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCN1c1ccc(Cl)cc1 4370787 HLVLHYIRAYSJEB-UHFFFAOYSA-N 375.772 0.786 0 40 GCAB C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 4475323 RIRGCFBBHQEQQH-LNEKFLOWSA-N 385.424 0.481 0 40 GCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC 8769418 CKVGILSCKDWRRQ-UHFFFAOYSA-N 383.426 0.409 0 40 GCAB Cc1ccc2c(c1)CN(C(=O)Cn1ccc(=O)[nH]c1=O)CC1(CCN(C)CC1)O2 12365218 IHZZRRNQVGDQNH-UHFFFAOYSA-N 398.463 0.731 0 40 GCAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCCO)C(=O)[C@@H]1C2 12902033 BQIUWHXYFIWBAU-AWEZNQCLSA-N 391.424 0.281 0 40 GCAB biogenic Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O 14111718 KNDNSSFQTCYKGY-UHFFFAOYSA-N 395.213 0.362 0 40 GCAB COC(=O)[C@@H](CN1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H](O)c1ccncc1 22922017 JMTXEBRTWXUXRZ-WMZOPIPTSA-N 392.500 0.437 0 40 GCAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40079704 JBLTYRKOLSLPOV-QZTJIDSGSA-N 395.525 0.818 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1 44565892 UMPCTSQVSNFSFQ-UHFFFAOYSA-N 390.465 0.544 0 40 GCAB Cc1csc(=O)n1CCC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48312887 ZWCSUJOPWRVRSB-UHFFFAOYSA-N 377.470 0.763 0 40 GCAB Cn1c(=O)c2c(ncn2CCOC(=O)Cc2cccc(F)c2F)n(C)c1=O 89745345 RTWBIMLSFFLMHK-UHFFFAOYSA-N 378.335 0.498 0 40 GCAB COc1cccc(NC(=O)CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1 95962962 OPXZKPBIFZNCBS-INIZCTEOSA-N 381.498 0.875 0 40 GCAB COc1nccnc1O[C@@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 225493317 FAEAQOKTWQJLHK-CQSZACIVSA-N 398.485 0.527 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 408625585 SXQQIUODPKIUJW-LBPRGKRZSA-N 383.470 0.476 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccnc2-c2cnccn2)CC1 575609148 JRBODFJBDXIJKP-UHFFFAOYSA-N 378.458 0.128 0 40 GCAB O=C(NCc1nc[nH]n1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 585138369 KMRVGWKBJHGANS-LLVKDONJSA-N 399.498 0.722 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@]3(OCCO)CCSC3)cc21 1565520506 WVJJBTSFSWSFOJ-OAHLLOKOSA-N 388.467 0.294 0 40 GCAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(C(C)C)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242069 CPGKCFBXQUOMAS-JYJNAYRXSA-N 379.505 0.282 0 40 GCAB CCOCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243285 XOAVBOAUTXSTEV-AWEZNQCLSA-N 393.465 0.467 0 40 GCAB CC1(C)S[C@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 3831539 OHKOGUYZJXTSFX-HNBLOZHYSA-N 384.435 0.548 0 40 GCAB O=C(Cn1nnc2ccccc21)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12181494 WJSKPZGVNYHTPC-UHFFFAOYSA-N 379.424 0.700 0 40 GCAB CC(C)(C)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 12549826 ZGRJUNSHNMISJF-UHFFFAOYSA-N 384.454 0.943 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1C(N)=O 12734444 YRYDAMRMOZONHM-CYBMUJFWSA-N 380.470 0.313 0 40 GCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19402451 XKZYIVYZQNBVPK-WFASDCNBSA-N 388.449 0.930 0 40 GCAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2cccs2)c2cccn2C)CC1 21156797 NTJPXSJSXKKCSV-KRWDZBQOSA-N 389.525 0.808 0 40 GCAB COc1ccc(CN2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1F 22357564 HRZSRFSQMSBTBD-UHFFFAOYSA-N 376.432 0.550 0 40 GCAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1)C1CC1 25594601 VWEFUIQVSXGYSZ-BXUZGUMPSA-N 386.495 0.680 0 40 GCAB C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 27105435 RIRGCFBBHQEQQH-OZASHDCVSA-N 385.424 0.481 0 40 GCAB biogenic,in-vitro O=S1(=O)CC[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 32679541 OEZBWZMRWWZMIC-MRXNPFEDSA-N 384.523 0.669 0 40 GCAB CCN(C(=O)[C@H](C)N1CCN(Cc2cc(C)no2)CC1)[C@@H]1CCS(=O)(=O)C1 32843196 RLUFWQDIMTVWKG-JKSUJKDBSA-N 398.529 0.525 0 40 GCAB COc1ccc([C@H](CC(=O)N2CCC3(CC2)NC(=O)NC3=O)NC(C)=O)cc1 32881969 CAXJXRCMXWLJGY-HNNXBMFYSA-N 388.424 0.463 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 36813711 KPCNENIYXUKOBR-CQSZACIVSA-N 396.513 0.267 0 40 GCAB COc1ccc(CC(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)cc1OC 70999157 MRDWBDZYGCHYJA-UHFFFAOYSA-N 382.380 0.960 0 40 GCAB CN1CCc2cc([C@@H](O)CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)ccc21 96362973 FIQUCOHVXOVKPO-KRWDZBQOSA-N 397.431 0.874 0 40 GCAB CNS(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 585139380 QPCYSRWWBKQVMY-UHFFFAOYSA-N 381.502 0.006 0 40 GCAB COc1ncccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O 604381659 JRXQDJKLIFHKMM-GRLWTPEZSA-N 377.441 0.134 0 40 GCAB biogenic,in-vitro C[C@]1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)COc2ccccc2O1 623511934 MMWXXBKHYRZAAL-KBXCAEBGSA-N 380.466 0.548 0 40 GCAB O=C(CCO)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@@H]2C1 1549160512 FVYRQOUBJMSXMD-AWEZNQCLSA-N 378.404 0.605 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 1565552682 SKCKKGXRTKUKJR-GOSISDBHSA-N 379.482 0.857 0 40 GCAB O=C(c1csnn1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 1614927334 JCRFXYUGPIDNMM-INIZCTEOSA-N 375.410 0.208 0 40 GCAB O=S(=O)(c1cnc[nH]1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888914272 VQFJTOJPIBFMNN-LLVKDONJSA-N 389.441 0.814 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CC(Oc2ccnc(C(N)=O)c2)C1 1889213716 YOBKOUFSAZBKOI-UHFFFAOYSA-N 381.385 0.780 0 40 GCAB CS(=O)(=O)CCC(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 2055746474 LCUAOTMQGXWSIH-NWANDNLSSA-N 384.454 0.337 0 40 GCAB Cc1cccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C 3280755 GEMGMGJCFSAUBG-UHFFFAOYSA-N 375.381 0.088 0 40 GCAB COC(=O)C[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC 6640061 AXQDYRNYPVQJIH-XQQFMLRXSA-N 393.465 0.247 0 40 GCAB biogenic CNC(=O)c1nnsc1Sc1c(C(=O)NC)nnn1-c1ccccc1 8694862 NOTUWRUNLZLNQY-UHFFFAOYSA-N 375.439 0.989 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 12131452 UKMFUUHRFLSSCR-UONOGXRCSA-N 383.499 0.686 0 40 GCAB COc1cccc(N2C[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC2=O)c1 12321458 WNLIGHONVFRNQK-CYBMUJFWSA-N 381.454 0.152 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)n1 19131031 BLOJTKNVYNWVHO-FQEVSTJZSA-N 382.420 0.735 0 40 GCAB CSc1nc2nc(C)c(CC(=O)OCC(=O)NC(=O)NC(C)C)c(C)n2n1 19614785 KSPJTWWWIFHGTJ-UHFFFAOYSA-N 394.457 0.783 0 40 GCAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c1 22230047 NAOVEMCILXYZIH-MRXNPFEDSA-N 381.498 0.931 0 40 GCAB C[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 24772394 VSWCUAISMDYQSS-ZCFIWIBFSA-N 394.844 0.954 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)nsc1N)[C@@H]1CCS(=O)(=O)C1 25066775 FCQFTFNHZCQJPA-VHSXEESVSA-N 375.472 0.615 0 40 GCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCN(C)C)cc1C 32536517 FTZZGCNWXAUAGM-HOCLYGCPSA-N 390.527 0.094 0 40 GCAB CN(C)CCCNC(=O)C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 36589706 RYIIUEAEPJSFGQ-CYBMUJFWSA-N 376.413 0.498 0 40 GCAB CC(=O)Nc1cccc(NC(=O)C[C@@H](CN2CCN(C(C)=O)CC2)C(=O)O)c1 72406396 LURWRWSOTWUXQV-HNNXBMFYSA-N 390.440 0.839 0 40 GCAB O=C(COc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1)N1CCCC1 257273834 NIKXATUGNBJZTN-PMACEKPBSA-N 389.496 0.565 0 40 GCAB COC(=O)c1ccc(C(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 390830913 OGZNLOVWUMJWKX-INIZCTEOSA-N 380.466 0.855 0 40 GCAB CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)cc1 582225586 CQPPKZJEENUJBA-ZDUSSCGKSA-N 377.440 0.344 0 40 GCAB CCn1ccnc1CN1CCCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 592187563 COLKJFMBDYSCRG-MRXNPFEDSA-N 390.532 0.523 0 40 GCAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCN(S(C)(=O)=O)[C@H](C)C1 656762489 DDRWOFZBIHZKTP-CHWSQXEVSA-N 383.470 0.355 0 40 GCAB CN1CCN(CCN2CCCC2)C(=O)C12CCN(C(=O)c1csnn1)CC2 1565552445 UNEFXMXHXDFYKX-UHFFFAOYSA-N 392.529 0.383 0 40 GCAB O=C(O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 3985178 PWSZFHTYRLIZEO-HOTGVXAUSA-N 397.387 0.035 0 40 GCAB biogenic CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccncc3)c(=O)n1C2 4236535 RVWGVNSRKLHWPX-GXTWGEPZSA-N 388.449 0.874 0 40 GCAB biogenic,in-vitro CCn1c(SCC(=O)N[C@H](C)COC)nc2cc(S(N)(=O)=O)ccc21 5083491 MXYDSKFUPQYDFF-SNVBAGLBSA-N 386.499 0.947 0 40 GCAB Cn1c(Cc2cccs2)nnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 5579522 IMCDZUGYTQTZDH-SNVBAGLBSA-N 386.524 0.863 0 40 GCAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 6098687 ZVIAQMARUKGWJD-LBPRGKRZSA-N 381.483 0.675 0 40 GCAB CCn1c(CCC(=O)O[C@H](C)C(N)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 8725575 QDJZPYJEBKEGOF-LLVKDONJSA-N 396.469 0.656 0 40 GCAB CCOC(=O)C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849381 BSMVKRMLVCLSPG-UHFFFAOYSA-N 399.386 0.561 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1 13042276 RHZCCJXLBHVZJS-AWEZNQCLSA-N 396.513 0.853 0 40 GCAB Cc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1C 14121404 MAIGOZHYQPZJCQ-UHFFFAOYSA-N 386.496 0.800 0 40 GCAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CNC(C)=O)C3)c2N)cc1 19021249 FGSRGJUBAQEWCK-ZDUSSCGKSA-N 385.424 0.630 0 40 GCAB Cc1ccc(C)c(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)N(C)C)c1 20244952 DIONEVJWPLXBSN-UHFFFAOYSA-N 398.529 0.365 0 40 GCAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 21615661 SSUMAMDIYWUCCA-SSDOTTSWSA-N 392.466 0.876 0 40 GCAB CC(=O)N1CCc2cc(NC(=O)CN3CCCN(S(C)(=O)=O)CC3)ccc21 24924029 LDAUINOLWDNCMW-UHFFFAOYSA-N 394.497 0.501 0 40 GCAB Cc1c(C(=O)NC(C(N)=O)C(N)=O)cnn1-c1ccc(Br)cc1 24926721 XIZDJNWWXCULKE-UHFFFAOYSA-N 380.202 0.012 0 40 GCAB CNC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)NC)[C@H]1c1ccc(Br)cc1 36556748 VVHUDXYAOJMQET-ZOMKSWQUSA-N 397.269 0.981 0 40 GCAB CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(C(=O)c4cccnc4)CC2)[C@@H]3C1=O 72389439 GOYOXEZNFXTNQR-KYFSNAEOSA-N 381.432 0.915 0 40 GCAB COc1ccc(-c2ccc(=O)n(CN3CCN(S(C)(=O)=O)CC3)n2)c(F)c1 79476738 LJYDRGGGXBQAES-UHFFFAOYSA-N 396.444 0.593 0 40 GCAB O=S1(=O)C[C@@H](N(Cc2ccco2)C[C@@H](O)COc2ccccc2)[C@@H](O)C1 95442046 JEGIETFLTDYQSB-OLMNPRSZSA-N 381.450 0.679 0 40 GCAB COCC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 96113311 ZFHXJXJGPFCYST-IAGOWNOFSA-N 390.484 0.820 0 40 GCAB biogenic,in-vitro COc1ccc(OC[C@@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 97455816 VLEGRVOUPLXDMN-HOTGVXAUSA-N 384.498 0.240 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)N[C@@H]2CCc3c(Cl)cccc32)CC1 98033859 AVZJMNZRPBCWNE-OAHLLOKOSA-N 389.847 0.868 0 40 GCAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220650820 RQSIMPQKGTYDJJ-KRWDZBQOSA-N 399.513 0.688 0 40 GCAB COC(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1 238892528 QTDYYJSJYVWKKV-UHFFFAOYSA-N 392.437 0.733 0 40 GCAB O=C(Cn1cnc(C2CC2)cc1=O)NCCn1nnc2ccc(F)cc2c1=O 253395012 BNHUDBQUQAHWQB-UHFFFAOYSA-N 384.371 0.181 0 40 GCAB CCc1ncnc(O[C@@H]2CCN(C(=O)CCn3ccc(O)nc3=O)C2)c1F 253537705 MWNBYLANTHDDGC-LLVKDONJSA-N 377.376 0.510 0 40 GCAB COc1ccc(C(=O)N2CCN(C(C)C)[C@@H](C(N)=O)C2)cc1Cn1cccn1 257279437 OGQNKUHLJZWTPZ-QGZVFWFLSA-N 385.468 0.960 0 40 GCAB NC(=O)N[C@H](CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccccc1 572501424 NVVIZHHREPWXLS-MRXNPFEDSA-N 396.451 0.629 0 40 GCAB Cn1cc(-c2ncccc2CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 575618048 HGUJQAINPWFIEL-UHFFFAOYSA-N 377.470 0.770 0 40 GCAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@@H](CN1CCOCC1)C2 585104096 LKQLAOXPIAUYNS-MRXNPFEDSA-N 381.498 0.974 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3nccn4nccc34)CC2)n1 1889149394 JFQGEQQSUIMHCB-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB CC(C)CCNC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 5366882 UIPTXXRCLAENAH-UHFFFAOYSA-N 381.454 0.821 0 40 GCAB O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928239 HBMLXRITQBGZJD-UHFFFAOYSA-N 382.829 0.570 0 40 GCAB O=C(COc1ccccc1)NCCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8740736 WWFUKSQPDJXRIZ-UHFFFAOYSA-N 397.479 0.958 0 40 GCAB CSc1nnc(C)c(=O)n1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 8830487 MFEJUCVZJJOXSL-UHFFFAOYSA-N 398.466 0.733 0 40 GCAB Cn1c(=O)c2[nH]c(N3CCN(C(=O)c4ccccc4F)CC3)nc2n(C)c1=O 9356312 UIMBIMAIRHTCER-UHFFFAOYSA-N 386.387 0.062 0 40 GCAB COC(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14674113 MHFPIYCDUOHOHB-JTQLQIEISA-N 375.374 0.565 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16024666 FEVMCZQGRMLCIT-XKDRDYDWSA-N 398.463 0.699 0 40 GCAB O=C(Cn1cnc2c(cnn2[C@H]2CCS(=O)(=O)C2)c1=O)NC1CCCCC1 16849800 WFGNKUVYPXXAQE-ZDUSSCGKSA-N 393.469 0.402 0 40 GCAB Cn1c(COC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc(=O)n(C)c1=O 32901246 FBYBGVPIPISTMC-LBPRGKRZSA-N 375.381 0.273 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@]2(C[C@@]1(C)O)NNC(=S)N2 35323715 JAOODCGAHPLYJW-QQCQHEPOSA-N 393.465 0.182 0 40 GCAB COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C(C)C)N1C 35442559 GVYYODLFIASTOO-FAJBIJEISA-N 380.533 0.686 0 40 GCAB biogenic,in-vitro C[C@H](NC(=O)C[C@@H]1OCCc2ccsc21)C(=O)N1CCS(=O)(=O)CC1 67279173 FWKWFLILULXJLD-AAEUAGOBSA-N 386.495 0.514 0 40 GCAB COC(=O)c1cc(C(=O)OC)n(CC(=O)Nc2cccc(C(=O)N(C)C)c2)n1 95452303 IDDLMACPPRQYHK-UHFFFAOYSA-N 388.380 0.797 0 40 GCAB Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2cncnc2O)CCN1C 257228876 FVRBWTLAUGMMFO-INIZCTEOSA-N 399.451 0.442 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1)c1ncc[nH]1 257288138 PTAAJKAKHNWPTA-NCOADZHNSA-N 390.415 0.560 0 40 GCAB COc1ccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 408617795 JTUZWBWCHSODPU-CQSZACIVSA-N 385.486 0.298 0 40 GCAB Cn1nc2c(c1CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)CCCC2 562286796 SSZDXTROUOLLIN-CYBMUJFWSA-N 383.518 0.912 0 40 GCAB CNC(=O)CCOc1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1 656602551 RFGZNBZFBSMHHJ-KZULUSFZSA-N 377.397 0.766 0 40 GCAB O=C(CN1CCOCC1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840624 OYHKSURZEUAULK-UHFFFAOYSA-N 391.443 0.882 0 40 GCAB CCN(C(=O)COC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 5890447 YJOAFGCEXZZYLA-SWLSCSKDSA-N 383.422 0.405 0 40 GCAB CN(C(=O)COC(=O)/C=C/c1cnc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 7168473 QINWNTVNKYUASL-UZYOAWRESA-N 389.433 0.832 0 40 GCAB CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 7786151 JBXKRZLLUHDDCB-UHFFFAOYSA-N 393.509 0.919 0 40 GCAB COc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1 7969753 GJNMVTKJSNCDEC-LBPRGKRZSA-N 395.437 0.808 0 40 GCAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)NC[C@@H]1COc2ccccc2O1 14183799 QPHKCKSGWDEZTP-CYBMUJFWSA-N 399.359 0.527 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024736 HWFXDYWQMGAYIQ-VECPYEALSA-N 384.436 0.471 0 40 GCAB O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1CCc1ccccc1 16698926 VJEHJWURFRLBFQ-RTBURBONSA-N 399.491 0.927 0 40 GCAB CCNC(=O)COC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 32945521 FZQBKHSXPWHXEH-UHFFFAOYSA-N 381.454 0.965 0 40 GCAB COCCNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 36353017 XDJRTGHGMGWCSH-UHFFFAOYSA-N 385.442 0.326 0 40 GCAB COCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 50080032 NTHLRYZQDLODGC-INIZCTEOSA-N 386.470 0.913 0 40 GCAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 72399134 VBORHAMPHWEBDL-GFCCVEGCSA-N 380.470 0.204 0 40 GCAB COC[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(N)=O 89409685 YGRGFPKBWZCEHS-YHVDPYDOSA-N 395.481 0.316 0 40 GCAB O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 96011832 NIXDIIVMCWZHII-UHFFFAOYSA-N 389.359 0.970 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1 575607014 TXYYSKXZPJGFIM-UHFFFAOYSA-N 394.379 0.360 0 40 GCAB CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 655100862 OILQKSBMWBAECQ-FDYHWXHSSA-N 399.435 0.729 0 40 GCAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)CCS(C)(=O)=O)C2 1614937338 NMBGWYIBCQCJMS-MRXNPFEDSA-N 385.511 0.432 0 40 GCAB COc1ccc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cn1 1888909548 VGDLUSLCDHEFQN-ZIAGYGMSSA-N 379.424 0.975 0 40 GCAB CN1C[C@H]2C3(CCN(S(=O)(=O)N(C)C)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796205 QIILGVWTSCYZNK-QFBILLFUSA-N 398.573 0.839 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21 2228366 NTLHEKHUTQWXPT-UHFFFAOYSA-N 391.405 0.871 0 40 GCAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5947190 NTNJKCZMHJIRSN-IYBDPMFKSA-N 384.388 0.611 0 40 GCAB CCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc(F)c2)CC1 7564044 POYFEBUQUPZKLN-UHFFFAOYSA-N 395.387 0.399 0 40 GCAB CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)C1 9356346 OOYGLYKJSVCUKU-LBPRGKRZSA-N 377.445 0.794 0 40 GCAB COc1ccc(C(=O)c2c(/C=C/N3CCOCC3)n(C)c(=O)n(C)c2=O)cc1 15106804 OQINYUGYXQKSAR-CMDGGOBGSA-N 385.420 0.627 0 40 GCAB CN(C(=O)COC(=O)c1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 19481026 UZWWMHIYPKLSCF-HNNXBMFYSA-N 394.449 0.616 0 40 GCAB Cc1cc(C(=O)COC(=O)CC[C@H]2NC(=O)NC2=O)c(C)n1C[C@H]1CCCO1 25255490 RUEURWYWFHUURI-UKRRQHHQSA-N 391.424 0.998 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n(C)c1 29770947 KQFLUJOKVFNTOZ-VIFPVBQESA-N 378.410 0.905 0 40 GCAB Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c2c1CCS(=O)(=O)C2 41070549 QOTDAOWASSRIRF-UHFFFAOYSA-N 388.493 0.849 0 40 GCAB CN(C)C(=O)[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 95349246 BSTWENNYPYPAFQ-LSDHHAIUSA-N 375.404 0.325 0 40 GCAB CN(CCO)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 95470295 IIXZCUFCMNHZGK-UHFFFAOYSA-N 395.462 0.860 0 40 GCAB NC(=O)[C@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101628398 UIRAGAILGNRDEH-JKIFEVAISA-N 398.463 0.973 0 40 GCAB CN(C(=O)CCCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257301534 RYWOYLNENMCJRT-CBGDNZLLSA-N 399.495 0.668 0 40 GCAB NCCn1cc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)nn1 564742675 ZWMJSQPFGBWBAT-UHFFFAOYSA-N 376.848 0.417 0 40 GCAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]12)c1cccnc1 575405977 WEDBMJBEALTOAP-YSVLISHTSA-N 381.436 0.810 0 40 GCAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(C(=O)C4CC(O)C4)C[C@H]2S3(=O)=O)cn1 585110051 BKHMXIHQQVNVQU-WYTDXMKESA-N 387.461 0.940 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cn2cccn2)CCO1 585282908 JAQRUCCWCDUOQG-GOSISDBHSA-N 376.388 0.574 0 40 GCAB CCOc1ccc(N2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)nn1 662253393 XCEYKCRELGKUCB-UHFFFAOYSA-N 390.532 0.986 0 40 GCAB CCn1cnc2c(N3C[C@@H](NC(=O)COC)[C@H](c4ccnn4C)C3)ncnc21 1615551377 LIGMTRFYBWYRHU-CHWSQXEVSA-N 384.444 0.315 0 40 GCAB Cn1ccnc1[C@]1(CNS(=O)(=O)c2cc3ccccc3o2)NC(=O)NC1=O 1615588621 RSMJTTSWDVJQSD-INIZCTEOSA-N 389.393 0.180 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2cncn2C[C@@H](COCc2ccncc2)C1 2055729740 FEUMKQUIBVAALN-INIZCTEOSA-N 392.481 0.888 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccco2)CC1 2055745849 HVTVVBFDBCSCOW-UHFFFAOYSA-N 375.429 0.285 0 40 GCAB COCCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O 2952073 RYDWSAWAUMAGRN-UHFFFAOYSA-N 391.424 0.799 0 40 GCAB C/C=C/C1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 3830461 WDLWHQDACQUCJR-VTHQOVDZSA-N 389.433 0.707 0 40 GCAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 4045440 PNKJUVLFBNMXMK-NKFCBESUSA-N 378.406 0.150 0 40 GCAB biogenic CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c(C)c1 4943995 FWOLLVIXXDRTJB-UHFFFAOYSA-N 397.497 0.786 0 40 GCAB Nn1c(SCC(=O)NCCN2C(=O)CSC2=O)nnc1-c1cccs1 9985104 DUCPGMDBSHJASB-UHFFFAOYSA-N 398.495 0.624 0 40 GCAB COCCCNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029274 QAFWYMRVASCZCO-AWEZNQCLSA-N 375.468 0.414 0 40 GCAB O=c1[nH]c(N2CCCCC2)nc2c1CN(Cc1nnnn1Cc1ccco1)CC2 12144543 WRNHESWTMWAHOT-UHFFFAOYSA-N 396.455 0.946 0 40 GCAB O=C1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1Cc1ccccc1 16047036 NPPDCJFKTWUGHH-ZWKOTPCHSA-N 385.464 0.885 0 40 GCAB CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 17078513 QWUJXCQOMFWEIU-UHFFFAOYSA-N 384.483 0.598 0 40 GCAB CC(C)CNS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772700 ORZNALWCWIBEOU-AWEZNQCLSA-N 395.524 0.582 0 40 GCAB CS(=O)(=O)N1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 36452066 CEEDIAKGESIDTD-UHFFFAOYSA-N 389.861 0.627 0 40 GCAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 58231281 KNWGCOBJKHOWBG-QGZVFWFLSA-N 376.369 0.114 0 40 GCAB O=C(C1CCC1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96146002 MOKYVQRESSQKSE-RYRKJORJSA-N 377.466 0.766 0 40 GCAB CCOC(=O)N1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1 96182050 RJSABUIENMNNCQ-UHFFFAOYSA-N 375.385 0.949 0 40 GCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102127522 RVHYTPDRNPITOR-RYUDHWBXSA-N 381.429 0.719 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@](C)(O)C[C@]12NNC(=S)N2 105767149 JAOODCGAHPLYJW-AFSSITGASA-N 393.465 0.182 0 40 GCAB Cc1ccc(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1F 257205954 BBFJTPMCSCNPLB-WMZOPIPTSA-N 399.488 0.933 0 40 GCAB O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 299045274 DWCKYMHJLSMGNY-HUUCEWRRSA-N 382.438 0.833 0 40 GCAB O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@]2(COCc3cnc(NC4CC4)nc32)C1 306138265 RTTKVNNCKBFNSF-KSSFIOAISA-N 392.481 0.628 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 672346325 QUOSHTNUWMAZGH-SFHVURJKSA-N 397.497 0.827 0 40 GCAB COc1ccc(NC(=O)C(=O)NC[C@]2(OCCO)CCSC2)cc1OC 1565519713 MLZFXGIHSYTSLA-QGZVFWFLSA-N 384.454 0.643 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCC(C)C)cc1 4337467 SIYGPMBUIQPXMW-HNNXBMFYSA-N 383.470 0.230 0 40 GCAB Cn1c(=O)c2c(-c3cccc(Br)c3)n(CC(N)=O)cc2n(C)c1=O 9419564 AFYXHRLMKPVFKV-UHFFFAOYSA-N 391.225 0.954 0 40 GCAB COc1ccc(NCCN2N=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 10108779 FDRJEISQZINUMQ-UHFFFAOYSA-N 397.439 0.750 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c2ccccc2O1 10451002 ZKKXHIVTFFTBCE-HNNXBMFYSA-N 382.355 0.759 0 40 GCAB Cn1nnc2c(N3CCN(CC(=O)Nc4ccc(F)cc4F)CC3)ncnc21 13533733 PKMBYXSOFUYYKU-UHFFFAOYSA-N 388.382 0.797 0 40 GCAB CCn1ncc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C 17081446 RXPBIVTWLKPDDB-XGUBFFRZSA-N 398.423 0.864 0 40 GCAB CC[C@@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N(CC)CC)cc21 20887558 PNENODXRHRTYNE-GFCCVEGCSA-N 383.474 0.805 0 40 GCAB COc1ccc(CCNC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1OC 23142055 USOKMTHAFBORDE-UHFFFAOYSA-N 375.425 0.691 0 40 GCAB Cc1cccc(N2C[C@@H](C(=O)N3CCC4(CC3)NC(=O)NC4=O)CC2=O)c1C 24960660 KBJBMJJBWPCTLE-AWEZNQCLSA-N 384.436 0.857 0 40 GCAB CS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 25196266 LASOMXXXVFJGBB-UHFFFAOYSA-N 379.482 0.470 0 40 GCAB CC(C)CCCCC(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@@H]12 35457092 RQVIOHJGPCAFPM-FKGAOXPZSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro O=C(CCn1ccc(=O)[nH]c1=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 42379546 MZPNFJSWMYGESW-UHFFFAOYSA-N 399.382 0.106 0 40 GCAB Cc1ccccc1NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O 49410546 QEAZGPKDSCWUKL-UHFFFAOYSA-N 391.449 0.816 0 40 GCAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NC[C@H]2CCCO2)c1=O 57520478 BVVOGSXEEMVQDA-LLVKDONJSA-N 393.469 0.052 0 40 GCAB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)N=C(O)N=C1O)N(C)CC3)OCO2 104017753 XXLMIUZSHZWRGH-LLVKDONJSA-N 388.380 0.837 0 40 GCAB COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C)cn2)C1=O 306139670 TXCRFROJBGWYEL-IFXJQAMLSA-N 386.456 0.258 0 40 GCAB COc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)nn1 512192757 BZWIBFUEEMZGDO-RYUDHWBXSA-N 375.408 0.688 0 40 GCAB Cn1cc(CNS(=O)(=O)C[C@H]2CN(C(=O)c3ccccc3)CCO2)cn1 521397064 WKTSFAJFHWOOJK-MRXNPFEDSA-N 378.454 0.381 0 40 GCAB Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)C3CC3)CC2)cc1 585086221 KRDUQQZMEIAAAP-UHFFFAOYSA-N 392.524 0.960 0 40 GCAB CC(C)CNC(=O)c1nnc2n1C[C@]1(CCN(C(=O)[C@@H]3CCOC3)C1)OC2 1565553164 MPAYKZUURXSDSK-FZKQIMNGSA-N 377.445 0.202 0 40 GCAB O=C([C@H]1CCOC1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 2055785667 XSAQEPCOWKIRLS-ZMMAXQRCSA-N 392.477 0.607 0 40 GCAB Cn1c(NC(=O)c2ccccc2I)cc(=O)n(C)c1=O 2711269 ULTUKJAOYGEKTQ-UHFFFAOYSA-N 385.161 0.941 0 40 GCAB O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 5083206 HHSKNLJWHGXWPK-PKRADWSKSA-N 390.388 0.222 0 40 GCAB CCCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)n[nH]c1=O 9049903 PDBSVRXMDNVVQM-UHFFFAOYSA-N 381.458 0.261 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](C)n1ncc3ccccc3c1=O)CC2 19286381 KSXRJZZHKIWOSR-LBPRGKRZSA-N 379.420 0.977 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccco1 20637026 QPINWYWYRZQIIU-ZIAGYGMSSA-N 392.412 0.760 0 40 GCAB CCN(CC)S(=O)(=O)NC1CCC(NS(=O)(=O)N(CC)CC)CC1 23391071 CFSDBFJMDOJVBA-UHFFFAOYSA-N 384.568 0.650 0 40 GCAB COc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 24864005 VUYFTOGGEQOHMK-INIZCTEOSA-N 390.484 0.499 0 40 GCAB COc1cc2c(NC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])ncnc2c(OC)c1OC 25692521 BEJUEXSANFRFFQ-MRVPVSSYSA-N 399.316 0.853 0 40 GCAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O 32739576 XJRMGLBZIHKDRS-UHFFFAOYSA-N 381.820 0.496 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)cc1OC 40123012 AIWQAJSVVHYRQK-HNNXBMFYSA-N 397.497 0.631 0 40 GCAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 51137841 KPHGFFFWWYDPDA-CQSZACIVSA-N 375.406 0.392 0 40 GCAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCSCC3)CC2)Nc2ncccc21 72326278 WVWZZKYQYKADOC-GOSISDBHSA-N 389.481 0.521 0 40 GCAB Cc1ccc(N2CCN(C(=O)COc3cc(-n4cccn4)nc(C)n3)CC2)nn1 90607701 FSMRSBZQJBDVSI-UHFFFAOYSA-N 394.439 0.797 0 40 GCAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 95965036 HMPYTRCSFCSPLD-OAHLLOKOSA-N 395.460 0.940 0 40 GCAB O=C1[C@H](N2CCN(S(=O)(=O)CCC3CC3)CC2)CCCN1C1CCOCC1 96000354 QUDNUWMTGYOREM-GOSISDBHSA-N 399.557 0.904 0 40 GCAB CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(C(=O)c4cccnc4)CC2)[C@@H]3C1=O 247963627 GOYOXEZNFXTNQR-BZLDKRAPSA-N 381.432 0.915 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)CCn3c(C)nc4ccccc43)C[C@H]2O)c(O)nc1=O 257211303 BYJZCBGUBJVLDB-IAGOWNOFSA-N 397.435 0.750 0 40 GCAB CC(=O)NC1(CC(=O)N2CCOC[C@]3(CC(C(N)=O)=C(C)O3)C2)CCCCC1 257232614 GLPWWKJXXUAWFS-FQEVSTJZSA-N 393.484 0.993 0 40 GCAB Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1 257241997 IAOWSLVGNOENTP-HXUWFJFHSA-N 393.484 0.328 0 40 GCAB Cc1cc(Nc2nc(C3CCN(C(=O)[C@@H](N)CO)CC3)cn3cccc23)n[nH]1 585262984 GWLMBXVBHDZISD-AWEZNQCLSA-N 383.456 1.135 0 40 GCAB C[C@]1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)COc2ccccc2O1 623511937 MMWXXBKHYRZAAL-RDTXWAMCSA-N 380.466 0.548 0 40 GCAB O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CN(S(=O)(=O)Cc1ccccc1)CCO2 2055795893 QOCBWPCZRJEPIF-IEBWSBKVSA-N 394.493 0.856 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC(C)C)cc1 3016077 HADTWBWGIYYDQA-OAHLLOKOSA-N 383.470 0.373 0 40 GCAB COc1ccc(N2C[C@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC 4374623 UTRJWRULHPPSNW-CYBMUJFWSA-N 390.440 0.716 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(=O)n(C)c1=O 6942249 BXSWSCCBQVPEPM-UHFFFAOYSA-N 377.422 0.646 0 40 GCAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 8298285 DXYLHKJYJLLPTP-QGTPRVQTSA-N 385.468 0.806 0 40 GCAB biogenic,in-vitro Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCN2C(=O)CSC2=O)s1 9882752 LPABBLKOFZBJNH-UHFFFAOYSA-N 399.450 0.141 0 40 GCAB CCn1c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c2cccnc21 12144400 YBBAOIVETVXEKL-UHFFFAOYSA-N 383.408 0.796 0 40 GCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 12650796 RJIGTMDMCPTLCX-UHFFFAOYSA-N 389.905 0.799 0 40 GCAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 13141513 WNFAVUVVXCXNFJ-LLVKDONJSA-N 397.482 0.375 0 40 GCAB O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1Cc1ccccc1 16047035 NPPDCJFKTWUGHH-QZTJIDSGSA-N 385.464 0.885 0 40 GCAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(S(N)(=O)=O)CC1 24652830 JVHBJTSZYLDJKZ-UHFFFAOYSA-N 396.513 0.397 0 40 GCAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 25304020 RBJUARVHQFRMDM-UHFFFAOYSA-N 378.454 0.713 0 40 GCAB COC(=O)[C@@H]1N[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OC)SC1(C)C 31688280 FPWXVXUCFHACJJ-KKUMJFAQSA-N 380.466 0.870 0 40 GCAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3nc[nH]n3)cc(C(C)C)nc21 67685889 QXNLKYBUUCBVPD-UHFFFAOYSA-N 385.428 0.912 0 40 GCAB CC(C)NC(=O)CN(C)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 89936721 VVARBSOWZCPDOQ-GJZGRUSLSA-N 390.550 0.261 0 40 GCAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCN(CCO)CC1 96118868 SAINKCFRRLHDTA-UHFFFAOYSA-N 382.420 0.971 0 40 GCAB CNC(=O)[C@@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@@]1(C)O3 231680801 XDZKHRZZZUCGTG-NUJXGAOPSA-N 387.480 0.884 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NCCCc1cnc2ncnn2c1 238821365 CSKLHUXMUIQQDB-UHFFFAOYSA-N 381.439 0.884 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)CCN2C(=O)CCCC2=O)CCN1Cc1ccccc1 257343815 ZUNIMGMRDXOYBM-INIZCTEOSA-N 386.452 0.114 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@@]1(CCN(Cc3ccoc3)C1)CC2 306125233 CJZWEKYYEMKNCI-FQEVSTJZSA-N 379.420 0.989 0 40 GCAB CCOC(=O)C1(COC)CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 601407815 GEBYVQIDBPSTOW-CQSZACIVSA-N 388.486 0.371 0 40 GCAB CS(=O)(=O)/C=C/CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 618254333 XLZLFRPOQXSLQF-COSNYCCFSA-N 386.495 0.904 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)Cc3nc(C)no3)CC2)CN1S(C)(=O)=O 1615067349 ZUDDINZGSSQTCW-ZDUSSCGKSA-N 386.474 0.210 0 40 GCAB Cn1c(O)ncc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1=O 1888913324 MFWQXMSKBWHQGB-STQMWFEESA-N 394.435 0.581 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 6175196 WFLLATULQFUZIG-JTQLQIEISA-N 377.260 0.975 0 40 GCAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 7238900 OXWOLNPDFDAIMR-HNNXBMFYSA-N 396.465 0.222 0 40 GCAB O=C(COC(=O)C1CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 10809002 BPFRQFFCLPISLX-UHFFFAOYSA-N 382.438 0.989 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@]12CCc1ccccc1C(=O)N2 19290528 WGBGFQSMONJTAG-UTKZUKDTSA-N 395.463 0.695 0 40 GCAB O=C1NC[C@]2(CCCN(C(=O)CN3CSCC3=O)C2)Oc2ccccc21 19374761 PONJCJCEYITSFZ-SFHVURJKSA-N 375.450 0.703 0 40 GCAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C2=O 19699806 GDVOQUAORSQCOZ-CABCVRRESA-N 378.473 0.563 0 40 GCAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cc[nH]n1 19749568 NPGSZQLHNHCBOP-OAHLLOKOSA-N 376.438 0.848 0 40 GCAB CCCOC(=O)c1ccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 21576708 KMVQHCNEHWTVOL-HNNXBMFYSA-N 391.424 0.555 0 40 GCAB O=C(NCc1cc[nH]n1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 58225875 QGEHWVPTGBBHIR-UHFFFAOYSA-N 378.392 0.990 0 40 GCAB O=C(NCc1cccc2c1OCO2)[C@H]1CC(=O)N(CCN2CCOCC2)C1 58357712 BERXHSBOCBPSSB-HNNXBMFYSA-N 375.425 0.212 0 40 GCAB O=C(CN1Cc2ccccc2C1=O)NCCn1nnn(-c2cccs2)c1=O 72341035 RFJJAWNVWPLQSY-UHFFFAOYSA-N 384.421 0.263 0 40 GCAB CC1CCN(CC(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)CC1 72346911 SAOTVBNRHBZADC-UHFFFAOYSA-N 375.473 0.223 0 40 GCAB CNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 83927640 YLEPLWBPQKBLGF-DVQBICRXSA-N 378.469 0.842 0 40 GCAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(S(C)(=O)=O)CC1 95477762 HSYYNAQDFWGHAK-UHFFFAOYSA-N 398.529 0.154 0 40 GCAB COc1ccc(/C=c2/[nH]/c(=C/C(=O)c3ccccc3)c(=O)[nH]c2=O)c(OC)c1 105766751 UYLFHIMABHGNEJ-JTCWOHKRSA-N 378.384 0.573 0 40 GCAB COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)N(C)C)cc(OC)c1OC 225959760 FKZANXMFDXINQR-UHFFFAOYSA-N 389.474 0.409 0 40 GCAB CC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)C[C@H]1C(N)=O 257332481 XXMGXVLQLQIFGM-IBGZPJMESA-N 386.496 0.486 0 40 GCAB CCn1nnc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1 408628572 UZBJVLFNCDBTNA-UHFFFAOYSA-N 378.311 1.385 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncn3)C2)cc1 575612234 JXLKVLPBONNOJF-ZDUSSCGKSA-N 378.410 0.183 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2cncc(N3CCCC3=O)c2)CC1 575617945 BIEANROSHNBONW-UHFFFAOYSA-N 380.470 0.496 0 40 GCAB Cn1cncc1CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381964 WVPOFIQPNNKAIR-LJQANCHMSA-N 381.480 0.831 0 40 GCAB biogenic,in-vitro CC1(C)[C@@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2[S@@]1=O 1322846 AYTKEKBIWRHMGU-VTWXNPLLSA-N 375.038 0.635 0 40 GCAB biogenic O=C(O)CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9135071 WWFSMTSWHDOBCU-UHFFFAOYSA-N 398.466 0.683 0 40 GCAB Cc1cc(C)n2c(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)nnc2n1 9712575 YKSNKCGNCDDIAM-UHFFFAOYSA-N 387.425 0.483 0 40 GCAB COc1ccc(CCn2c(=O)c3ncccc3n(CC(N)=O)c2=O)cc1OC 9843851 JXBSALVUAFRPQN-UHFFFAOYSA-N 384.392 0.303 0 40 GCAB CS(=O)(=O)NC1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 10666939 JVOXAOYPNNGPPI-UHFFFAOYSA-N 378.454 0.327 0 40 GCAB Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 11336657 UTNXITJOBUYEGP-UHFFFAOYSA-N 380.364 0.974 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cccc(OC)c2)n(C)c1=O 12628508 WGGYSWSFPXCDCD-UHFFFAOYSA-N 385.380 0.230 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cccc(C(F)(F)F)c1 13667860 QQJGPRKSQOVYFI-UHFFFAOYSA-N 393.387 0.772 0 40 GCAB COc1ccccc1NC(=O)CSc1nc(=O)c2cnn(CCO)c2[nH]1 15881218 HNRSLRDUFDHSDT-UHFFFAOYSA-N 375.410 0.851 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1 19022597 OPTYCJITMZWQGX-UHFFFAOYSA-N 391.453 0.375 0 40 GCAB COCCOc1ccc(C(=O)N2CC[C@@]3(NC(C)=O)CN(C)C[C@H]3C2)cc1 19712999 NFQHMATUSOHEJI-FXAWDEMLSA-N 375.469 0.994 0 40 GCAB Cn1ncc2c(N3CCN(CN4C(=O)CC5(CCCC5)C4=O)CC3)ncnc21 25150801 ANCJSXXGXDQMDU-UHFFFAOYSA-N 383.456 0.762 0 40 GCAB CC(C)CN1CCO[C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C1 25393821 BYQRTEOIKOQYNN-MRXNPFEDSA-N 388.468 0.825 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn(-c2cccc(Br)c2)nn1 32816382 PMNNESQUGWWHHM-SNVBAGLBSA-N 385.243 0.947 0 40 GCAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 40086601 MOFLENDXMNPXCD-QWRGUYRKSA-N 383.495 0.996 0 40 GCAB CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(COC)cc2)cc1 95461291 QWEONQNFBYKABE-UHFFFAOYSA-N 391.449 0.996 0 40 GCAB Cc1cc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)[nH]n1 96002438 FVRHJFMHSNAWSG-INIZCTEOSA-N 385.472 0.713 0 40 GCAB COc1ccc(NC(=O)Nc2ccn(CCC(N)=O)n2)cc1-n1nnnc1C 97164701 HGURXIIVDSXYDS-UHFFFAOYSA-N 385.388 0.695 0 40 GCAB CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257232707 GMARGJNBQUMKOY-QLVMHMETSA-N 399.495 0.429 0 40 GCAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N[C@H]1CCS(=O)(=O)C1 1548348504 NQVACIWQEYMRDS-HNNXBMFYSA-N 392.477 0.885 0 40 GCAB COCCN1C(=O)[C@H]2CN(C(=O)Cc3cc(C)no3)CCN2C12CCOCC2 1772595400 SUIIJBWDHXAJNP-MRXNPFEDSA-N 392.456 0.034 0 40 GCAB CN(C)S(=O)(=O)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21 2055746217 BAFWHTGEMRYZEN-NUEKZKHPSA-N 382.486 0.026 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(CC3(O)CCOCC3)CC2)n1 2298188617 OZKPCBUEGPZNFS-UHFFFAOYSA-N 377.489 0.285 0 40 GCAB CCOc1ccc(CCNC(=O)COC(=O)C2=NNC(=O)CC2)cc1OCC 4334253 MDBBZAYMJRRXRV-UHFFFAOYSA-N 391.424 0.952 0 40 GCAB COC(=O)[C@H]([C@H]1N[C@H](C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O 5081566 CFLMGIZSXQYPJM-TUAOUCFPSA-N 378.406 0.719 0 40 GCAB COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)c1 5251898 AFMXJJFDKQSXOQ-LLVKDONJSA-N 399.407 0.778 0 40 GCAB CNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 9708542 SPVADAGVTVHIAT-UHFFFAOYSA-N 381.454 0.081 0 40 GCAB COc1ccc(NC(=O)CN2C[C@H]3CCN(C(C)=O)C[C@@]3(NC(C)=O)C2)cc1 19713604 KNGOJZWUJXORGI-UZLBHIALSA-N 388.468 0.693 0 40 GCAB COc1ccccc1N1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(C)C)CC1 20465586 GGNVTTSWGYFEIM-FUMNGEBKSA-N 379.501 0.304 0 40 GCAB biogenic,in-vitro C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC[C@@H]3OC(=O)O[C@@H]3C)=C([C@H]3CCCO3)S[C@H]12 26892088 MVHHCXACTDXCAC-CBGCMOINSA-N 399.421 0.756 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C)CC1 35060058 YATSUBXUGHXXMZ-LLVKDONJSA-N 390.303 0.890 0 40 GCAB CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCO)CC2)cc1 58244607 FUJDCELIPQGYKU-UHFFFAOYSA-N 398.485 0.289 0 40 GCAB CC(C)(C(N)=O)N1CCN(CC(=O)N2CCN(c3ccccc3F)CC2)CC1 72308866 XRPCPWIBQLITNB-UHFFFAOYSA-N 391.491 0.356 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nn(C)c3c2COCC3)cc1 96104014 IJNCRJBSVHZNAY-UHFFFAOYSA-N 378.454 0.673 0 40 GCAB CC(C)CS(=O)(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 96251177 OGROPFIMSLNQNN-CRAIPNDOSA-N 395.529 0.821 0 40 GCAB C[C@@H](C(=O)OCc1nc(N)nc(N(C)C)n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 102431464 QHAUOQNOGYAOOT-HBNTYKKESA-N 376.417 0.127 0 40 GCAB O=C(COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1)NC[C@@H]1CCCO1 408867249 KUPNBMSOFVHXKD-BMANGOCTSA-N 387.461 0.046 0 40 GCAB O=C(NCc1nnc2ccccn12)N1CC[C@@H](Nc2ccc3nccn3n2)C1 548025061 SQWQJSKNOUWKOP-CYBMUJFWSA-N 377.412 1.168 0 40 GCAB CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2COCCN2CC2CCC2)CC1 585083090 GYOCWXBQBYELEK-KRWDZBQOSA-N 387.546 0.665 0 40 GCAB N[C@@H]1CCCCN(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C1=O 643727764 KSISDVKBGXJFQS-BRSBDYLESA-N 384.480 0.599 0 40 GCAB CN1CCC2(CC1)CCN2C(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1591181970 QGSDSOAQGGJJJN-HNNXBMFYSA-N 395.467 0.916 0 40 GCAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)O 5244242 AZUSAZXAAQMOCP-MKBNYLNASA-N 393.415 0.909 0 40 GCAB O=C(c1ccc2c(c1)OCO2)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 12113736 WOMFDPNKYNBSQT-UHFFFAOYSA-N 384.392 0.534 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC2=O)cc1 12408244 UFKKILJJGOPYFA-CYBMUJFWSA-N 381.454 0.152 0 40 GCAB CCN1CCC[C@H]1CNC(=O)c1nc(COc2ccc(CC(N)=O)cc2)no1 20723621 VCKNROZZEHASKQ-AWEZNQCLSA-N 387.440 0.891 0 40 GCAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1cccc2nsnc12 23092674 HHJKJSGTPIZEND-GFCCVEGCSA-N 395.510 0.435 0 40 GCAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)[C@H]1CCCN(c2ncccn2)C1 79475297 NNSYEBMUTGFGNU-AWEZNQCLSA-N 394.435 0.513 0 40 GCAB CC(C)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nn1C 95998957 ZVEWDGXVIDXRIL-CQSZACIVSA-N 384.502 0.810 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CCO1 96006503 UCSPRRVNUMBDHU-MRXNPFEDSA-N 397.497 0.452 0 40 GCAB CCOC(=O)C1=C(CN2CCN(Cc3cc(C)on3)CC2)NC(=O)N[C@H]1C 97402418 GSWMOXLQWAITOX-ZDUSSCGKSA-N 377.445 0.619 0 40 GCAB O=C(c1ccc2n[nH]nc2c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906827 XJLSONLNEYOLAW-UHFFFAOYSA-N 376.384 0.291 0 40 GCAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1cccc(-n2cnnn2)c1 240122481 VZXKSGAPBKGESW-UHFFFAOYSA-N 390.411 0.630 0 40 GCAB COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 257314045 UVCXJGURYRTTEX-GOSISDBHSA-N 379.388 0.273 0 40 GCAB COc1ccnc(N2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)n1 511635250 QSJNBNTVSGDFEI-UHFFFAOYSA-N 376.505 0.596 0 40 GCAB CCOC(=O)[C@@H]1CCCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)C1 575610610 WIAHTNWBCPRTKJ-CYBMUJFWSA-N 385.428 0.295 0 40 GCAB COCCN1C(=O)CN(C2CCN(c3cc(=O)n4ccccc4n3)CC2)C1=O 1888866485 QVXZQGXRLNRJOS-UHFFFAOYSA-N 385.424 0.574 0 40 GCAB Nc1nc(SCc2ccccc2)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 4769185 HEWUQFYYFBVBKP-XQCUEUFKSA-N 389.437 0.312 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1 6609233 YLZZGJYHCUXIBI-UHFFFAOYSA-N 378.362 0.858 0 40 GCAB CCOC(=O)N1CCN(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)CC1 6947007 KAPNEPBUKBLPBQ-HNNXBMFYSA-N 378.381 0.670 0 40 GCAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 7987157 MTCGVGXNZUMDOL-UHFFFAOYSA-N 386.389 0.808 0 40 GCAB O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2ccco2)CC1 8340975 VTIIHFSIDXANRP-UHFFFAOYSA-N 397.478 0.994 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 12897392 UZZJGBUQNAIMPK-UHFFFAOYSA-N 391.387 0.585 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 13096759 RBBJNIOVVQREBP-OAHLLOKOSA-N 379.482 0.811 0 40 GCAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3)cc1 15106386 FPGULWFXLPXKQS-CZUORRHYSA-N 375.450 0.975 0 40 GCAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19739079 OBZYKQKAJJEQLG-INIZCTEOSA-N 396.495 0.865 0 40 GCAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 23022694 NMPNSWKLUWZKSF-GFCCVEGCSA-N 398.462 0.795 0 40 GCAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCCN(CC(=O)N(C)C)CC1 24677985 BFZIJHGCJLUYCT-GFCCVEGCSA-N 381.502 0.270 0 40 GCAB COc1ccccc1NC(=O)[C@H](C)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 32739782 WWFSCFJWNGYNIL-LSDHHAIUSA-N 381.498 0.827 0 40 GCAB Cn1c(=O)c2c(nc3n2CCCN3CC(=O)OCc2ccccc2)n(C)c1=O 36696123 QDNMDOFPNKBKML-UHFFFAOYSA-N 383.408 0.387 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(CCS(=O)CC[C@]516)[C@H]2[C@@H]43 101047164 RJOVTMHCDKITPS-GWFKPBBSSA-N 381.457 0.931 0 40 GCAB COc1ccc(O[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nn1 225435801 SMIMTKVUFRIIQO-CYBMUJFWSA-N 384.458 0.137 0 40 GCAB Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 257226880 FMORYNFSIKERCQ-WMZOPIPTSA-N 399.488 0.933 0 40 GCAB Cc1ccc(N2C(=O)[C@H]3Nc4nc(N5CCOCC5)nc(O)c4[C@@H]3C2=O)cc1 675020652 ZZPCNPCHAHYRQV-JSGCOSHPSA-N 381.392 0.778 0 40 GCAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1csnn1 1549160112 ASGRDDVIVHLBOG-ARFHVFGLSA-N 376.417 0.854 0 40 GCAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cnc[nH]5)C[C@@H]4C3)ncnc21 1888921949 PEKAAKSRWQVPML-RYUDHWBXSA-N 388.457 0.326 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)cn23)n(C)c1=O 4250620 XCTLGCDIQLNTAL-UHFFFAOYSA-N 397.391 0.629 0 40 GCAB COCCN(CCOC)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941020 UZRGGSWECFKLNH-UHFFFAOYSA-N 388.442 0.070 0 40 GCAB Cc1ccc(-c2n[nH]c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2)cc1 6427053 HVKDRLNUGSOKHE-UHFFFAOYSA-N 386.437 0.735 0 40 GCAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3cccnc3)cc2)C1=O 11859323 AFSVLLJWLYWUIF-LBPRGKRZSA-N 395.462 0.873 0 40 GCAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)N1CCOCC1 14208611 KLAFMGVNUQGHGP-CQSZACIVSA-N 396.465 0.717 0 40 GCAB COC[C@@H](C)NC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19456620 QKAWKUBPMWMDIY-OAHLLOKOSA-N 388.468 0.375 0 40 GCAB Cc1ccc(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1 22933753 JCXOBKCKSDPLAR-QGZVFWFLSA-N 396.557 0.903 0 40 GCAB CCS(=O)(=O)NC1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 32912032 VDGIZEOQEJUXFM-UHFFFAOYSA-N 378.454 0.327 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccnc3)CC2)C[C@@H](C)O1 40081201 UXDBJZKQTHWQOF-DOOVEFGSSA-N 394.497 0.593 0 40 GCAB O=C(CCNc1ncccn1)N1CCN(S(=O)(=O)c2cccnc2)CC1 48236971 YZBQMIMJIRPXSB-UHFFFAOYSA-N 376.442 0.207 0 40 GCAB O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc(Br)c(F)c1 51984360 VKTXORPLGZGFJX-UHFFFAOYSA-N 395.250 0.980 0 40 GCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C=O)CC2)no1 58244310 XAFOSDMFPONJAS-UHFFFAOYSA-N 392.437 0.741 0 40 GCAB Cc1cc(C)n(CCNC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)n1 96105236 IFQFHLVUMLBZNJ-UHFFFAOYSA-N 395.471 0.903 0 40 GCAB CN(CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 105670861 YRFIKNCDZCDBQH-WBVHZDCISA-N 393.509 0.665 0 40 GCAB CNC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 226743823 NREDVFANFAPTPZ-UHFFFAOYSA-N 377.850 0.221 0 40 GCAB O=C1CN([C@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@H]1CCS(=O)(=O)C1 242750289 ZKEJCZHFVAOYCE-STQMWFEESA-N 384.479 0.214 0 40 GCAB CN1CCN(C(=O)c2c[nH]c(O)n2)C[C@H]1C(=O)NCCOc1cccc(F)c1 257248125 JCFHKRZHEPJLJK-HNNXBMFYSA-N 391.403 0.206 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NCc2nccnc2-c2ccncc2)C1=O 575619915 HOXNUDKDSLTIKX-UHFFFAOYSA-N 376.398 0.445 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1S(C)(=O)=O 585103417 FKSMRUCAHGJZND-GFCCVEGCSA-N 388.515 0.749 0 40 GCAB CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H]3CC[C@@H](C4CC4)N3)CC2)CC1 653150021 OYBRGSWVRCZAAA-OALUTQOASA-N 391.560 0.214 0 40 GCAB Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)c2csnn2)C3)cn1 1614930392 BQIYIHXUDVHPCJ-RHSMWYFYSA-N 388.453 0.574 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)cn1 1888882203 FNALINJDAKLXSA-UHFFFAOYSA-N 382.421 0.443 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C3CCCCC3)[C@H]2SC1 6745195 JRMINOVSGFETCQ-MLGOLLRUSA-N 382.438 0.868 0 40 GCAB CCCn1c(N)c(C(=O)COC(=O)c2cccnc2SC)c(=O)[nH]c1=O 7657710 PNNQOKXWVKSYBC-UHFFFAOYSA-N 378.410 0.685 0 40 GCAB CCN1c2nc3c(C)cccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C)C2=O)[C@@H]1C 9348045 HVYYKFZGMDEBOL-WLRWDXFRSA-N 383.408 0.468 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3cncn3)cc2)cc1 11605494 WIYJYRPFUFHUKF-UHFFFAOYSA-N 385.449 0.946 0 40 GCAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 12239576 NLLHHEHAIOTBQE-UKRRQHHQSA-N 389.481 0.971 0 40 GCAB O=C(OCCOc1ccccc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12796053 COJSAUHZMANNRU-GFCCVEGCSA-N 398.412 0.913 0 40 GCAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 13520823 PPTBCHXXHXHVCD-UHFFFAOYSA-N 381.410 0.180 0 40 GCAB Cc1cc(N2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)n1 14085700 OEANBOSYUDURDF-AWEZNQCLSA-N 381.502 0.927 0 40 GCAB O[C@H](COCc1ccco1)CN1CCN(C[C@@H](O)COCc2ccco2)CC1 22923901 WXKLDSNYXJUAKV-HDICACEKSA-N 394.468 0.945 0 40 GCAB CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 25675458 PSVMTWVHAYNNGC-UHFFFAOYSA-N 386.451 0.495 0 40 GCAB CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 35291103 BYRNXPXELMLDSX-UHFFFAOYSA-N 388.403 0.169 0 40 GCAB COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 38946121 VTUYYFGRNYKMNU-UHFFFAOYSA-N 377.422 0.906 0 40 GCAB CN1CCN(C(=O)c2nn(-c3ccccn3)c3c2CS(=O)(=O)CC3)CC1 41070358 PUTVYOWRQPDENA-UHFFFAOYSA-N 375.454 0.126 0 40 GCAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CC(n3ccnn3)C2)cc1 225691647 FMLXCZQROZNMED-UHFFFAOYSA-N 377.470 0.937 0 40 GCAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(C2CCS(=O)(=O)CC2)CC1 225811139 WUJBNWIUEYMBSU-UHFFFAOYSA-N 380.466 0.679 0 40 GCAB Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](CCNS(C)(=O)=O)C2)cn1 306133268 MGYTZIMDBPOQAR-CYBMUJFWSA-N 378.458 0.193 0 40 GCAB Cc1cnc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cn1 306141220 VOOCXMSYWUPVKR-UONOGXRCSA-N 382.424 0.173 0 40 GCAB CC(=O)N1CCN(C[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)CC1 585286860 VUVVXVNWVZOKPO-MJGOQNOKSA-N 395.887 0.442 0 40 GCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@H]12 2055718000 SORWPAACTRSRBF-DUVNUKRYSA-N 378.454 0.361 0 40 GCAB Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2113856 PGCZVTQDTCKHKJ-UHFFFAOYSA-N 382.756 0.320 0 40 GCAB biogenic O=C(COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)NC1CC1 7547522 OCVNFWLFJUZPNZ-LBPRGKRZSA-N 391.449 0.669 0 40 GCAB CC(C)[C@H](N)C(=O)NC[C@H](CC(=O)N[C@@H](CO)C(=O)O)c1ccc(Cl)cc1 8764481 ODFGXQOGANZYIW-NOLJZWGESA-N 399.875 0.475 0 40 GCAB biogenic COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCN(C)C 12004567 DQQCIARHOIOCCN-UHFFFAOYSA-N 391.515 0.465 0 40 GCAB CCOC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 16478273 ISEQBCDFVCGZLE-UHFFFAOYSA-N 392.412 0.880 0 40 GCAB CC1CCN(c2nc([C@@H](C)NC(=O)[C@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 19496993 KRVHYVRLFMFMQY-OLZOCXBDSA-N 382.486 0.618 0 40 GCAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCN1CCOCC1 23806038 PYPSETCRFXJOMW-UHFFFAOYSA-N 384.440 0.691 0 40 GCAB O=C1C[C@@H](C(=O)Nc2ccccc2F)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828127 YXCXSQYJJINGCG-SNVBAGLBSA-N 387.371 0.810 0 40 GCAB O=C(CN1CCN(C(=O)c2nccnc2C(=O)O)CC1)Nc1cccc(F)c1 71285119 XCMDDKXGIQGORU-UHFFFAOYSA-N 387.371 0.710 0 40 GCAB COc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1 77264637 PNRPQLSHTIYAOZ-QRVBRYPASA-N 392.477 0.892 0 40 GCAB biogenic,in-vitro O=C1[C@@H](N2CCN(S(=O)(=O)CCC3CC3)CC2)CCCN1C1CCOCC1 96000353 QUDNUWMTGYOREM-SFHVURJKSA-N 399.557 0.904 0 40 GCAB CSCC[C@H](NC(=O)CNC(=O)c1cnccn1)c1nnc2ccccn12 96118492 GOAOGWBDJSLGIU-LBPRGKRZSA-N 385.453 0.860 0 40 GCAB O=C1CN(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2N1 97569667 WAZIJJNKFGATOY-BETUJISGSA-N 397.387 0.466 0 40 GCAB C[C@@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@H](c3ccccc3O1)[C@@H]2C(N)=O 102449613 BWUUVSVHEFXEOT-UACOUSAMSA-N 381.413 0.764 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(N)=O)cc2)ccc1OC 222903088 KBFDHCFTLCSQPX-UHFFFAOYSA-N 377.422 0.883 0 40 GCAB COc1ccnc(N2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)c1 560680091 BUXYXJYXRNYXPO-UHFFFAOYSA-N 397.483 0.351 0 40 GCAB Cn1nccc1C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585283468 OPIATDYAFPZDEX-GOSISDBHSA-N 376.388 0.725 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C3CC3)nn2)cc1 1549161911 QCGYCHLUMFCMKX-GVDBMIGSSA-N 378.454 0.571 0 40 GCAB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(N)=O)c1 4030368 LQLDISQYBMNSPO-UHFFFAOYSA-N 386.437 0.429 0 40 GCAB CCCCS(=O)(=O)N(CC(=O)OCCN(CC)CC)S(=O)(=O)CC 5420774 BEPLBFGJKZEAJV-UHFFFAOYSA-N 386.536 0.653 0 40 GCAB CC1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@H]21 6590797 OBROIGWEUCEWJH-VHSXEESVSA-N 397.478 0.032 0 40 GCAB COc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1S(N)(=O)=O 6983089 ZSMBNEYYFGYGKD-UHFFFAOYSA-N 393.421 0.476 0 40 GCAB CC(C)CN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 7005072 DKVMIDUSUXWPTM-ZDUSSCGKSA-N 378.450 0.954 0 40 GCAB Cc1cccc(OCCNC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 8071910 KSBSHUYEUZKWJO-UHFFFAOYSA-N 380.404 0.999 0 40 GCAB CCN(C(=O)CN1CCN(c2ccccc2F)CC1)[C@H]1CCS(=O)(=O)C1 12610332 OIZNWYZIVZFEKZ-HNNXBMFYSA-N 383.489 0.983 0 40 GCAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 15350421 KWQAKLHQRDNCNM-STQMWFEESA-N 383.470 0.936 0 40 GCAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)no1 16695189 XXOSDOUBXRGMNW-CYBMUJFWSA-N 395.437 0.851 0 40 GCAB CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 20030448 IJLCASXGYIMASX-UHFFFAOYSA-N 376.276 0.501 0 40 GCAB Cc1ccc(CN2C[C@@H](C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2=O)cc1 21557536 XGWUDFDOVYVRCF-SFHVURJKSA-N 398.507 0.766 0 40 GCAB O=C(N=c1[nH]c2ccccc2[nH]1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 22402980 ATUWXHHEBAFAIL-JTQLQIEISA-N 375.410 0.089 0 40 GCAB COc1cccc(-n2nnnc2SCC(=O)N2CCn3c(cccc3=O)C2)c1 36636037 WKECTFHDWMNPOC-UHFFFAOYSA-N 398.448 0.967 0 40 GCAB Cn1c(-c2ccccn2)nn(CCNC(=O)[C@H]2COc3ccccc3O2)c1=O 38533307 RYJNCXIDPKSLTL-MRXNPFEDSA-N 381.392 0.600 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38946519 SGABFBPKAIVQJF-HUUCEWRRSA-N 386.481 0.777 0 40 GCAB Cc1ccc(-n2cc(S(=O)(=O)N3CCC[C@H]3CS(N)(=O)=O)cn2)cc1 95461730 OMGUSVGWBYULII-AWEZNQCLSA-N 384.483 0.622 0 40 GCAB Cc1nc(-n2cccc2)sc1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097929 LOTKGIQCCCHTDR-UHFFFAOYSA-N 396.436 0.810 0 40 GCAB Nc1ncnc2c1c(I)cn2[C@@H]1C[C@@H](O)[C@@H](CO)O1 143112377 LIIIRHQRQZIIRT-PRJMDXOYSA-N 376.154 0.259 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)CC1 225554967 PKMIVMCWZQAICM-CQSZACIVSA-N 383.474 0.234 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@H]2C1 306123659 ATFZHZGFBXHLDE-LSDHHAIUSA-N 389.481 0.662 0 40 GCAB CN(C)S(=O)(=O)N1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@H]2C1 306132220 LCBIMAAHMQZLOH-QWHCGFSZSA-N 390.469 0.441 0 40 GCAB COCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408604223 LKUDJWFTBWZRES-CQSZACIVSA-N 386.470 0.628 0 40 GCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CCO1 566662681 BCIVLXIPXDOPBO-ABAIWWIYSA-N 389.401 0.715 0 40 GCAB CN(C)c1nccc([C@@H]2CN(C(=O)CCn3cnc4c(N)ncnc43)CCO2)n1 613737288 JENABPVLFBLYKM-ZDUSSCGKSA-N 397.443 0.255 0 40 GCAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(Cc3cnc4ccccn34)C[C@@H]12 1549160104 APFLNQLMIQSXSQ-MRXNPFEDSA-N 381.436 0.962 0 40 GCAB O=c1ccc(-c2ccccc2)nn1C1CN(S(=O)(=O)N2CCOCC2)C1 1775972212 DDHNCDROQYIAQR-UHFFFAOYSA-N 376.438 0.344 0 40 GCAB COCCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160432 GBKRIVGGUYCGQB-UHFFFAOYSA-N 393.465 0.962 0 40 GCAB CCOCCCN1C(=O)C(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 6589472 LHVUOIIPJJIIKI-UHFFFAOYSA-N 388.380 0.189 0 40 GCAB Cc1cc(OCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 6835712 IUFLFALVCCGORZ-LLVKDONJSA-N 375.830 0.874 0 40 GCAB COc1ccc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 7725524 CWOUGQFALSEVHW-UHFFFAOYSA-N 388.380 0.194 0 40 GCAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O 8723505 RCAFGHWWJAPDMZ-AWEZNQCLSA-N 383.470 0.790 0 40 GCAB COc1ccccc1CNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1 9037388 ATHVCCQXGNKFNU-UHFFFAOYSA-N 396.407 0.836 0 40 GCAB CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1 12232533 BMASDCIHOVKQIX-LBPRGKRZSA-N 390.465 0.904 0 40 GCAB O=C(NCc1cc(=O)[nH]c(N2CCCC2)n1)[C@@H]1CSC(c2ccncc2)=N1 19405029 QIGKJXVGXZLMHA-AWEZNQCLSA-N 384.465 0.944 0 40 GCAB CS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 19572752 VWIYZGCUMKTJFX-LBPRGKRZSA-N 380.470 0.204 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCn2cnc3c(cnn3C)c2=O)c2ccccc2O1 21472143 DZFUFCAXWYTILR-OAHLLOKOSA-N 396.407 0.060 0 40 GCAB Cn1c(=O)c2c(nc(N3CCOCC3)n2C[C@@H](O)c2ccccc2)n(C)c1=O 23115232 IRPKSERFGTUISZ-CQSZACIVSA-N 385.424 0.004 0 40 GCAB CNC(=O)C1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 29165965 PTDGZRDMUZPYQC-GFCCVEGCSA-N 394.497 0.070 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 32643082 KTQNDPKSKZCMCQ-UHFFFAOYSA-N 382.442 0.340 0 40 GCAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)NC[C@H]3CCCO3)c2=O)CC1 49409196 BTGYOVPXCONBCQ-OAHLLOKOSA-N 397.497 0.564 0 40 GCAB Cn1nnc2c(N3CC(C(=O)NCc4nc(-c5ccccc5)no4)C3)ncnc21 96096737 CTYGGACAJVEHFH-UHFFFAOYSA-N 391.395 0.561 0 40 GCAB COCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 101511910 HPTVAEOTRPXATO-CXTCDGGRSA-N 395.456 0.477 0 40 GCAB COCCN1C[C@@]2(F)CN(C(=O)c3cnc(SC)nc3C)C[C@@]2(F)C1=O 306133325 MILLJAOMLDSHHZ-HZPDHXFCSA-N 386.424 0.868 0 40 GCAB Cc1cccc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)n1 306133350 MJFFDINYFYMWKH-LSDHHAIUSA-N 381.436 0.778 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1C 408592366 LHOGFUSHECOPAI-AWEZNQCLSA-N 385.486 0.119 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H](C[C@@H]3CCOC3)C(=O)O)ccc21 547556468 UAWQGKQKYSJETR-CMPLNLGQSA-N 383.426 0.035 0 40 GCAB NS(=O)(=O)NC[C@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 593292273 ZVDRCOXTRWLCPS-XKMJEZSVSA-N 384.546 0.432 0 40 GCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1cc(C)on1)CC2 1772595399 STMKVKVWBQMEAU-MRXNPFEDSA-N 391.472 0.020 0 40 GCAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CCS(C)(=O)=O)C1 2055754625 KWNKPHHHGGCOJO-GOSISDBHSA-N 381.498 0.983 0 40 GCAB C[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 6602094 VZLGULSBJHTJAV-CYBMUJFWSA-N 391.449 0.534 0 40 GCAB O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8026768 DFHQBNCOIHIRHR-UHFFFAOYSA-N 387.458 0.192 0 40 GCAB COC(=O)COc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 11692418 IOWQLUCXIWBTDP-UHFFFAOYSA-N 385.380 0.137 0 40 GCAB CC(=O)c1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12786767 UNNSAUADRPHKAY-GFCCVEGCSA-N 377.422 0.993 0 40 GCAB CCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccsc2c1=O 12825357 LDSKKRMCQRYLJN-SECBINFHSA-N 387.508 0.873 0 40 GCAB COc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 14183823 VHOCCYJXZQTAPA-HNNXBMFYSA-N 395.481 0.484 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCOCC1 15592793 UEDPSTVGBBXCTH-UHFFFAOYSA-N 397.497 0.078 0 40 GCAB COc1cc(C(c2c(O)nc(C)[nH]c2=O)c2c(O)nc(C)[nH]c2=O)ccc1O 16363260 XSABRBUNXITBJJ-UHFFFAOYSA-N 386.364 0.776 0 40 GCAB CCc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)on1 19522791 NAMADSLYDQXLMI-CYBMUJFWSA-N 395.485 0.996 0 40 GCAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@H]3CCCO3)C1)C2=O 19699809 GDVOQUAORSQCOZ-LSDHHAIUSA-N 378.473 0.563 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)cc1 20732554 BMNVVEXLYCZIBC-HNNXBMFYSA-N 382.420 0.989 0 40 GCAB NC(=O)c1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 22803068 UJMJKKQGKPJDEC-UHFFFAOYSA-N 387.484 0.354 0 40 GCAB CCCN1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC)CC1 23477199 SAAWZXJXXLXVSV-UHFFFAOYSA-N 382.486 0.908 0 40 GCAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C1 25393815 BYQRTEOIKOQYNN-INIZCTEOSA-N 388.468 0.825 0 40 GCAB COc1cc(OC)nc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)n1 32789204 VEGOWYOSUDHSMQ-UHFFFAOYSA-N 391.775 0.528 0 40 GCAB COc1c2c(c(S(=O)(=O)NCCCN(C)C)c3c1OCO3)CCN(C)C2 40313016 OMSDUQVOIJOSAW-UHFFFAOYSA-N 385.486 0.642 0 40 GCAB biogenic C[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)N1C(=O)NC2(CCCC2)C1=O 58344143 CDBHSUMJLOCELG-OAHLLOKOSA-N 392.500 0.810 0 40 GCAB COc1ccc(CC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 95998980 UPONVIOPFZMVQY-KRWDZBQOSA-N 382.482 0.891 0 40 GCAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ncncc2C1 96122754 UQGWILWBRDYSND-UHFFFAOYSA-N 388.449 0.696 0 40 GCAB COCCN1CC=CC[C@@H](C2CCN(C(=O)CCn3cnnn3)CC2)C1=O 257296910 REZDUJHNBHXIJO-INIZCTEOSA-N 376.461 0.353 0 40 GCAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)C4CC4)C2)C3)cc1 306129704 IKLKMKNPQZVWII-NRFANRHFSA-N 396.447 0.647 0 40 GCAB COCC(=O)Nc1c(S(=O)(=O)N2CCOCC2)cnn1-c1ccccc1 306143841 YOAIKXASZWDSIR-UHFFFAOYSA-N 380.426 0.478 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccc(F)cc2C)nc(N2CCOCC2)n1 575606856 LZZGFTMIHCSJAU-UHFFFAOYSA-N 397.432 0.643 0 40 GCAB Cc1cc(=O)n(CC(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cn1 1888876299 LOXQNZDDACAKAN-HOTGVXAUSA-N 394.479 0.734 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)C5CC5)C[C@H]4C3)ncnc21 1888901090 GCKOCERJLAQKFR-CHWSQXEVSA-N 392.485 0.333 0 40 GCAB O=S1(=O)N=C(N2CCN(c3ccc(-n4cccn4)nn3)CC2)c2ccccc21 1889205687 BXMUOZCRLVPAKM-UHFFFAOYSA-N 395.448 0.933 0 40 GCAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 928653 VKQZTYJZTDECDD-PHIMTYICSA-N 379.486 0.852 0 40 GCAB Nc1ncc(CNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(N)n1 1703617 PQXFYWOIMDJZMU-LBPRGKRZSA-N 388.384 0.301 0 40 GCAB COC(=O)C[C@@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)OC 2154821 AXQDYRNYPVQJIH-RWMBFGLXSA-N 393.465 0.247 0 40 GCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1C 9491155 XTVFCRZAUBSQAO-UHFFFAOYSA-N 386.459 0.200 0 40 GCAB CC(=O)COc1cc(S(=O)(=O)N2CCCC2)ccc1N1CC(=O)N(C)C1=O 12388942 JOQYYRJFVUACFO-UHFFFAOYSA-N 395.437 0.837 0 40 GCAB Cn1c(N(CCN2CCOCC2)C(=O)/C=C\c2ccccc2)cc(=O)n(C)c1=O 17126425 LXKAMCFFSQYYSD-HJWRWDBZSA-N 398.463 0.463 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)c2ccco2)c1 31646350 ABXAIJNAMIMDNW-UHFFFAOYSA-N 381.410 0.428 0 40 GCAB CC(C)C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 32903086 JSAKFNCUHVPERS-CYBMUJFWSA-N 382.486 0.881 0 40 GCAB COCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1cccnc1)Cn1ccnc12 96243836 CAQZDGSLMABTOG-INIZCTEOSA-N 399.451 0.457 0 40 GCAB CSCC[C@@H](NC(C)=O)C(=O)NCc1nnc2ccc(N3CCCC3)nn12 238827092 DZYJOSJWCQHSOJ-CYBMUJFWSA-N 391.501 0.599 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cncc(C)c2)[C@H](O)[C@H]1O 257222440 DTHOIVXSVHLOFH-VDERGJSUSA-N 397.439 0.427 0 40 GCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 1565543488 WVEICINOTNIHLR-SQNIBIBYSA-N 383.456 0.539 0 40 GCAB CN(C(=O)c1cnc[nH]1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775970694 HYFDNUFWGRLFCE-UHFFFAOYSA-N 375.396 0.870 0 40 GCAB COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC 2436579 NVPCMICHUTXKJC-UHFFFAOYSA-N 399.451 0.904 0 40 GCAB CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CO)C(=O)O 4090838 GGRYPFSCIGRZAP-STQMWFEESA-N 392.412 0.131 0 40 GCAB biogenic Cc1nc(SCC(=O)NCCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138828 LUOLYXQYNPLSFZ-UHFFFAOYSA-N 399.476 0.787 0 40 GCAB CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(=O)O 5663012 XMBALOPFHUNRAP-HNNXBMFYSA-N 379.413 0.789 0 40 GCAB C[C@@H]1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 5907153 DAKZFJKRUOIDBK-VMFRVMOISA-N 396.465 0.756 0 40 GCAB Cn1c(=O)n(CC(=O)NCCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6759651 MAAWFZHNUAFLKI-UHFFFAOYSA-N 381.454 0.112 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1)OCc1cc(=O)n2ccsc2n1 7238689 OSIMBKOIDFRZRZ-UHFFFAOYSA-N 379.419 0.778 0 40 GCAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)no1 9665572 FGLFYVAHFVQBNT-QGZVFWFLSA-N 396.367 0.364 0 40 GCAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCS(=O)(=O)CCC(N)=O)C1=O 14277079 JHRRJFBEAGUHJU-SFHVURJKSA-N 393.465 0.233 0 40 GCAB CC1CCC(NC(=O)COC(=O)c2nccnc2C(=O)N2CCOCC2)CC1 32928565 MNWXPVNFHJIJOJ-UHFFFAOYSA-N 390.440 0.801 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCOC[C@H]3CCCO3)ccc21 51134807 GAIDEMRLRYFDFI-CYBMUJFWSA-N 383.470 0.741 0 40 GCAB CN1CCN(CC2CCN(C(=O)CNC(=O)COc3ccccc3)CC2)CC1 57065660 UWSKGVNUCHUZPJ-UHFFFAOYSA-N 388.512 0.668 0 40 GCAB COc1ccc(NC(=O)[C@H](C)N2CCN(C(C)(C)C(N)=O)CC2)cc1OC 72308871 FWEKARICQSZNSN-ZDUSSCGKSA-N 378.473 0.912 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2cccc(-n3cnnn3)c2)c1=O 90590772 VJXGYLNTDPSSTL-UHFFFAOYSA-N 382.306 0.006 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)CC1 90616414 SBRIWILZTKPKSZ-UHFFFAOYSA-N 397.497 0.920 0 40 GCAB O=C(NCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 95998812 VMWQXJJLZURDMV-MRXNPFEDSA-N 395.481 0.069 0 40 GCAB C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)CCO1 1512453370 QIZPASUGZLFOQR-CHWSQXEVSA-N 378.477 0.617 0 40 GCAB COc1ccc(S(=O)(=O)NC[C@]2(O)CCCc3occc32)cc1C(N)=O 1565523318 KJKKEGSZPHFIHZ-QGZVFWFLSA-N 380.422 0.890 0 40 GCAB CCN1C[C@@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)OCC1=O 2055784351 REDQHIOWIVAWIP-LJQANCHMSA-N 378.425 0.794 0 40 GCAB Cn1c(N)c(C(=O)CSc2nnc3[nH]c4ccccc4n23)c(=O)n(C)c1=O 3333334 QEBLSUFZTIQUNQ-UHFFFAOYSA-N 385.409 0.165 0 40 GCAB COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 5250885 HCOSOEHTYIEKQK-UHFFFAOYSA-N 391.449 0.948 0 40 GCAB COCCN(C(=O)CSc1nnc(C)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 7533719 NWQSOUAJSJBWFD-CYBMUJFWSA-N 388.515 0.676 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 8704595 FXCGBQLNVDEEDP-ZDUSSCGKSA-N 394.435 0.861 0 40 GCAB O=S(=O)(c1c(F)cccc1F)N1CCN(c2ccc3nnnn3n2)CC1 14728815 PDTXTZRQNHJJQM-UHFFFAOYSA-N 381.368 0.308 0 40 GCAB CC1CCN(c2nc([C@H](C)NC(=O)[C@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 19496994 KRVHYVRLFMFMQY-STQMWFEESA-N 382.486 0.618 0 40 GCAB COc1ccccc1NC(=O)CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1 21704507 IECQKHPQYQLHHN-UHFFFAOYSA-N 389.393 0.707 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2nccs2)o1 35597128 YSFRHQKIQQHVGH-UHFFFAOYSA-N 394.438 0.727 0 40 GCAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2nnc3n2CCCCC3)CC1 55528212 LUZRAXNFTZQTQY-IAGOWNOFSA-N 390.532 0.806 0 40 GCAB O=C(NCC1(O)CCOCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72304477 FXZJDJHHKGERFZ-CYBMUJFWSA-N 376.409 0.468 0 40 GCAB NC(=O)c1ccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)cc1 72401622 FTMOLWCBHCORJP-UHFFFAOYSA-N 387.392 0.588 0 40 GCAB CCc1n[nH]c(=O)c(CNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)c1CC 95431052 SCDHMVRLRWCTJJ-OAHLLOKOSA-N 384.502 0.571 0 40 GCAB Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCOCC3)C2)c2c(C)noc2n1 95999270 GKZDYCBHWCTSDP-UHFFFAOYSA-N 380.426 0.326 0 40 GCAB Nc1nc(/C=C(\O)c2ccccc2)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 104200547 TXHIENAAASYZJJ-AGBFSGEVSA-N 385.380 0.076 0 40 GCAB CCCNC(=O)N[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O 225504883 GRKZTAVOWNKSQB-MPESAESLSA-N 386.470 0.288 0 40 GCAB biogenic,in-vitro O=C(c1ccoc1)N1CCO[C@H](Cn2nnc3c(N4CCCC4)ncnc32)C1 306135933 PEVVGQBHHVPRQV-AWEZNQCLSA-N 383.412 0.956 0 40 GCAB Cc1noc([C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 578243938 XPGLOZAXXZMWSM-MFKMUULPSA-N 396.473 0.759 0 40 GCAB COCCn1ccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)n1 585094078 BHCVMLMZJFDPME-JFIYKMOQSA-N 399.451 0.442 0 40 GCAB CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@H]21 585109882 FXTOFPOAORVOKG-CYBMUJFWSA-N 387.419 0.463 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)NCc2nccnc2-c2cccnc2)cc1 585150487 SOYKMBVVHQXACA-UHFFFAOYSA-N 399.432 0.881 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccccc1O[C@H]1CCOC1 626437162 VFAQWVPKSOTETI-KBPBESRZSA-N 399.469 0.636 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)cn2)n(C)c1=O 6720833 USGNARDJRXANOY-UHFFFAOYSA-N 393.201 0.230 0 40 GCAB CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 7313581 YILWCGUMJIYBIX-FZKQIMNGSA-N 391.449 0.025 0 40 GCAB Cc1csc(=O)n1CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 7378002 AZDCPVINUHBISK-UHFFFAOYSA-N 399.375 0.795 0 40 GCAB CCn1c(CCC(=O)O[C@@H](C)C(N)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 8725574 QDJZPYJEBKEGOF-NSHDSACASA-N 396.469 0.656 0 40 GCAB O=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)C1CC1 11665916 FZZOCBRSMFDCIR-UHFFFAOYSA-N 393.455 0.469 0 40 GCAB Cc1ccc([C@@H](CNC(=O)Cn2nnc3ccccc3c2=O)N2CCOCC2)o1 25399299 SQQUEYTWHWFAFT-QGZVFWFLSA-N 397.435 0.883 0 40 GCAB Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 39539215 UAZIGFHNQSYENK-INIZCTEOSA-N 377.408 0.769 0 40 GCAB CCNC(=O)[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 60239919 MWPMEKIVYKBAHY-BIWSTMPVSA-N 378.473 0.862 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)C[C@H]2OC(=O)c3ccccc32)C[C@@H](C)O1 65476365 SEWNRHZVVWGABG-XJKCOSOUSA-N 396.465 0.843 0 40 GCAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O 96036562 VALSPKBTBFMAQU-KRWDZBQOSA-N 386.518 0.264 0 40 GCAB CCS[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 96077785 YPNFVZQPWZMHIF-ZVDSWSACSA-N 392.426 0.823 0 40 GCAB CCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257241205 HXCJMEQNKHRXDV-CBGDNZLLSA-N 399.495 0.381 0 40 GCAB CN1C[C@@H](C(=O)N(C)Cc2ccccn2)O[C@@]2(CCN(C(=O)N(C)C)C2)C1 306131584 KJEXRCYFKJTYGC-LPHOPBHVSA-N 375.473 0.497 0 40 GCAB CCn1ccnc1CN(C(=O)CN(C)C(=O)COC)[C@@H]1CC12CCNCC2 573207935 VTUDHTXVVIDHMH-OAHLLOKOSA-N 377.489 0.479 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccccc2Cl)nc(N2CCOCC2)n1 575605873 GBJXRQWTIGIFAX-UHFFFAOYSA-N 399.860 0.849 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)Cn2c(=O)oc3ccccc32)CC1 575616622 UHZHQRLJWRUZCL-UHFFFAOYSA-N 396.469 0.229 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 2055745868 JKOFYUMMGMENNO-UHFFFAOYSA-N 395.460 0.363 0 40 GCAB COC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)[C@@H](C)O 4015561 ZFRKCKWJPNCPAA-KCPJHIHWSA-N 396.440 0.867 0 40 GCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[C@@H]1COc2ccccc2O1 5216007 YSVPMMYVFGDETA-GFCCVEGCSA-N 388.401 0.787 0 40 GCAB COc1ccc(CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12790543 PWWLLTUYTRWKLF-CQSZACIVSA-N 393.465 0.519 0 40 GCAB Cc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc(=O)[nH]n1 12792359 PBJPZHUAQUEGNB-UHFFFAOYSA-N 391.391 0.773 0 40 GCAB NC(=O)Cn1nnc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c1=O 13685138 HGCBPFCVUIXFKR-UHFFFAOYSA-N 386.437 0.212 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566404 FEVMCZQGRMLCIT-IDZOXIJSSA-N 398.463 0.699 0 40 GCAB O=C(NCCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 24834750 NUINLPHESKKAFJ-UHFFFAOYSA-N 394.439 0.282 0 40 GCAB Cc1cc(N2C[C@H](C(=O)NN3CC(=O)NC3=O)CC2=O)ccc1Br 29023811 LFOBJGNFBCMTPI-SECBINFHSA-N 395.213 0.693 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)N3CCOCC3)ccc21 30595717 CZNLOUOPDHQQKH-CQSZACIVSA-N 395.437 0.143 0 40 GCAB CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 32916516 YRIHQCKTWGCYKN-UHFFFAOYSA-N 377.488 0.036 0 40 GCAB COCCNC(=O)Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 33104815 YMNKBSALEXLFID-UHFFFAOYSA-N 397.497 0.602 0 40 GCAB CCn1ncc(NC(=O)c2nn(C)cc2C(=O)O)c1C(=O)N1CCOCC1 36615454 QOKRKFRVEKYVRZ-UHFFFAOYSA-N 376.373 0.059 0 40 GCAB O=C1CN(c2ccc(NC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cn2)CCN1 40154185 JUJRIWZOTNALLJ-UHFFFAOYSA-N 382.424 0.834 0 40 GCAB CCN(C(=O)COC(=O)c1nc(C)n2c1CCCC2)[C@H]1CCS(=O)(=O)C1 79100791 GZSRZDGFUWEESG-ZDUSSCGKSA-N 383.470 0.720 0 40 GCAB CCS(=O)(=O)CCN(C)C(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 89272355 MLZHMDDUDIWSJP-UHFFFAOYSA-N 380.426 0.545 0 40 GCAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 95433725 DFIBGLBDGCQAJP-OLZOCXBDSA-N 377.488 0.432 0 40 GCAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1cnc2ccccc2c1=O 96116311 KIAUCRBLXLCAAU-UHFFFAOYSA-N 382.420 0.832 0 40 GCAB biogenic CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)O1 96243555 QSKNSHCGAJESKD-INIZCTEOSA-N 398.419 0.888 0 40 GCAB CC(C)C[C@H]1N[Sn]2(N[C@H](CC(C)C)C(=O)O2)OC1=O 196001496 QISVAQMAPFWLEN-WQZBAHQISA-L 377.029 0.544 0 40 GCAB NCc1ccc(C(=O)N2C[C@@H](O)[C@H](n3ccc4c(C(N)=O)ccnc43)C2)cc1 257244986 INPMJSGLNDCKDJ-IAGOWNOFSA-N 379.420 0.652 0 40 GCAB C[C@H](C(=O)NC[C@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704616 QOJULVVEMVXUMF-TZMCWYRMSA-N 384.454 0.908 0 40 GCAB Cc1cc(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@@H]3C2)ncn1 1889552654 QLSPFFQHELUDGM-HOTGVXAUSA-N 393.513 0.351 0 40 GCAB COC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1 4061437 PPOXPMFQGYZBRJ-UHFFFAOYSA-N 391.384 0.639 0 40 GCAB COC(=O)c1cn([C@H]2CO[C@@H]3[C@@H](NC(=O)NCc4ccccc4)CO[C@H]23)nn1 4260942 YMFWHSGUXJBQRH-CAOSSQGBSA-N 387.396 0.271 0 40 GCAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 5251172 OKOYMPWYBRLHKX-UHFFFAOYSA-N 383.376 0.910 0 40 GCAB CC(C)n1c(=O)n(CC(=O)NCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6759473 QSDCUQPWFGCTSK-UHFFFAOYSA-N 395.481 0.765 0 40 GCAB CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2n[nH]c(=O)c3ccccc23)C1 9623259 OCUUBRCIZSODSA-GFCCVEGCSA-N 386.408 0.341 0 40 GCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 11905928 ZDMLGDHNBBFLDL-CYBMUJFWSA-N 388.467 0.519 0 40 GCAB CS(=O)(=O)Nc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1 12324096 MYEHFIVMCOZPFE-UHFFFAOYSA-N 381.483 0.801 0 40 GCAB O=C(CN1CCN(c2ccccn2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 23642154 FZJHVKYHXIRXIQ-UHFFFAOYSA-N 386.456 0.490 0 40 GCAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 35898188 NQCSGJKNBZCZRS-FZCLSBEQSA-N 386.404 0.714 0 40 GCAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NC[C@H]1CCCO1 49421716 MOABSBDMRVPUKI-CYBMUJFWSA-N 395.412 0.510 0 40 GCAB Cc1cccc(CCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 58177975 GIYLFPNZJHLQDP-HNNXBMFYSA-N 377.466 0.819 0 40 GCAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 77263898 NZTCSRMJFQIAMY-NUJGCVRESA-N 398.525 0.860 0 40 GCAB biogenic,in-vitro COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231643205 NUBVHDVGVPFZKT-UHQDVWGKSA-N 378.450 0.932 0 40 GCAB COCCN1CN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)CC1=O 282173509 ILDPZDAPXYOEHL-UHFFFAOYSA-N 382.438 0.700 0 40 GCAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3ccn(CC(N)=O)n3)c2)cc1 521381257 ZTEIRIBXCJQCLY-UHFFFAOYSA-N 387.421 0.968 0 40 GCAB O=C(O)C1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCC1 580775576 BTNAQBRZDDJKQR-UHFFFAOYSA-N 396.465 0.720 0 40 GCAB O=C(O)CN1CCCC[C@@H](N2CCN(C(=O)c3ccccc3O)CC2)C1=O 643872853 LSYZSAAKGLMMMX-OAHLLOKOSA-N 375.425 0.616 0 40 GCAB Cc1cc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)n2ncnc2n1 676309131 DIXLAWQGDNSNOK-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB CN1C(=O)N[C@@]2(CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C2)C1=O 676650098 OCKBXCRWVFTMRO-MRXNPFEDSA-N 395.441 0.095 0 40 GCAB COCC(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cc(C)cc(F)c3)[C@@H]2C1 1534645780 CBYOVAUJOWHHQP-CVEARBPZSA-N 386.445 0.522 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)CN(C)C(C)C)CC2)CN1S(C)(=O)=O 1565543052 MWFSOFFSMRDPKV-OAHLLOKOSA-N 375.535 0.616 0 40 GCAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(S(=O)(=O)C1CC1)CC2 2055814153 BFQVCNULAYHIGE-UHFFFAOYSA-N 378.498 0.682 0 40 GCAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)nn1C 2732645 HDOGIGJEXLIKRJ-CYBMUJFWSA-N 380.474 0.810 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 4338724 CFUXLAOVUHOFBT-LBPRGKRZSA-N 389.499 0.374 0 40 GCAB COc1cccc(N2C(=O)C(=O)N(CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)c1 12846007 SDQIYFDRANYYSE-RYUDHWBXSA-N 375.381 0.626 0 40 GCAB CN(C)[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccsc1 25332485 LPUBWCANBUPZCS-CQSZACIVSA-N 387.465 0.726 0 40 GCAB O[C@@H](COCc1ccco1)CN1CCN(C[C@@H](O)COCc2ccco2)CC1 25480314 WXKLDSNYXJUAKV-QZTJIDSGSA-N 394.468 0.945 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 41167240 PGUVJHAAVXWBHU-GJZGRUSLSA-N 379.482 0.827 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccccc3F)C2=O)CC1 49381436 HFEKDUZVKQITEX-UHFFFAOYSA-N 384.433 0.172 0 40 GCAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N3CCN(C(C)C)CC3)snc2c1=O 49409895 AMQGEWXHURUHFL-UHFFFAOYSA-N 379.486 0.969 0 40 GCAB CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1sccc1C(=O)OC 72305051 IKLNOPWGWOXCQD-UHFFFAOYSA-N 391.471 0.261 0 40 GCAB O=C(CCN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1cccc(Br)c1 79023226 IEZFQHAFUYIHGN-ZDUSSCGKSA-N 395.257 0.420 0 40 GCAB Cn1cnc(S(=O)(=O)NCC(=O)NCCc2nc3c(s2)CCCC3)c1 89756621 NVZCUELMDSQJFB-UHFFFAOYSA-N 383.499 0.393 0 40 GCAB CCS(=O)(=O)N1CC[C@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244616 UNTQGHKVZNWFBJ-QGZVFWFLSA-N 382.486 0.445 0 40 GCAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn23)C1 96267624 HVDOTEVMRHPPAR-GOEBONIOSA-N 399.499 0.976 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCS(=O)CC[C@@]56[C@H]2[C@H]43 104287744 RJOVTMHCDKITPS-YFEQIJLLSA-N 381.457 0.931 0 40 GCAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC(N3C(=O)CNC3=O)CC1)C(=O)C2 253406769 UWTWUSNSPCHJPO-KPZWWZAWSA-N 397.497 0.728 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCOCC1)c1cccnc1 257290314 QCJIKDSGGFXWEJ-YRXWBPOGSA-N 384.436 0.488 0 40 GCAB CCCS(=O)(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O 306134847 NZQNJFCNCGRYFI-CYBMUJFWSA-N 389.499 0.393 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)O)[C@@H]1CCS(=O)(=O)C1 319657365 FDXYWYTVZHHDHU-LLVKDONJSA-N 381.859 0.911 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408620926 KKYFMVGMGHXUSP-UHFFFAOYSA-N 399.513 0.544 0 40 GCAB Cc1nnsc1C(=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1 575604747 APKSKFYSAISDDZ-UHFFFAOYSA-N 390.473 0.398 0 40 GCAB COCCN1C(=O)C[C@H](CNC(=O)N2C[C@@H]3C[C@H]2CO3)[C@H]1c1cnn(C)c1 585123333 XXIQDLKNSDQCFG-DYWXZXKOSA-N 377.445 0.139 0 40 GCAB CC(=O)N1CCN(CC2(O)CCN(c3ccccc3)CC2)C[C@@H](C(=O)O)C1 585284453 SJWFNXLKUWSKIY-QGZVFWFLSA-N 375.469 0.883 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 681944110 SXZDCNPRSUKRFI-HNNXBMFYSA-N 389.408 0.345 0 40 GCAB COCCN1[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2OCCS1(=O)=O 1534645820 IMLUXZCILNZJAY-PBHICJAKSA-N 384.454 0.277 0 40 GCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)c4cccn4C)C[C@H]23)n1 1549162903 WWHRIDNXZPRPLN-HNNXBMFYSA-N 382.424 0.659 0 40 GCAB O=C(NCC(F)(F)F)C1(n2cccn2)CCN(S(=O)(=O)C2CC2)CC1 2055773113 YAZCEDVNYZUZTN-UHFFFAOYSA-N 380.392 0.845 0 40 GCAB CCN=c1cc(C)nc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)[nH]1 2086889233 UAPOGOFMACCXKD-IYBDPMFKSA-N 376.505 0.397 0 40 GCAB CN1C(=O)[C@@H](CC(N)=O)N(NC(=O)c2ccc(Br)cc2)C1=S 2225421 MDPJTXXKCZEWOL-SECBINFHSA-N 385.243 0.397 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C)C2)cc1 3656307 KNLJPAHCXCZGRN-UHFFFAOYSA-N 382.471 0.101 0 40 GCAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1C 4303899 ZUXZQYORTYGDFY-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(O)cc2O)c(=O)n(C)c1=O 6080921 BSZRAZQCERKCRG-UHFFFAOYSA-N 391.380 0.236 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1 6955507 MYYAIBLIKWKUAD-UHFFFAOYSA-N 397.497 0.791 0 40 GCAB Cn1c(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc(=O)n(C)c1=O 11478306 KTFNPCBGDRDFDP-HXUWFJFHSA-N 382.420 0.540 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 12183470 OQNGLMFEQBYIIX-UHFFFAOYSA-N 396.451 0.858 0 40 GCAB O=C(NC[C@H]1COc2ccccc2O1)C(=O)NC[C@@H]1COc2ccccc2O1 13464809 TUTVPOULEBADMC-OKILXGFUSA-N 384.388 0.899 0 40 GCAB CS(=O)(=O)NC1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29997474 KJBDGVHMEGBZMU-UHFFFAOYSA-N 395.533 0.590 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ncccc1O 58218229 TZCSEWRFZAOYHF-UHFFFAOYSA-N 377.422 0.738 0 40 GCAB O=C(CNC(=O)c1cnccn1)Nc1ccc(N2CCCS2(=O)=O)cc1 72404172 MLNQOQXVXWZUNL-UHFFFAOYSA-N 375.410 0.385 0 40 GCAB O=C(Cn1ncc2ccccc2c1=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 94993155 LHYNPJWICKNKLP-UHFFFAOYSA-N 391.387 0.216 0 40 GCAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(S(=O)(=O)NC)cn1 96013495 KYIJDTVRCGKYNM-UHFFFAOYSA-N 387.487 0.649 0 40 GCAB NC(=O)c1c(NC(=O)CN2CCN(c3cnccn3)CC2)sc2c1CCC2 96988761 UZJQHTHNIPONMX-UHFFFAOYSA-N 386.481 0.886 0 40 GCAB Cc1ccc(CCNC(=O)[C@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1 257336025 YMVDOUHPHJDUEH-MRXNPFEDSA-N 391.497 0.792 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(S(=O)(=O)C4CCCCC4)C[C@@H]3C2)cc1=O 1888847553 YHDWPQHIRHNALE-STQMWFEESA-N 382.486 0.516 0 40 GCAB CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 4504863 CHEDHMSRTJFGSB-CQSZACIVSA-N 386.495 0.730 0 40 GCAB OC[C@@H]1O[C@@H](n2cnc3c(Nc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O 5515036 ONONMLMFXBFTIS-MZXFEWSRSA-N 377.788 0.835 0 40 GCAB CCn1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 6490362 UHBBAKIHWIINST-KGLIPLIRSA-N 394.501 0.915 0 40 GCAB NC(=O)COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 7580853 IRSITNKBQQTFEG-UHFFFAOYSA-N 386.360 0.753 0 40 GCAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299749 IMSMXNAXBBPXRK-XHSDSOJGSA-N 377.489 0.513 0 40 GCAB biogenic,in-vitro O=C(NCCNC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1)c1ccncc1 9059769 FBCCIQMZWQTRSX-UHFFFAOYSA-N 394.439 0.511 0 40 GCAB O=C(NCCN1CCCCC1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9340532 DTXHQVFPASAUPC-UHFFFAOYSA-N 388.468 0.700 0 40 GCAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 9939441 ULDZFQWNCWGFPE-FZMZJTMJSA-N 380.422 0.950 0 40 GCAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029285 NRULJKMMZGRVGW-UKRRQHHQSA-N 387.479 0.556 0 40 GCAB COCCN1C[C@H](C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)CC1=O 12367363 XXCYVMFGKZMHGO-CHWSQXEVSA-N 377.445 0.059 0 40 GCAB CC(C)Oc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(=O)N(C)C1=O 13690196 ISOJXERRWUOZIH-UHFFFAOYSA-N 397.453 0.893 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)cc1 13846150 WRGQJTOIKBDANL-UHFFFAOYSA-N 375.410 0.993 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1cccnc1 31820078 GSJKDOVNLNZGRJ-INIZCTEOSA-N 388.449 0.277 0 40 GCAB C[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12 72347016 ZATVNBZASWPHGI-QWHCGFSZSA-N 384.440 0.631 0 40 GCAB O=C(/C=C/c1cncc(F)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998953 HNZNEVMFZQVFQA-QDLOVBKTSA-N 383.445 0.887 0 40 GCAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 101274366 LBKTXORYFRLPMA-AWEZNQCLSA-N 375.381 0.791 0 40 GCAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904924 REGOGKRMQHJKRS-MRXNPFEDSA-N 393.407 0.546 0 40 GCAB COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1csnc1C(=O)OC 533552525 ABLXNFYSPNKIIO-SNVBAGLBSA-N 392.455 0.663 0 40 GCAB CNC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1cccc2c1OC(F)(F)O2 643821569 XBFRFXSSPVAJQL-LLVKDONJSA-N 376.381 0.743 0 40 GCAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 644404211 CZZDXAHDPKIDJP-KXBFYZLASA-N 392.504 0.404 0 40 GCAB COCC(=O)N1CCN2CC(=O)Nc3cc(-c4cnn(C)c4)ccc3OC[C@@H]2C1 1772594474 DLMRGTUEOKDOIR-INIZCTEOSA-N 399.451 0.577 0 40 GCAB CC(C)(C)OC(=O)NC(=N)NOCC[C@H](NC(=O)OC(C)(C)C)C(N)=O 1772714963 USNCFBSRUSQHQU-VIFPVBQESA-N 375.426 0.736 0 40 GCAB CC(C)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)O 4025662 CZUIZHWORLDXSN-UKRRQHHQSA-N 379.413 0.772 0 40 GCAB biogenic CN(C)C(=O)COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6879591 TYKMWXQMYDEQPT-GFCCVEGCSA-N 379.438 0.479 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H](c3cnn(C)c3C)NS(=O)(=O)N2C)c1 12130870 PLTLZSUVCKJCSM-ZFWWWQNUSA-N 393.469 0.961 0 40 GCAB NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20611142 DSSCUBXFHQNDJP-NCLAMWEWSA-N 382.420 0.225 0 40 GCAB biogenic O=C(NCCCN1CCOCC1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 22908443 CUOVDAFWDWNMKO-UHFFFAOYSA-N 386.452 0.299 0 40 GCAB Cn1c([C@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)Nc2ccccc2)c1=O 23141164 XPLYPFOPXKRYBB-ZDUSSCGKSA-N 393.469 0.360 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 38730444 KATVDUJTHIBTJI-HZPDHXFCSA-N 387.411 0.749 0 40 GCAB OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 39205864 HSTZMXCBWJGKHG-UABZBGRASA-N 390.388 0.447 0 40 GCAB in-vitro CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)nn2)c1 77099909 WJJWUHALIKRDCL-UHFFFAOYSA-N 377.426 0.937 0 40 GCAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O 95439473 SPWBVWRZXMMPKB-KRWDZBQOSA-N 388.384 0.196 0 40 GCAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)n(-c2ccccn2)n1 95446638 OLFKYZPOICOXCU-HNNXBMFYSA-N 396.455 0.667 0 40 GCAB C[C@H]1CN(c2ccc(NC(=O)C3C(=O)NC(=O)NC3=O)cc2F)C[C@@H](C)O1 100687409 CGIFBOXNUWLNBX-DTORHVGOSA-N 378.360 0.360 0 40 GCAB CCN1C[C@]2(O)CC[C@H](O)[C@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 100763648 MXPKDWCRJAGSTO-IKEVVDDTSA-N 393.524 0.630 0 40 GCAB COC(=O)[C@H]1C2[C@@H]3[C@@H]4C([C@H]5[C@@H]2C3(OC(C)=O)C45COC(C)=O)[C@H]1C(=O)OC 104283496 AAIDZJWLJGLDMD-GZXDWMCDSA-N 378.377 0.181 0 40 GCAB NC(=O)[C@@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 107351585 FTSGGRKWNOFKOT-KCJUWKMLSA-N 390.753 0.755 0 40 GCAB O=C(COC(=O)CCn1ccc(=O)[nH]c1=O)Nc1nc2ccc(F)cc2s1 223809450 QHFKQYBBJGTQGT-UHFFFAOYSA-N 392.368 0.857 0 40 GCAB O=C(NCCC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1)c1cccnc1 257263561 LQNXCYBCSUROOM-HXUWFJFHSA-N 390.484 0.277 0 40 GCAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)Cc1ccc2c(c1)OCCO2 262558429 XIMHEEDKNGNJDT-UHFFFAOYSA-N 376.409 0.782 0 40 GCAB CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)C1 285311111 DVMXHSMVZIRVEY-LBPRGKRZSA-N 394.446 0.568 0 40 GCAB CN1C[C@H](C(=O)N(C)Cc2ccccn2)O[C@]2(CCN(C(=O)N(C)C)C2)C1 306131586 KJEXRCYFKJTYGC-VQIMIIECSA-N 375.473 0.497 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cc1 575619355 JSEUCBQJFURBTJ-UHFFFAOYSA-N 390.465 0.801 0 40 GCAB COc1ncccc1NC(=O)NC[C@H](CO)NC(=O)Nc1cccnc1OC 585079674 ZLUHUKZTYBUXRJ-LLVKDONJSA-N 390.400 0.798 0 40 GCAB CN(C)C(=O)CN1CCOCC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 585102454 RQZRXOPGSSKJKM-UHFFFAOYSA-N 378.448 0.864 0 40 GCAB CN1C[C@@H](C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)CC1=O 585594125 TWDJEKQFCWKQAZ-ZDUSSCGKSA-N 383.456 0.517 0 40 GCAB O=C1CN(C(=O)CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCN1 604418801 DOONKCUGNLLAGO-UHFFFAOYSA-N 378.860 0.727 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)Nc3cncc(OCC(F)(F)F)n3)cnc21 622156312 PSECPGMACLSYQD-UHFFFAOYSA-N 383.290 0.500 0 40 GCAB COC(CNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)OC 4193517 KGQALWPHEDRXSD-QWHCGFSZSA-N 399.494 0.716 0 40 GCAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccn2)cc1 4271449 JCAZUFWDXGATND-KRWDZBQOSA-N 398.419 0.321 0 40 GCAB CCn1c(=O)c2c(nc(N3CCN(C)CC3)n2Cc2ccccc2)n(C)c1=O 4891488 YRLZRZJROZPWHZ-UHFFFAOYSA-N 382.468 0.717 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCC(C)C 11906077 BMOFSUSXNSFLKM-UHFFFAOYSA-N 376.456 0.696 0 40 GCAB Nc1nonc1-c1nc2ccccc2n1CC(=O)NCCCN1CCOCC1 13495647 SHZCGHOZFYOGNI-UHFFFAOYSA-N 385.428 0.507 0 40 GCAB Cc1cc(NC(=O)[C@H](C)On2nnc3ccc(S(=O)(=O)N(C)C)cc32)no1 15392901 UMNKHGQWAMARFL-JTQLQIEISA-N 394.413 0.434 0 40 GCAB CCn1c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cnc1SC 19524183 QMRZTLXNMXQYPA-UHFFFAOYSA-N 389.547 0.320 0 40 GCAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)CN2CCCCCC2=O)CC3)C1 19709282 CTFDNYBAIPHTJW-INIZCTEOSA-N 388.516 0.875 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(N)=O)n2N)c1 20894678 JBGTXIDVCYLKSH-JTQLQIEISA-N 398.514 0.655 0 40 GCAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCOCC1 21870956 RWFIKJYFEHCQJM-INIZCTEOSA-N 384.454 0.620 0 40 GCAB C[C@@H](C(=O)N1CCN(C)CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326760 KELYHUNEGZIDFZ-BTYIYWSLSA-N 399.495 0.713 0 40 GCAB CN1CCc2cc([C@H](O)CNC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21 96362440 PNLTUQCARYXWHY-QGZVFWFLSA-N 381.498 0.500 0 40 GCAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O)C(=O)O 101273579 DHBQQLWKZUFZDM-RYUDHWBXSA-N 380.378 0.339 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)s1 206911047 IBQOEFFDSSNRAU-UHFFFAOYSA-N 391.482 0.938 0 40 GCAB CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CS(=O)(=O)C[C@@H]1O 217368813 SHTDXSWXSHAZDJ-KGLIPLIRSA-N 376.475 0.299 0 40 GCAB CN1CC2(CN(CCOCc3ccccc3)C2)OC[C@@H]1C(=O)N1CCCO1 247961391 FHLVAKVPHAHXAO-GOSISDBHSA-N 375.469 0.752 0 40 GCAB Cc1cc2c(N3CCN(C(=O)COCc4ncnn4C)CC3)ncnc2s1 585082788 IILNSSCGSHBDIY-UHFFFAOYSA-N 387.469 0.994 0 40 GCAB Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 1630042471 NIAHGHQIIFQUIS-GDBMZVCRSA-N 384.440 0.595 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CC2)cc1 4569445 KVLLYKPJJXQBNM-CYBMUJFWSA-N 381.454 0.243 0 40 GCAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[C@@H](C(=O)N(C)C)N3)[C@H](C)[C@H]12 5736075 FSTGLKRHSQANLP-PQTSNVLCSA-N 383.470 0.040 0 40 GCAB world COC(=O)c1c(NC(=O)C(=O)N2CCNCC2)sc2c1CC(C)(C)OC2 6759427 YBOARDJVPVBKOO-UHFFFAOYSA-N 381.454 0.756 0 40 GCAB CCc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2c(N)[nH]c(=O)[nH]c2=O)s1 9485659 DZSQPTHCPMGTQF-UHFFFAOYSA-N 386.393 0.461 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)NC3CCN(C(=O)c4ccco4)CC3)cnc21 11531042 WKSSDXSZQBBUEG-UHFFFAOYSA-N 384.396 0.144 0 40 GCAB Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2ccccc2n1 12544413 FOZMKKRRLWRSAG-UHFFFAOYSA-N 378.392 0.929 0 40 GCAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc21 12562284 AGZNDBVFWNDIKK-JTQLQIEISA-N 385.424 0.259 0 40 GCAB CC(=O)Nc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12790987 VZLVGJVPLPPCQX-CQSZACIVSA-N 392.437 0.749 0 40 GCAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCN3CCOCC3)cc2s1 13692668 UMNKEGNKFNGKOO-UHFFFAOYSA-N 384.483 0.730 0 40 GCAB C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccc2c(c1)OCCO2 14124392 PRUPCCPCXHQJNY-NSHDSACASA-N 388.424 0.141 0 40 GCAB CN(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 14183324 DQCXKJSTIIVJLE-UHFFFAOYSA-N 379.232 0.359 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 16189416 IHGZNTGFOUAODR-UHFFFAOYSA-N 399.450 0.503 0 40 GCAB COC[C@@H](C)NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19456628 GRHKCPALEJREIA-JLTOFOAXSA-N 389.452 0.711 0 40 GCAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)cc1 20046404 KPVTWLOARSXSTA-UHFFFAOYSA-N 385.486 0.154 0 40 GCAB NC(=O)CSc1nnc(N2CCN(C(=O)COc3ccccc3)CC2)s1 23141519 ZGALRILJNCEALI-UHFFFAOYSA-N 393.494 0.843 0 40 GCAB CN(CC(=O)OCC(=O)N1CCN(c2ccccc2F)CC1)c1ncccn1 23173635 OXTOVUCBTSSHPP-UHFFFAOYSA-N 387.415 0.944 0 40 GCAB Cn1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(=O)n(C)c1=O 24345425 VWLKXIOHQNDLGK-INIZCTEOSA-N 386.433 0.547 0 40 GCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccnc(N2CCOCC2)c1 25290721 VZSSYOVWZYADSM-UHFFFAOYSA-N 398.419 0.693 0 40 GCAB CC(=O)N1C[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)Oc2ccccc21 35325083 HEMDOAGIGUAAHY-SFHVURJKSA-N 386.452 0.223 0 40 GCAB COc1ccccc1OCC(=O)NCCOc1cc(N2CCOCC2)ncn1 35598377 WLRZQJGWXJNMKV-UHFFFAOYSA-N 388.424 0.896 0 40 GCAB CC(C)c1noc(CN2CCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC2)n1 36829982 UXJRJFMIOWWLRL-UHFFFAOYSA-N 394.520 0.684 0 40 GCAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@@H]1CCCO1 72326014 RUFBLEWFMGHEES-VBKZILBWSA-N 387.436 0.813 0 40 GCAB COc1cc2nc(C)n(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c2cc1OC 72405033 ZSWZGIKRPYQEPB-NSHDSACASA-N 395.437 0.025 0 40 GCAB Cn1c(=O)c2[nH]c(CN3CCNC(=O)C[C@H]3c3ccccc3)nc2n(C)c1=O 89745362 VSGOCAZJFSENEK-ZDUSSCGKSA-N 382.424 0.024 0 40 GCAB COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(N)=O)CC4)c3CO2)cc1 97161375 VMNQKRJALWUAKS-INIZCTEOSA-N 385.424 0.896 0 40 GCAB O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CCN(c2ccccn2)C1 206826429 DLWGTPSQCJUCIQ-CQSZACIVSA-N 378.429 0.894 0 40 GCAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222892122 BSFICBGMOWDCPL-CYBMUJFWSA-N 387.477 0.960 0 40 GCAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCCn1nc2c(cc1=O)CCC2 575621492 XKZBCMAKHJUZPU-UHFFFAOYSA-N 397.460 0.834 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(c2nc3ccccc3s2)CCO1 662890979 BRUIMEBISZVYHP-NSHDSACASA-N 385.467 0.848 0 40 GCAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2nc(-c3cnccn3)no2)CC1 1558124784 KPKWMQJMUIUJLP-UHFFFAOYSA-N 385.428 0.473 0 40 GCAB CC(=O)c1cc(C(=O)N2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)n[nH]1 1565553351 VGDUTPUMJQZXOS-GFCCVEGCSA-N 375.433 0.059 0 40 GCAB O=C1NC(=O)C2(CN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C2)N1 1633317990 JCRUHHSGKAZFDW-QMMMGPOBSA-N 395.778 0.188 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(S(=O)(=O)N(C)C)C2 2055814199 LXCXNKKQUZLXQZ-HNNXBMFYSA-N 386.499 0.194 0 40 GCAB COCCCn1c(C)c(C)n2c3c(=O)n(CCC(=O)OC)c(=O)n(C)c3nc12 4314335 JFGRHFAQCVHJKT-UHFFFAOYSA-N 391.428 0.366 0 40 GCAB Cc1cccc(OC[C@@H](O)Cn2c(NC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 12232266 GALQFUPVDDVVEK-ZDUSSCGKSA-N 387.440 0.992 0 40 GCAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc3nncn3n2)CC1 13700258 PUUZVTBXKMGQBB-ZDUSSCGKSA-N 396.407 0.969 0 40 GCAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 19572838 PALSTCBJXLUSOM-OAHLLOKOSA-N 394.497 0.941 0 40 GCAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 26536217 BVSYRAZUZUUZCP-CQSZACIVSA-N 397.472 0.950 0 40 GCAB Cc1nc(C)c(CC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c(=O)[nH]1 47182208 ZJOYRAGFWMHQPI-UHFFFAOYSA-N 397.479 0.633 0 40 GCAB Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ncccc3O)CC2)cn1C 51341046 NNMJNHBXNZROQB-UHFFFAOYSA-N 379.442 0.869 0 40 GCAB COCc1cc(=O)n(CC(=O)NCc2ccccc2F)c(N2CCOCC2)n1 67319494 ZCZRTYDYUYSUIH-UHFFFAOYSA-N 390.415 0.682 0 40 GCAB N=C(N)NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 101054844 GWGMPAPKEJIMBI-VXGBXAGGSA-N 382.829 0.880 0 40 GCAB COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)cc1 217750554 NUZITWUDSJBVKP-UHFFFAOYSA-N 385.423 0.933 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1cccnc1 225382596 BGZVKYGFVYSBFP-MSOLQXFVSA-N 393.447 0.035 0 40 GCAB biogenic,in-vitro COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653760 FRHDVIGBUDBSBW-GNTOHDJUSA-N 384.388 0.984 0 40 GCAB CCCN1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)c4ccccn4)CC3)[C@H]2C1 585106056 HZKJTFISMJNNDT-CABCVRRESA-N 378.498 0.693 0 40 GCAB Cc1cc(CN2C(=O)CC3(CCN(S(C)(=O)=O)CC3)n3nccc32)no1 1772596504 NJNNBTJICDQARS-UHFFFAOYSA-N 379.442 0.867 0 40 GCAB COC1(C)CCN(C(=O)[C@H]2C[C@]3(CO2)CN(Cc2cnc[nH]2)CCO3)CC1 2056226469 RXBWCMJYAMVNNM-VQIMIIECSA-N 378.473 0.797 0 40 GCAB COc1ccccc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243229 TXHQHXXVLSLCGV-AWEZNQCLSA-N 391.449 0.600 0 40 GCAB CCN1C(=O)[C@H](CC(N)=O)N(NC(=O)c2ccc(Br)cc2)C1=S 1441922 DRURELKXJADXOQ-JTQLQIEISA-N 399.270 0.787 0 40 GCAB Cc1ccc(OC[C@@H](O)Cn2c(N(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 2449896 YLEISUIPRWLSKU-ZDUSSCGKSA-N 387.440 0.248 0 40 GCAB CC(=O)NC[C@H]1CN(c2ccc(N3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 3810826 UYMQTPUEEPRWLS-ZDUSSCGKSA-N 385.417 0.522 0 40 GCAB CN(C)C(=S)SCC(=O)NCCNC(=O)CSC(=S)N(C)C 5205818 NVPFDZINQGXCPB-UHFFFAOYSA-N 382.602 0.378 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@H](O)COc3ccccc3)ccc21 12239133 OSRYEYFEYWGLLO-LBPRGKRZSA-N 378.406 0.850 0 40 GCAB Cn1nnnc1-c1cccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 14515423 WYCBOVYQJTVHRI-UHFFFAOYSA-N 397.420 0.554 0 40 GCAB CN(Cc1cnn(C)c1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 24478966 ILDQEIKGTIRKGJ-UHFFFAOYSA-N 384.483 0.775 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 40039974 KDQIGCMFSIUNDJ-RYUDHWBXSA-N 377.488 0.502 0 40 GCAB CC(C)CN(C(=O)CN1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 58144035 BDNMWUSXCUTGHJ-INIZCTEOSA-N 395.529 0.270 0 40 GCAB NC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1 95410461 IOHMOKWCMPDAFU-NSHDSACASA-N 377.426 0.176 0 40 GCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC(CN3CCOCC3)CC2)C1 96005223 ZWANALULXWQWPK-UHFFFAOYSA-N 399.557 0.761 0 40 GCAB COCCN1C[C@@]23CN(C(=O)c4cccc(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146112 XSLFHXZAOVNUFM-RYRKJORJSA-N 396.465 0.339 0 40 GCAB CCn1ncc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 102016070 UMBQYGUNYYKHTO-FQUUOJAGSA-N 392.412 0.192 0 40 GCAB CCN1CCN(C(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)C(=O)C1=O 225711569 FCALJCCFFKWSCZ-IBGZPJMESA-N 375.425 0.619 0 40 GCAB CN1CCN(S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(Cl)c2)CC1 226685974 QIFHWEDTYVIKPC-UHFFFAOYSA-N 375.878 0.743 0 40 GCAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(CN3CCN(C)CC3)CC2)cn1 257220400 DKRCOEDOSQHXTH-FQEVSTJZSA-N 389.500 0.645 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@H]1C(=O)N(C)C 257274356 NKQXNVGACZAIEB-LBPRGKRZSA-N 389.378 0.358 0 40 GCAB COC1CCN(C2CN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C2)CC1 575610548 KLYJXKHRNNICFW-UHFFFAOYSA-N 381.454 0.615 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)N[C@H](CO)c2sccc2C)[C@H]1c1cnn(C)c1 613214233 BUTYVWYRCACEAH-BMFZPTHFSA-N 392.481 0.928 0 40 GCAB CC1(C)O[C@H]2O[C@@H]3[C@H](CN(CCO)CCO)O[C@H](c4ccccc4)O[C@@H]3[C@H]2O1 4777761 JPIUOZKQJVBYHJ-UDFCFZJOSA-N 395.452 0.632 0 40 GCAB CC[C@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 13512975 YZXWRUYSXCUVOK-CYBMUJFWSA-N 375.404 0.804 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O 14183699 DTXDCYWMPZCXIP-HNNXBMFYSA-N 397.229 0.931 0 40 GCAB COc1cccc(CNC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c1 14807592 MENUOHQDWIVWIT-UHFFFAOYSA-N 384.454 0.526 0 40 GCAB CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 19498785 KRVOOYDQMNMLMY-CYBMUJFWSA-N 383.474 0.008 0 40 GCAB COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 21897838 XRKHRBUTSZLFHQ-UHFFFAOYSA-N 397.453 0.200 0 40 GCAB O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NC(=O)NC1CCCC1 22801121 UBRDROXRPRCFFD-UHFFFAOYSA-N 393.532 0.775 0 40 GCAB O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCSCC1 36569506 BYSNVTXHSAUUJK-GFCCVEGCSA-N 377.422 0.801 0 40 GCAB NC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)nn1 96000451 IYMWNNHRTCYJOA-UHFFFAOYSA-N 391.331 0.521 0 40 GCAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(c2ccccn2)CC1 101408903 DUJMZZBMIIIFRB-UHFFFAOYSA-N 386.452 0.895 0 40 GCAB Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 144122907 YXQSQDQDYVOJLV-GZCUOZMLSA-N 395.363 0.065 0 40 GCAB C[C@@]1(O)CN(C(=O)CC2(CC(=O)O)CCCC2)CC[C@H]1n1ccc(O)nc1=O 257223361 DWZWXRNVBOJEAD-FZKQIMNGSA-N 393.440 0.899 0 40 GCAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CNS(=O)(=O)N(C)C)CC[C@H]21 257246002 ISALIIKAZRXACZ-BRWVUGGUSA-N 380.514 0.329 0 40 GCAB CNc1nc([C@H]2CCNC2)nc2c1CCN(S(=O)(=O)N1CCCCC1)C2 257260443 LCVQUHCMTJOKQY-ZDUSSCGKSA-N 380.518 0.684 0 40 GCAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ccc(CCN)cc3)[C@H]2O)CC1 257296158 RBMCMLFGKYFGMK-VAMGGRTRSA-N 388.512 0.364 0 40 GCAB Cc1c(C)[n+]([O-])c([C@@H](C(C)C)C2C(=O)NC(=O)NC2=O)n1CCCN(C)C 524732598 QZBQCEZCOGYRRL-ZDUSSCGKSA-N 379.461 0.412 0 40 GCAB Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(N(C)C)nn4)CC3)nn12 1775986194 YIBCJWCNXLFVSP-UHFFFAOYSA-N 381.444 0.641 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 2658939 XUHAJZYFEKXBBG-GFCCVEGCSA-N 378.447 0.140 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015670 UCTCRYPWOBBVSQ-UHFFFAOYSA-N 389.799 0.875 0 40 GCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 4885234 NLHNTDDEFQJNRN-UHFFFAOYSA-N 389.389 0.767 0 40 GCAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 5706978 FHIFMGIEEFWNFK-MLGOLLRUSA-N 379.413 0.645 0 40 GCAB COCCN(C(=O)CSc1nnc(C)n1C1CC1)[C@H]1CCS(=O)(=O)C1 7533721 NWQSOUAJSJBWFD-ZDUSSCGKSA-N 388.515 0.676 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 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O=S(=O)(c1cccnc1)N1CCN(C[C@H](O)c2ccc3c(c2)OCO3)CC1 48288964 ODMMWHDENJSRSD-INIZCTEOSA-N 391.449 0.850 0 40 GCAB COCCNC(=O)Cn1c(=O)n(-c2ccccc2OC)c(=O)c2sccc21 57490691 ZBICWNARCNXFSG-UHFFFAOYSA-N 389.433 0.985 0 40 GCAB O=C(CN1CCCC1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72380555 IMVJTFDCIPBFFQ-HNNXBMFYSA-N 375.473 0.684 0 40 GCAB Cn1nnnc1COc1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1 226747040 JPVHIUHDWMUILN-AWEZNQCLSA-N 384.440 0.920 0 40 GCAB O=C(c1cccc(Cn2ccnc2)c1)N1C[C@H](O)[C@@H](n2cc(F)c(O)nc2=O)C1 257253698 JZYDLEBCYVXTSO-HOTGVXAUSA-N 399.382 0.391 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C)CC1 408620868 KCAUMQPSZPWYSF-LLVKDONJSA-N 375.878 0.789 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 522042163 LAPJBQOZQKEKRR-MRXNPFEDSA-N 379.482 0.863 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3nc(O)n(C)c3c2)CCO1 653552981 SBRWPNABFFWIAF-CYBMUJFWSA-N 390.396 0.053 0 40 GCAB C[C@H]1Cc2cc(C(=O)N3CC[C@H](c4nn[nH]n4)C3)ccc2N1S(C)(=O)=O 1636502585 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CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C1=O 225380361 FDCIPLHJWBPYED-SJORKVTESA-N 375.444 0.984 0 40 GCAB biogenic,in-vitro Cc1ccc2nc(COCC(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)[nH]c2c1 257285207 PGCLPKZJIPWJAT-WRWLIDTKSA-N 388.468 0.728 0 40 GCAB CC(C)[C@H](C)NC(=O)c1cn2c(nc1=O)[C@@]1(CCN(S(C)(=O)=O)C1)CC2 306131864 KRMSHDYSHZAXOK-YVEFUNNKSA-N 382.486 0.324 0 40 GCAB CN(C)c1ccc(C(c2c(O)nc(=N)[nH]c2O)c2c(O)nc(=N)[nH]c2O)cc1 408922336 OKSUHAFZXBNGCV-UHFFFAOYSA-N 385.384 0.160 0 40 GCAB CCN(CC)[C@H]1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 641839864 LPBCYDKELYTYDU-OALUTQOASA-N 381.565 0.909 0 40 GCAB Cc1nnc(CN(C)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 661182292 SRQQLXAUJFXNCN-LLVKDONJSA-N 376.508 0.259 0 40 GCAB C[C@@H](CSC(F)(F)F)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1138143836 ZIBCLZRIRJANBQ-QMMMGPOBSA-N 387.409 0.527 0 40 GCAB Cc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)nc(N2CCOCC2)n1 1889175254 UNMLJELVCODUBF-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB 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MVZGWMTVDILFPY-UHFFFAOYSA-N 377.470 0.463 0 40 GCAB Cc1ccnn1CCNC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1 44918755 XCYOCGMOVUNKDE-UHFFFAOYSA-N 380.408 0.911 0 40 GCAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 48290736 BDGQPPSLVQXVPG-LLVKDONJSA-N 392.437 0.442 0 40 GCAB CCS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 72399135 VBORHAMPHWEBDL-LBPRGKRZSA-N 380.470 0.204 0 40 GCAB C[C@@]1(CO)O[C@@H](N2CCN(Cc3ccccc3)CC2)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O 78547103 XOSLXWLHQVUTQP-FDKIHUSFSA-N 394.512 0.165 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@@H](O)COCc3ccccc3Cl)C(=O)[C@H]2C1 79019796 TXVPNVAZBMKZAW-TZMCWYRMSA-N 396.831 0.245 0 40 GCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CCO2)cn1 97012725 RMJLISJKMMCRNL-OAHLLOKOSA-N 385.467 0.586 0 40 GCAB COc1ccc([C@@H](CC(=O)NCCSc2ncn[nH]2)NS(C)(=O)=O)cc1 225953278 QGEZEPKYQNXAQE-CYBMUJFWSA-N 399.498 0.702 0 40 GCAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)O)CC2)cc1 1532500366 HOFXGVVKKRTNNY-JOCQHMNTSA-N 384.454 0.981 0 40 GCAB COc1cc(C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)on1 1565555856 RAMNEBRDUMWPPY-QGZVFWFLSA-N 375.385 0.221 0 40 GCAB CCN1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C[C@]12CCOC2 1615593241 ZLVBYOAOCKPEEJ-INIZCTEOSA-N 387.889 0.924 0 40 GCAB Cc1nc2ncnn2c(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1C 1889175262 XZCXPGHVACLGMG-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(OC)cc1 4357217 NFEWDQCVQZRWLH-OAHLLOKOSA-N 399.469 0.075 0 40 GCAB COCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519195 MZYHDISVZDGZCS-HNNXBMFYSA-N 398.412 0.813 0 40 GCAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 7986680 YZBGOXXNIKNQTJ-KBPBESRZSA-N 394.449 0.194 0 40 GCAB COC(=O)c1cccnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 12983021 ZKDFJMGRVWDNIR-UHFFFAOYSA-N 380.426 0.984 0 40 GCAB C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 14095962 HQFNRXCTURFPIY-GXFFZTMASA-N 391.453 0.969 0 40 GCAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccc2c(c1)OCCO2 14124389 PRUPCCPCXHQJNY-LLVKDONJSA-N 388.424 0.141 0 40 GCAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 22933386 NXBMVOSXKKYLKT-HUUCEWRRSA-N 390.536 0.599 0 40 GCAB O=C(c1ccccc1N1CCCC1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24684371 OGIPCGFCOCRNNA-HNNXBMFYSA-N 391.493 0.758 0 40 GCAB COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)/C=C\C(=O)O 32665845 JTLJYGVZDYEMFO-RXNFCKPNSA-N 395.799 0.645 0 40 GCAB O=C(CN1CCN(c2ncccn2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 35278755 WIGCKAHWFPQNKY-UHFFFAOYSA-N 398.423 0.718 0 40 GCAB COc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1N1CCCCS1(=O)=O 40268324 HAOGWLCOHPKUAW-LLVKDONJSA-N 385.442 0.061 0 40 GCAB CCN1CCN(CC(=O)N[C@@H](CC(=O)OC)c2ccc(C)cc2)C(=O)C1=O 48735746 YQJHMQFWWQYTEI-HNNXBMFYSA-N 375.425 0.406 0 40 GCAB O=c1[nH]c2cc(S(=O)(=O)NCCn3cnc4ccsc4c3=O)ccc2o1 238826935 DZDHWRFUWHHVPK-UHFFFAOYSA-N 392.418 0.871 0 40 GCAB CNC(=O)CN1CCN(c2nccc(N[C@H]3CCCO[C@@H]3C(C)C)n2)CC1 509146006 GAGLWUHSKPPQMS-MAUKXSAKSA-N 376.505 0.960 0 40 GCAB O=C(O)CN1CCC(NS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC1 573854533 SVKLMMKJPWAZTN-UHFFFAOYSA-N 378.353 0.835 0 40 GCAB Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1C 575766027 KLPDHNKPFBUQJN-INIZCTEOSA-N 398.511 0.910 0 40 GCAB CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 585109883 FXTOFPOAORVOKG-ZDUSSCGKSA-N 387.419 0.463 0 40 GCAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1ccoc1)OC[C@H]2n1ccc(O)nc1=O 2037977732 ACNHZJUTJNGTTQ-RJZRQDKASA-N 391.380 0.432 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 2055830501 VDXNRHOMMWUFSE-AWEZNQCLSA-N 384.487 0.332 0 40 GCAB C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-n2ccnc2)cc1 7322705 OHJVAUHFBABSTM-GFCCVEGCSA-N 389.437 0.309 0 40 GCAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)c(C)c12 9134614 NQBXDVYBKVTZNE-OLZOCXBDSA-N 395.433 0.235 0 40 GCAB CCOCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371577 YSMRXYYEBQVBQN-GJZGRUSLSA-N 379.475 0.781 0 40 GCAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCN2CCOCC2)cc1 13633421 WXVGZJUOCKJTCY-UHFFFAOYSA-N 399.513 0.544 0 40 GCAB O=C(COC(=O)CCN1C(=O)CCC1=O)Nc1ccccc1C(=O)NC1CC1 18348569 ITYORWBMEUWUBI-UHFFFAOYSA-N 387.392 0.600 0 40 GCAB CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 19657172 AKWARCLYEIBACF-QGZVFWFLSA-N 388.468 0.696 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20566871 MTKXBMRFJIAMQO-GNEJLTCGSA-N 388.399 0.220 0 40 GCAB O=C(c1ccc(-n2cncn2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24002113 HXRKZBUFEFAUFC-MRXNPFEDSA-N 375.454 0.212 0 40 GCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1OC(F)F 28055195 LETQOSWTVOWPJE-VIFPVBQESA-N 389.380 0.725 0 40 GCAB CC(C)C(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2CCCN2S(N)(=O)=O)cc1 32936318 CJSYJTYWPFYYHW-AWEZNQCLSA-N 397.453 0.675 0 40 GCAB O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1O 35315274 HIZFNXQAVGLSCS-JKSUJKDBSA-N 375.402 0.940 0 40 GCAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(=O)c2ccccc2o1 70641004 QUDHATHSIBWXRB-UHFFFAOYSA-N 377.360 0.965 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 95462061 NRARHOCISHQVCY-UHFFFAOYSA-N 398.481 0.321 0 40 GCAB C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@@H](C)[C@@H]12 255975427 GXXLUDOKHXEFBQ-UUTMEEIUSA-N 383.495 0.660 0 40 GCAB O=C(N[C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O)c1cccnc1 257279988 OJASOFRYNWRGPY-IYWMVGAKSA-N 382.464 0.496 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 390827781 KDWKCCSZNHWRJK-CYBMUJFWSA-N 396.400 0.322 0 40 GCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 514288800 FBQFSHTXDPVFTN-RBUKOAKNSA-N 379.464 0.622 0 40 GCAB biogenic,in-vitro Cc1c(C)[n+]([O-])c([C@@H](C2C(=O)NC(=O)NC2=O)[C@@H]2CC=CCC2)n1CCO 524734544 PTQODJUXHYLWLY-CHWSQXEVSA-N 376.413 0.153 0 40 GCAB CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(C)=O 4899835 OYCLWYIGLJFSMM-HOTGVXAUSA-N 391.472 0.045 0 40 GCAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1-n1cnnn1 5000494 YJECRINUJGJUGE-YNHQPCIGSA-N 396.407 0.641 0 40 GCAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 8316263 ICWBVHYPKNURMU-SECBINFHSA-N 393.387 0.278 0 40 GCAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCOC)C1)C2=O 19699944 YNGDFSWNKNACHG-OAHLLOKOSA-N 380.489 0.810 0 40 GCAB CN(C)c1cc([C@@H]2CCCNC2)nc(CN(C)S(=O)(=O)N2CCOCC2)n1 19710019 UPCFIPVXCQVPDR-CQSZACIVSA-N 398.533 0.018 0 40 GCAB CCCNC(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 22754322 IQNGQHKIOZPVHJ-UHFFFAOYSA-N 379.505 0.588 0 40 GCAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 31772687 AZVVWGQFEIPNSM-CYBMUJFWSA-N 379.481 0.088 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 40081083 MTJSQPAGVMJCGZ-GASCZTMLSA-N 399.488 0.866 0 40 GCAB COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 72245340 HENWXJWQIKSJNL-WJRIWMAASA-N 392.408 0.434 0 40 GCAB O=C(Nc1nnc(C2CCC2)s1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 94993080 TVWPLKMGQQQDSO-SNVBAGLBSA-N 397.482 0.910 0 40 GCAB CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 100768679 YNTXOQBPAQGRPF-TXEJJXNPSA-N 381.454 0.473 0 40 GCAB O=C(CCCNc1ncccn1)N1CCC[C@](O)(CN2CCOCC2)CC1 257222793 DUSBAAYIZIUQGW-LJQANCHMSA-N 377.489 0.745 0 40 GCAB C[C@H](Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)N1CCOCC1 408613142 ZZAXGCDOIVPYEP-HNNXBMFYSA-N 397.497 0.249 0 40 GCAB COC(=O)c1cn([C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)cc2c(O)nnc1-2 524731999 SILGJRHTYIAZTP-BXUZGUMPSA-N 390.377 0.690 0 40 GCAB biogenic CN(CCn1cccn1)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 544923629 PJMJWLHHMMQQCK-ZDUSSCGKSA-N 392.437 0.641 0 40 GCAB CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C2(C(=O)O)CCC2)CC1 570741275 XVAQASRJERVRNC-UHFFFAOYSA-N 375.491 0.752 0 40 GCAB CN(C)CCN1C[C@H]2[C@H]3CN(C(=O)[C@H]4CC[C@H](C)CC4)C[C@@H](O3)[C@@H]2S1(=O)=O 2055738990 FZBBZKVRCVEHQV-SJUNHDGSSA-N 399.557 0.614 0 40 GCAB NC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 6579877 OUARHCDTQBPDIE-UHFFFAOYSA-N 395.268 0.495 0 40 GCAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCCN1C(=O)c2ccccc2C1=O 12634892 DZPNMEMSYIABDQ-HUUCEWRRSA-N 382.372 0.777 0 40 GCAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCOC3=O)c2)C[C@@H](C)O1 12811121 AJZNPYAUOHWYHG-JMSVASOKSA-N 383.422 0.957 0 40 GCAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(CC(=O)NC2CC2)CC1 22788695 WGQGYTZSSFZLMP-CQSZACIVSA-N 379.505 0.430 0 40 GCAB CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 32770983 RRQIGXVGZROHNP-CYBMUJFWSA-N 385.511 0.893 0 40 GCAB CC(=O)N1C[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)Oc2ccccc21 40062185 XHNRSLBERVXWLU-MRXNPFEDSA-N 381.454 0.341 0 40 GCAB CC(C)[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)N1CCSCC1 80338007 GLLOFPDJRGOPLJ-OAHLLOKOSA-N 392.529 0.908 0 40 GCAB CCCn1nnnc1CN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O 89960674 HFKXSSBVWPVWFW-CYBMUJFWSA-N 382.380 0.397 0 40 GCAB CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944806 NKHBQXKXXZEDKI-UHFFFAOYSA-N 385.467 0.932 0 40 GCAB Cc1ccccc1N(CC(=O)NC1(CC(=O)O)CCOCC1)S(C)(=O)=O 95970223 JMWJVYJULOWAAT-UHFFFAOYSA-N 384.454 0.901 0 40 GCAB CCn1ncc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 102016075 UMBQYGUNYYKHTO-XUXIUFHCSA-N 392.412 0.192 0 40 GCAB COc1ccc(C(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 223123748 VHQPSHSBEWEHSK-UHFFFAOYSA-N 375.469 0.996 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1ccccc1 225386189 BQXWPZMSPZBPTK-MSOLQXFVSA-N 381.432 0.838 0 40 GCAB biogenic,in-vitro COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1 225388717 HPQILTZJCIEDNR-ZFWWWQNUSA-N 390.440 0.492 0 40 GCAB COc1cc(N2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)ncn1 306125311 CMGNATMEVUKSGC-CYBMUJFWSA-N 378.458 0.715 0 40 GCAB CC(C)c1nc(S(=O)(=O)NCCn2c(O)nc3ncccc3c2=O)cn1C 390826674 OLMNSMAVRJHLGL-UHFFFAOYSA-N 392.441 0.333 0 40 GCAB O=C(COc1ccccc1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N[C@@H]2C1 514289038 FKEMKTPQLBWRPS-KGLIPLIRSA-N 375.406 0.411 0 40 GCAB biogenic,in-vitro O=C(NCC1(OCCO)CCSCC1)C(=O)Nc1ccc2c(c1)OCO2 828765305 CQZNQHPOEOUFNT-UHFFFAOYSA-N 382.438 0.745 0 40 GCAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2159276 STPHZLVZJPSQCI-SFHVURJKSA-N 390.392 0.822 0 40 GCAB biogenic COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(=O)[nH]c1 6650310 YDYOKRWMEFEZKQ-UHFFFAOYSA-N 393.421 0.657 0 40 GCAB Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)N3CCOCC3)CC1)O2 12085704 YOLIISGUORGFGP-HXUWFJFHSA-N 387.436 0.685 0 40 GCAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccncc1 12824150 BAYSDXHUTPAVRB-ZDUSSCGKSA-N 388.449 0.693 0 40 GCAB CN1C[C@@H](C(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)CC1=O 19587161 BMDPCVOESVTBFU-AWEZNQCLSA-N 384.436 0.228 0 40 GCAB CN1CCC2(CC1)CN(CC(=O)N1CCC(O)CC1)C(=O)c1ccccc1O2 19588370 XSPYEUWGSPKKNM-UHFFFAOYSA-N 387.480 0.969 0 40 GCAB CC(C)[C@@H]1N(C(=O)CN2CCOCC2)CCN1S(=O)(=O)c1ccccc1 19943435 AFRRFKICJZWXEY-GOSISDBHSA-N 381.498 0.834 0 40 GCAB NC(=O)Cn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1=O 23021951 PUNGOIZJUJLACT-UHFFFAOYSA-N 389.477 0.977 0 40 GCAB CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 24696608 VWSQZSLFEVAVBP-GOSISDBHSA-N 394.541 0.817 0 40 GCAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC(C(N)=O)CC1 61721349 UKQVUMXDGUPAIW-HNNXBMFYSA-N 387.484 0.631 0 40 GCAB CCS(=O)(=O)CC(=O)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95998399 XQABXAIPIVDYOH-QGZVFWFLSA-N 393.509 0.761 0 40 GCAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 223278642 VVIORFHAMLZLFZ-UHFFFAOYSA-N 399.450 0.260 0 40 GCAB Cc1nc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)sc1C(=O)N(C)C 223301177 GKNBQJDQRNDYFH-UHFFFAOYSA-N 398.466 0.818 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)cc1 225785277 DYPXIJPAANGAKV-CYBMUJFWSA-N 376.438 0.308 0 40 GCAB C[C@H](C(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2)N1CCCC1=O 253372355 FAQZSWPFSDQQNQ-KEYYUXOJSA-N 385.468 0.912 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OCC 408701325 WGRWWRFPGHHEEM-UHFFFAOYSA-N 385.486 0.446 0 40 GCAB O=S1(=O)N[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2Oc2ncccc21 514289423 KMZXFYZCTOGIAZ-OLZOCXBDSA-N 381.435 0.194 0 40 GCAB biogenic,in-vitro O=C(Cn1c(O)nc2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524730252 BIRMZLICJHKFEL-JKIFEVAISA-N 396.447 0.962 0 40 GCAB biogenic O=C(Cn1cc(C[C@H]2NC(=O)NC2=O)nn1)N[C@H](c1ccccc1)C1CCC1 583615125 FLFOQYLIKJAPOM-NVXWUHKLSA-N 382.424 0.686 0 40 GCAB O=C(CC1(n2cnnn2)CCOCC1)N1CCN(CCc2ccccc2)CC1 665775186 GVQWNKWLYFMKEL-UHFFFAOYSA-N 384.484 0.956 0 40 GCAB Cn1cc(C[C@@H](CO)NS(=O)(=O)c2cccnc2OCC(F)F)cn1 1669849980 NOKMRYFVHIXKTF-NSHDSACASA-N 376.385 0.341 0 40 GCAB CS(=O)(=O)CC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055738893 YJNLZLPUDOIBGZ-UHFFFAOYSA-N 397.472 0.922 0 40 GCAB Cc1ccc(Cn2c(SC[C@H](O)CO)nc3c2c(=O)[nH]c(=O)n3C)cc1 850090 PSHDRRNFRPMGHA-GFCCVEGCSA-N 376.438 0.225 0 40 GCAB OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@H](O)[C@H]1O 2539726 NLRXQZJJCPRATR-AALSBFMBSA-N 385.210 0.781 0 40 GCAB in-vitro CCc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4303953 UETVFQGZMSPREC-UHFFFAOYSA-N 394.435 0.803 0 40 GCAB CCOc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1S(=O)(=O)N(C)C 8348501 ZTQUBZXWYDVOIZ-AWEZNQCLSA-N 386.474 0.967 0 40 GCAB CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1 9218118 BYFAPDYFVQKVSZ-UHFFFAOYSA-N 391.449 0.779 0 40 GCAB COc1c(C[C@H]2CC(C(=O)N3CCOCC3)=NO2)cc2c(c1OC)OCO2 12418017 ZAHHDLHIJSIGHC-LBPRGKRZSA-N 378.381 0.979 0 40 GCAB Cc1c(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc(O)ccc12 13624648 GXIXUONVCDBJJS-ZIAGYGMSSA-N 381.406 0.014 0 40 GCAB O=c1n(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc2ccccn12 22912322 UXKFSYHUQUPSQW-UHFFFAOYSA-N 397.464 0.341 0 40 GCAB NC(=O)C1CCN(C(=O)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)CC1 24928176 YVKACLXWOVVNCC-UHFFFAOYSA-N 386.452 0.362 0 40 GCAB Cc1nnc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)n(Cc2ccccc2)c1=O 32611935 OCZSXCBKXGTTKS-UHFFFAOYSA-N 399.432 0.895 0 40 GCAB CCCCNC(=O)NC(=O)CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 40105830 FHZOILMIADMMNI-HUUCEWRRSA-N 382.505 0.960 0 40 GCAB O=c1n(Cc2ccc(F)cc2)nc2ccc(S(=O)(=O)N3CCOCC3)cn12 49408104 IYKRDSUWUGZGKP-UHFFFAOYSA-N 392.412 0.704 0 40 GCAB COc1ccc(-c2cc3nn(CC(=O)N4CCOCC4)c(=O)n3c(C)n2)cc1 65196694 ROKGHLLCNCIYCP-UHFFFAOYSA-N 383.408 0.734 0 40 GCAB CCOC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1oc(CO)cc(=O)c1O 71282121 LTBOCBRXGIOGEY-AWEZNQCLSA-N 391.376 0.787 0 40 GCAB C[C@@H](C(=O)N1CCNC(=O)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327647 SDWQXDXLYUVAHD-QKKBWIMNSA-N 399.447 0.750 0 40 GCAB COc1ccccc1CCn1c2c(c(=O)[nH]c1=O)[C@@](O)(C(F)(F)F)C(=O)N2 101330307 NEMOFSXTUVNCIA-HNNXBMFYSA-N 385.298 0.490 0 40 GCAB NC(=O)c1cccnc1N1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 102343346 HXEFVHMZGFZREZ-UHFFFAOYSA-N 395.398 0.863 0 40 GCAB CC(C)CN1CC2(C1)C(=O)N(Cc1ccccc1F)C(=O)[C@@H]1C[C@@H](O)CN12 225390556 DGIFSZWJLULCEP-WBVHZDCISA-N 375.444 0.840 0 40 GCAB biogenic,in-vitro CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NC(=O)C3CCCC3)[C@H](O)[C@@H]2O)cc1 225506569 XMHJDLKYUUSYMF-PILAGYSTSA-N 397.493 0.886 0 40 GCAB biogenic,in-vitro Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)CCO 257229284 FXMLTSRFJOQMME-ZRNYENFQSA-N 385.464 0.993 0 40 GCAB COc1cc2ncnc(N3CCO[C@H](C(=O)N4CCOCC4)C3)c2cc1OC 1889151962 CDZSOVHNCLBTIU-KRWDZBQOSA-N 388.424 0.711 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1889211584 MFAJRYOJLQDTMS-UHFFFAOYSA-N 381.444 0.615 0 40 GCAB O=C(NC[C@H]1CCCO1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007698 CNLOXGYFQSUXDX-OAHLLOKOSA-N 399.447 0.978 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCCc2ccc(F)cc2)n(C)c1=O 6636918 KSMDVQNRRCPPCD-UHFFFAOYSA-N 393.806 0.585 0 40 GCAB C[C@@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nnc2ccccc21 19080212 WAOYPCYJORSRJH-NSHDSACASA-N 384.425 0.613 0 40 GCAB COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1cccc(F)c1 20465279 SZEXWBRCHLQTNA-DFBDCSAJSA-N 382.432 0.156 0 40 GCAB biogenic,in-vitro CCN(CC)S(=O)(=O)N1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 22275971 PTJXGHUPAKENJN-UHFFFAOYSA-N 393.513 0.707 0 40 GCAB O=C(Nc1ccc2c(c1)CCO2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23102344 XRSYBMGDMYKLFN-CYBMUJFWSA-N 377.422 0.726 0 40 GCAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCN1C(=O)CCC1=O 25188627 MBQFMTIBSROVAW-UHFFFAOYSA-N 389.408 0.787 0 40 GCAB CCCCOC(=O)COC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC 25391850 XTAFNNNVICBIEF-UHFFFAOYSA-N 383.397 0.986 0 40 GCAB COc1ccccc1-c1ccc(=O)n(CC(=O)N[C@H]2CCS(=O)(=O)C2)n1 40286616 SXWYVOORBPJYBS-LBPRGKRZSA-N 377.422 0.222 0 40 GCAB Cc1ccc(NC(=O)CSCC(=O)NC[C@H](O)CN2CCOCC2)cc1 84155082 CASCFMJBRNZLQK-INIZCTEOSA-N 381.498 0.476 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)CC1 95477727 RSLAZVMZRUPBBO-LBPRGKRZSA-N 391.453 0.020 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 96005082 NMAUCGBCHWNDCM-UHFFFAOYSA-N 376.504 0.272 0 40 GCAB O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)Cc1cc(F)ccc1F 96103366 NTMJIRZIXXCGKJ-UHFFFAOYSA-N 396.379 0.222 0 40 GCAB O=S(=O)(N1CCOCC1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257240550 HUBBLNJFNKWZAM-KRWDZBQOSA-N 391.453 0.489 0 40 GCAB O=C(O)COc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)cc1 257301776 RZWRIVODWKQTJI-WMLDXEAASA-N 396.403 0.868 0 40 GCAB CC(C)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C[C@@H]1C(N)=O 257302333 SCNAPBBCFWCZNC-MRXNPFEDSA-N 381.498 0.647 0 40 GCAB Cc1snnc1C(=O)N1Cc2nnn(C)c2[C@H](COCCN2CCCC2)C1 585110917 ZCBZKFPDNFAQJD-ZDUSSCGKSA-N 391.501 0.827 0 40 GCAB NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)C1 621034681 NTHPYSJKZFTRFC-CABCVRRESA-N 382.486 0.317 0 40 GCAB O=C(O)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1Br 659190115 MYIKUFYLNJZHTP-ZJUUUORDSA-N 377.216 0.383 0 40 GCAB CO[C@@](C)(C(=O)O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 663073253 PLXCVKSESZQQDQ-AUUYWEPGSA-N 378.425 0.923 0 40 GCAB O=C(NCCCn1ccnc1)[C@@H]1C[C@]2(CO1)CN(Cc1nccs1)CCO2 1565541992 TZGSKARRIYOMRX-MAUKXSAKSA-N 391.497 0.906 0 40 GCAB O=C(O)CN1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1=O 1595087850 ZNZMHCSMGHWEPP-CYBMUJFWSA-N 380.832 0.707 0 40 GCAB Cn1cnc2c(N3CCN([C@@H]4CCN(CC(F)(F)F)C4=O)CC3)ncnc21 1888859352 RDAFCPUVXNLRBH-LLVKDONJSA-N 383.378 0.649 0 40 GCAB Cc1ncnc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1F 1888860354 IIHAVTUHKRTGPO-UHFFFAOYSA-N 379.417 0.534 0 40 GCAB COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 3478744 USQQPXFBSKHGOI-UHFFFAOYSA-N 382.438 0.915 0 40 GCAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 5251908 DLXUTYLJBVLWRM-CYBMUJFWSA-N 397.435 0.680 0 40 GCAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCC3(CC2)OCCO3)c1 5272956 HYOVVXUECVLSPE-UHFFFAOYSA-N 384.454 0.594 0 40 GCAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@@H]1CCS(=O)(=O)C1 6078931 AMNSWDCCMULHOR-GFCCVEGCSA-N 380.447 0.652 0 40 GCAB COc1ccccc1CN(C)C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 7217780 ZMSRYWVIIPYKGD-UHFFFAOYSA-N 393.465 0.766 0 40 GCAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029287 NRULJKMMZGRVGW-ZFWWWQNUSA-N 387.479 0.556 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1C(N)=O 12793048 SBHPQVWKPVZBEK-UHFFFAOYSA-N 390.465 0.200 0 40 GCAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 12930616 JYRHLDRIHGFYAT-MRXNPFEDSA-N 382.388 0.026 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)cc(=O)oc1C)[C@@H]1CCS(=O)(=O)C1 12936384 ZFZSJKDIJBZYTH-CHWSQXEVSA-N 385.438 0.838 0 40 GCAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(C(=O)N2CCOCC2)CC1 12941077 XFQGCZZHRIZMIC-UHFFFAOYSA-N 399.447 0.770 0 40 GCAB CN(C)c1cc(CN(C)S(=O)(=O)N2CCOCC2)nc([C@@H]2CCCNC2)n1 19709717 WTTRGACLQCJSRH-CQSZACIVSA-N 398.533 0.018 0 40 GCAB Cc1nnc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)s1 23477859 YFYRFOONWMRMRS-UHFFFAOYSA-N 381.487 0.856 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nnc(-c2ccccc2)o1 23992250 ZRRYGLDUWQBJBA-CQSZACIVSA-N 378.454 0.862 0 40 GCAB O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(Cc1cccnc1)C1CC1 32826873 FVQBOLOAHXFRKQ-ZBFHGGJFSA-N 377.466 0.608 0 40 GCAB Cn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2c1CCS(=O)(=O)C2 41070442 WCZMREAMLATGJJ-UHFFFAOYSA-N 375.454 0.248 0 40 GCAB NC(=O)c1nsc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc12 49409375 FOLRLXBOTUNQQM-UHFFFAOYSA-N 377.813 0.922 0 40 GCAB COc1cc(CCC(=O)NC(C(N)=O)C(N)=O)ccc1OCC(F)(F)F 58209113 IZNBUKZFKROING-UHFFFAOYSA-N 377.319 0.024 0 40 GCAB Cc1[nH]c2ncnn2c(=O)c1CCOC(=O)CCn1nnc2ccccc2c1=O 96013330 UVHDLBKCZRWFPQ-UHFFFAOYSA-N 395.379 0.007 0 40 GCAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(C(=O)OC)=NN3CCC(C)=O)cc1 100939250 JMFXDEJXYIDWBH-HOCLYGCPSA-N 387.392 0.767 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)CC1 267527478 XYVPTRAJDYOEDZ-UHFFFAOYSA-N 383.470 0.104 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cc[nH]n2)C3)n1 306137986 RLTGFOXFNXGAHX-LBPRGKRZSA-N 377.426 0.216 0 40 GCAB COC(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 390830914 OGZNLOVWUMJWKX-MRXNPFEDSA-N 380.466 0.855 0 40 GCAB CN(C)c1nc(CNC(=O)Cn2cnc(C3CC3)cc2=O)nc(N2CCCC2)n1 575607930 QYSDCYDVIRAQIX-UHFFFAOYSA-N 398.471 0.288 0 40 GCAB COc1cc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)ccn1 585138562 BRGYCAYSLKZKSM-UHFFFAOYSA-N 391.475 0.212 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 585322741 CBCVNSYYHPVDOA-UHFFFAOYSA-N 385.449 0.963 0 40 GCAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H](C)NC1=O 643559895 PSTRQSCEEWVZDO-FFSVYQOJSA-N 391.424 0.298 0 40 GCAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1669288262 VSKMEPSKKQCMCS-QWHCGFSZSA-N 381.520 0.067 0 40 GCAB Cc1nnc2ccc(N3CCN(c4ccnc(N5CCOCC5)n4)CC3)nn12 1889152069 RDAXDZDDHINGQJ-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB COC1(CNC(=O)NCCOc2ccccc2)CCN(S(C)(=O)=O)CC1 1889221308 LMVYIOPMACQDIE-UHFFFAOYSA-N 385.486 0.805 0 40 GCAB COCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12C(=O)Nc1ccccc12 2056707 VRJRKTVNSJMXRC-LJQANCHMSA-N 388.376 0.714 0 40 GCAB biogenic CCOC(=O)CNC(=O)CNC(=O)CCCCSc1ncnc2nc[nH]c12 5349682 DSRLCTKSLAKKSX-UHFFFAOYSA-N 394.457 0.411 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)NCCCSc2ccccc2)n(C)c1=O 9155264 MNBDYAGLJRFTRY-UHFFFAOYSA-N 387.465 0.732 0 40 GCAB CNC(=S)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 9489206 WHAXDNICLIVDQN-HNNXBMFYSA-N 375.498 0.030 0 40 GCAB CCOc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 10977749 KVIQWGNDLBRCJU-GFCCVEGCSA-N 385.424 0.710 0 40 GCAB O=C(c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F)N1CCOCC1 12030952 ZYAUQYVTNGIAKV-GFCCVEGCSA-N 391.442 0.259 0 40 GCAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 16839390 MBJHNCWOTFZWHQ-SNVBAGLBSA-N 393.831 0.569 0 40 GCAB COc1ccc(OCCN2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 22357562 FGDXOPNEMLQPSJ-UHFFFAOYSA-N 388.468 0.289 0 40 GCAB CC(C)[C@H](CNC(=O)CCc1ccc(S(N)(=O)=O)cc1)N1CCOCC1 23195771 SFNDZRRWIDZBHP-KRWDZBQOSA-N 383.514 0.740 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N1CCNC1=O 31084278 KJHWYMNLRPYAFG-UHFFFAOYSA-N 380.470 0.631 0 40 GCAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](Cn1cncn1)c1ccccc1 58412508 QHVGNVJAIXHOPM-JKSUJKDBSA-N 393.469 0.881 0 40 GCAB CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(CCN)[C@@H]2CO)cc1 72321391 PROVWYUYAPCRJI-NVXWUHKLSA-N 385.486 0.304 0 40 GCAB biogenic,in-vitro CC(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n(C)n1 95998992 XXQGSBBNWSSLJP-AWEZNQCLSA-N 384.502 0.810 0 40 GCAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC(=O)c1ccccc1 96010103 HMLATXSFKPWECS-GJZGRUSLSA-N 384.388 0.828 0 40 GCAB C[C@@H]1CN(C[C@H]2CCCN2C(=O)CNC(=O)c2ncccc2O)C[C@@H](C)O1 1625754824 BMSRGKFGGLPSBN-RBSFLKMASA-N 376.457 0.617 0 40 GCAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 6553456 VYOXQAYSIGXCSC-FQEVSTJZSA-N 394.435 0.592 0 40 GCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-n2ccnc2)cc1 7322703 OHJVAUHFBABSTM-LBPRGKRZSA-N 389.437 0.309 0 40 GCAB O=C(NCc1cccnc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030254 ULIUSIHNCAVGGQ-INIZCTEOSA-N 394.474 0.972 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CO)C(=O)O 12889572 CBAMZYHLLIRXIF-GMXABZIVSA-N 392.412 0.131 0 40 GCAB biogenic COCCn1c(N)c(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c(=O)[nH]c1=O 12973721 UXHWERFTQGAUJU-SECBINFHSA-N 378.351 0.222 0 40 GCAB CCn1nnc2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncnc21 13534639 NYYXHZRNRYIBPG-UHFFFAOYSA-N 387.469 0.893 0 40 GCAB O=C(c1ccc2[nH]nnc2c1)N1CCN(c2nnnn2-c2ccccc2)CC1 24777573 ZKXJVXTZSDUSIX-UHFFFAOYSA-N 375.396 0.896 0 40 GCAB COC(=O)C(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 30578782 JUBBTSITUZCSLM-UHFFFAOYSA-N 388.417 0.528 0 40 GCAB COCCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 40268266 PGKJNWVXVKHHEL-UHFFFAOYSA-N 385.442 0.326 0 40 GCAB COC(CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)OC 72326460 YYUBYKTXHPOZEG-LJQANCHMSA-N 390.440 0.286 0 40 GCAB Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)CN(CC(=O)O)C(=O)O2 82114788 XZPQIEQBIXQQIY-UHFFFAOYSA-N 377.397 0.445 0 40 GCAB NC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1 95410462 IOHMOKWCMPDAFU-LLVKDONJSA-N 377.426 0.176 0 40 GCAB CCN1CCN(C(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)C(=O)C1=O 225711598 FCALJCCFFKWSCZ-LJQANCHMSA-N 375.425 0.619 0 40 GCAB Cc1nnc2c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nccn12 225799178 RWOJIYWLOMSHKT-INIZCTEOSA-N 380.408 0.921 0 40 GCAB CN(CCO)[C@H]1[C@H](NC(=O)c2ccnn2C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257235402 GXROPRFSIYVCRB-BGTYHANMSA-N 392.431 0.163 0 40 GCAB Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 257275644 NQFNPXDMSJXSDU-YSHGAJCASA-N 385.468 0.980 0 40 GCAB CCOC(=O)[C@]12CCCN(C(=O)c3ncn(C)n3)C[C@H]1CN(CCN(C)C)C2 585108096 XGTYWDRSMNTTKM-BEFAXECRSA-N 392.504 0.094 0 40 GCAB O=C(O)[C@H](c1ccccc1F)N1CCN(S(=O)(=O)N2CCOCC2)CC1 652393467 FSCIHKNHLRCHRH-HNNXBMFYSA-N 387.433 0.146 0 40 GCAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)NC[C@H]1CCCO1)c(=O)n2C 9571656 HEWBYPQLBLHFMW-GFCCVEGCSA-N 376.413 0.098 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021899 UFCUFNYWCRERRM-UBXMYJPPSA-N 388.399 0.220 0 40 GCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1nnnn1-c1ccccc1 17652738 VXUFXENZJQMKLX-UHFFFAOYSA-N 381.348 0.864 0 40 GCAB Cn1nc2c(c1C(=O)N1CCO[C@](C)(C(=O)N3CCOCC3)C1)CCCC2 19746943 FWLXNOQRMZEKOR-IBGZPJMESA-N 376.457 0.389 0 40 GCAB CN1CCN(c2ccc(CNC(=O)Cc3n[nH]c(=O)c4ccccc34)cn2)CC1 23317984 HMPWFKZUAIDQRX-UHFFFAOYSA-N 392.463 0.929 0 40 GCAB CC(C)Cc1ccc([C@@H](C)C(=O)O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 44021001 ABOLXXZAJIAUGR-GFBDRUPISA-N 382.409 0.424 0 40 GCAB in-vitro O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(F)cc1 49409359 ZWIUUHWMIBDZAL-UHFFFAOYSA-N 395.412 0.647 0 40 GCAB Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)c1C 58224442 OPEDBFITNKZLMR-CQSZACIVSA-N 397.501 0.457 0 40 GCAB O=C(NCc1cccc(=O)[nH]1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 95458600 FJWYTOCAFQNXLP-CABCVRRESA-N 375.425 0.973 0 40 GCAB CC(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2sc(=O)[nH]c2C)cc1 95981283 ZORMIPRVIXGEPY-UHFFFAOYSA-N 383.451 0.656 0 40 GCAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1Cl 226686353 DOJSYHLIJPOVLW-UHFFFAOYSA-N 390.845 0.745 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NCc2cncc(N3CCCC3=O)c2)C1=O 575620978 XDAHJORSZLRJKX-UHFFFAOYSA-N 381.414 0.115 0 40 GCAB CC(C)n1c(O)nc2ccc(C(=O)N3CCC(NS(N)(=O)=O)CC3)cc21 629188876 CDVDXPHUDLYMDZ-UHFFFAOYSA-N 381.458 0.721 0 40 GCAB CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 3017356 YDWVKHFFQMFYMM-AWEZNQCLSA-N 383.470 0.211 0 40 GCAB CCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C 4102825 KQZOTUCOFDMGIB-UHFFFAOYSA-N 393.494 0.924 0 40 GCAB CC(C)[C@@H](OC(=O)CNC(=O)c1ccccc1OC(F)F)C(=O)NC(N)=O 5678533 NROUGTUQUNQCJP-GFCCVEGCSA-N 387.339 0.781 0 40 GCAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CCc1ccccc1 6049603 HJGIHUSHNWWRDR-MRXNPFEDSA-N 391.468 0.556 0 40 GCAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 7296629 GGEMJCHCWFWMCO-SFHVURJKSA-N 375.381 0.897 0 40 GCAB CN(CC(=O)N1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(F)cc1 8112533 MRAOPLCJXOUVFL-UHFFFAOYSA-N 393.444 0.585 0 40 GCAB COc1ccc(C(=O)NCCCN2CCCC2=O)cc1S(=O)(=O)NC1CC1 9515435 NMHKAKLSIDAOLG-UHFFFAOYSA-N 395.481 0.878 0 40 GCAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNCc1ccc(F)cc1 20465918 YCJAUJWMANRGLC-IVAOSVALSA-N 389.471 0.974 0 40 GCAB biogenic,in-vitro CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32736750 JYUCMPYHOPHVCL-QWHCGFSZSA-N 375.425 0.842 0 40 GCAB O=S(=O)(NCc1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1)C1CC1 72313964 HDLSUOCRWFYABA-UHFFFAOYSA-N 399.538 0.883 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCc1cnc(C2CC2)nc1 89532549 JVEQLZOBPNBJHT-NSHDSACASA-N 393.469 0.985 0 40 GCAB Cn1c(=O)c2c(nc(S)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O 100492567 OKCCYQBYSQUXNL-SNVBAGLBSA-N 396.856 0.816 0 40 GCAB COc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2cccnc12 223312742 GNZZJLKWLQZDDP-UHFFFAOYSA-N 376.394 0.442 0 40 GCAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O 225796023 BOSXZSJQZFIAAK-NSHDSACASA-N 398.375 0.397 0 40 GCAB CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2COCCN2CC2CCC2)CC1 585083091 GYOCWXBQBYELEK-QGZVFWFLSA-N 387.546 0.665 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCN([C@H]3CCSC3)CC2)cc1C(N)=O 1565523095 YKXGQYQWXUYSEY-ZDUSSCGKSA-N 399.538 0.996 0 40 GCAB CC(=O)NCCN(c1ncnc2c1ncn2C[C@@]1(O)CCO[C@H]1C)C(C)C 1614994994 RPVKEAPCKBQSPI-UGSOOPFHSA-N 376.461 0.717 0 40 GCAB COCCn1nccc1C(=O)N1CC[C@H]2C[C@@H](CN3CCCOCC3)O[C@H]2C1 2056225299 JONGUIFMEYSPSQ-LNLFQRSKSA-N 392.500 0.871 0 40 GCAB O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 5496574 XFJOBTJBGUCADD-GAXRWOANSA-N 391.468 0.483 0 40 GCAB CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 5913733 CNXDOWPHIVZBCX-UHFFFAOYSA-N 385.442 0.766 0 40 GCAB Cc1nn(CC(=O)NCc2ccco2)c(C)c1S(=O)(=O)N1CCOCC1 6654364 QMHJXRTUVJLXTN-UHFFFAOYSA-N 382.442 0.430 0 40 GCAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCC(=O)NC(C)C 7183398 SUKGBGIZQDMELF-UHFFFAOYSA-N 378.458 0.712 0 40 GCAB C[C@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9576887 VBTSXYZABBTYPG-QWRGUYRKSA-N 384.483 0.589 0 40 GCAB C[C@H](NC(=O)c1cnn(C)c1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366303 BFOJPNZQQRHTGA-YOEHRIQHSA-N 385.468 0.890 0 40 GCAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)NC(=O)NC1CC1 12477905 OGVJYGSRHSTZAC-VIFPVBQESA-N 387.389 0.024 0 40 GCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1ccc(F)c(Cl)c1 20464808 KIZYMZFGBMSTAW-FXUDXRNXSA-N 388.823 0.030 0 40 GCAB biogenic,in-vitro C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 30857006 XZFKAHCDASHHLZ-IXDOHACOSA-N 388.578 0.989 0 40 GCAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCN(CCO)CC1 54360912 AEULXUYZZVFMCJ-RAXLEYEMSA-N 381.479 0.921 0 40 GCAB COc1cccc(NS(=O)(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 58171176 MCDNMMYUECMIPV-UHFFFAOYSA-N 376.394 0.442 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N(C)C)CN(C(C)=O)C[C@@H]21 96143812 QRWGNSTUYRCJLH-MAUKXSAKSA-N 385.530 0.765 0 40 GCAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1cnc2ccccc2c1=O 96344999 VPERGJOPALPSNR-UHFFFAOYSA-N 379.420 0.648 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCC[C@@H]1CN(C)C 103976441 HZJDISPGCXRPOG-MRXNPFEDSA-N 391.516 0.790 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@](C)(O)C[C@@]12NNC(=S)N2 248010930 JAOODCGAHPLYJW-CAAARAIESA-N 393.465 0.182 0 40 GCAB CS(=O)(=O)N1CC[C@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@@H]2C1 306130935 JSVJBRRUNYZQTG-IAGOWNOFSA-N 378.498 0.798 0 40 GCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)NCc1ccccn1 1547201156 MQRKUOBWVTYXJT-UHFFFAOYSA-N 382.355 0.884 0 40 GCAB Cn1cnc2c(N3CCN([C@H]4CCN(CC(F)(F)F)C4=O)CC3)ncnc21 1888859353 RDAFCPUVXNLRBH-NSHDSACASA-N 383.378 0.649 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NC(C)C)cc1 3294438 ZRHURLOBGZUJBM-UHFFFAOYSA-N 385.442 0.393 0 40 GCAB NC(=O)COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 3421519 DULIKVVQYXZREK-AWEZNQCLSA-N 380.397 0.744 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc1 3453289 NVGPMFVJTITNLI-CQSZACIVSA-N 385.442 0.378 0 40 GCAB CC1(C)S[C@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 3871879 FPPNZSSZRUTDAP-BIAAXOCRSA-N 378.406 0.487 0 40 GCAB in-vitro COCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6620203 WDSNZEQHHPQGFA-UHFFFAOYSA-N 390.845 0.363 0 40 GCAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@@H]1CCS(=O)(=O)C1 6758969 PBXKBYOWXBXAEC-LLVKDONJSA-N 377.418 0.964 0 40 GCAB CCOC(=O)C1=C(CN2C[C@H](C(=O)OC)Oc3ccccc32)NC(=O)NC1 8390776 OVCMEGCSLNQNBB-OAHLLOKOSA-N 375.381 0.557 0 40 GCAB CCC1(CC)NC(=O)N(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)C1=O 8982787 BSPWHZFJEIDNPP-UHFFFAOYSA-N 385.424 0.992 0 40 GCAB COc1nc(C)c(CC(=O)N(CCN(C)C)C2CCN(C)CC2)c(OC)n1 12238262 JISRTGGOIJBTKO-UHFFFAOYSA-N 379.505 0.829 0 40 GCAB COc1ccc(CC(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 12931121 BBFDXECQYARAJS-GXTWGEPZSA-N 399.465 0.824 0 40 GCAB CC[C@@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 13512972 YZXWRUYSXCUVOK-ZDUSSCGKSA-N 375.404 0.804 0 40 GCAB CCCN(C(=O)C1=COCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14580054 NDXVZUZKEXWOIA-UHFFFAOYSA-N 386.408 0.798 0 40 GCAB CC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 18233001 IQVSYQVCLQUJCD-UHFFFAOYSA-N 398.466 0.957 0 40 GCAB COCCNC(=O)CN1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 19017387 CPODYOPYSNSVCA-QGZVFWFLSA-N 375.473 0.671 0 40 GCAB CC[C@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229489 SRUMOXJXJZONNM-ZDUSSCGKSA-N 383.470 0.238 0 40 GCAB CN1C[C@]2(CO)C(O)[C@](CO)(C1)[C@@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 31795621 QTBLVKOQTUDXKG-OWBSXZKWSA-N 384.480 0.468 0 40 GCAB O=C(CCNC(=O)c1cnn(Cc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 43058684 SRSVCXOMBCUWHL-MRXNPFEDSA-N 390.465 0.355 0 40 GCAB O[C@H](COC[C@@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1 58158713 QZXAQHCFYSXRBS-ROUUACIJSA-N 393.532 0.679 0 40 GCAB CS(=O)(=O)c1ccc(OC[C@]2(CNC(=O)C3CC3)C[C@H](O)[C@H](O)C2)cc1 107430432 RRRDBVHZFZMPQL-VQFNDLOPSA-N 383.466 0.497 0 40 GCAB biogenic,in-vitro Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H]1O 257296398 RCPULPCYHRYNSB-VDERGJSUSA-N 398.423 0.760 0 40 GCAB NC(=O)C1CCN(c2cccc(NC(=O)CCNC(=O)[C@@H]3CCCN3)c2)CC1 573087691 PNIOEGGITOGBIW-KRWDZBQOSA-N 387.484 0.585 0 40 GCAB COc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN(C)C 585273503 QFQYUMRCEKACLX-NRFANRHFSA-N 393.528 0.905 0 40 GCAB Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1N1CCOCC1 647743082 XCNPONVZPGPVNJ-HNNXBMFYSA-N 382.438 0.155 0 40 GCAB CCn1nc2c(cc1=O)CN(C(=O)NCc1cccc(N3CCOCC3)n1)CC2 681544718 NSDVPAZASDQKQG-UHFFFAOYSA-N 398.467 0.763 0 40 GCAB Cc1nnc2ccc(N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)nn12 1775967150 HEWMWAWUVINAJY-UHFFFAOYSA-N 376.446 0.067 0 40 GCAB CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3cnccn3)c(=O)n1C2 4236295 HVZUDDFQDNYQBW-NWDGAFQWSA-N 389.437 0.269 0 40 GCAB biogenic,in-vitro CCOC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(OCC)cc1 8825039 WAAXPLRNEUYTMA-UHFFFAOYSA-N 388.398 0.180 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc3c(c2)OCO3)n(C)c1=O 10806930 XLVKWKUWIZJGAZ-UHFFFAOYSA-N 376.756 0.699 0 40 GCAB O=C(NCCCN1CCCC1=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 12342432 UHZYJJYRDFJSNY-UHFFFAOYSA-N 384.436 0.589 0 40 GCAB C[C@H](Cc1ccccn1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 19457015 GBDFGYTWDXMMBV-CABCVRRESA-N 391.497 0.963 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20566524 CNPXUJXMQKDTRH-XMDUPGNXSA-N 375.400 0.849 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)CN2CCN(c3nccs3)CC2)c2ccccc2O1 21380170 YQBNREPVZIKXIO-HNNXBMFYSA-N 387.465 0.545 0 40 GCAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(N4CCOCC4)nc3)cnc21 27812071 TTWHIXGEZHIXKY-UHFFFAOYSA-N 383.412 0.390 0 40 GCAB CN(C(=O)COc1coc(CN2CCCCC2)cc1=O)[C@@H]1CCS(=O)(=O)C1 44901163 CXAHILCERPXCTK-CQSZACIVSA-N 398.481 0.650 0 40 GCAB CCC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 48309793 GIYSPLKPBITKTO-UHFFFAOYSA-N 388.511 0.989 0 40 GCAB CCN(CCNC(=O)NCCS(=O)(=O)N1CCOCC1)c1cccc(C)c1 52141108 FPQPKIFSOXQXBF-UHFFFAOYSA-N 398.529 0.783 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2)C(=O)O)CC1 61720046 QOVNOOYJYIQFIX-OAHLLOKOSA-N 376.457 0.422 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C)c1 79092308 PVCWAZJLFCOVQG-GFCCVEGCSA-N 386.426 0.438 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 224671719 SBNYDBSWXGLRSQ-OAHLLOKOSA-N 383.470 0.920 0 40 GCAB Cc1ccc(C2=NN[C@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)[C@@](C)(O)CO)S2)cc1 248091199 MMIZAZUVAUSVMY-TXTZMMAHSA-N 384.498 0.315 0 40 GCAB CCCS(=O)(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306135872 PDKGFLRIRCFXEF-LBPRGKRZSA-N 375.472 0.084 0 40 GCAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 408547850 AGQIFPAIHMNDOQ-ONNFQVAWSA-N 398.755 0.878 0 40 GCAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@@H](CNC(=O)[C@H]1CCOC1)OC2 1565556435 TZVIFCUCMOLOED-HOTGVXAUSA-N 398.463 0.944 0 40 GCAB CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[C@H](C)CC4)C[C@@H](O3)[C@H]2S1(=O)=O 2055738989 FZBBZKVRCVEHQV-KKFZBWNWSA-N 399.557 0.614 0 40 GCAB CN1C[C@]2(CO)C(O)[C@](CO)(C1)[C@@H](c1ccccn1)N(C)[C@H]2c1ccccn1 1612208 QTBLVKOQTUDXKG-JCCIXQHDSA-N 384.480 0.468 0 40 GCAB Nc1nonc1C(=O)NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 4516973 BIIWTUATYJCNFX-UHFFFAOYSA-N 380.213 0.667 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)cc1 4850473 WVNNTHHAFOOSCP-UHFFFAOYSA-N 390.483 0.468 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 5068910 NLFLKHLVEJCFTP-LMHVJCSRSA-N 375.406 0.080 0 40 GCAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CN2C(=O)NC(C)(C)C2=O)n1 9130967 OTJTZVQRXGWKOR-UHFFFAOYSA-N 399.411 0.879 0 40 GCAB O=C1SCCN1CC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 12940094 WLULYAMYFFWMRF-HNNXBMFYSA-N 391.449 0.808 0 40 GCAB Nc1c(C(=O)CSc2nnnn2C2CCCC2)c(=O)[nH]c(=O)n1C1CC1 13116155 GZPCTJOHTPBBQU-UHFFFAOYSA-N 377.430 0.530 0 40 GCAB CC(=O)N[C@H]1CN(S(=O)(=O)c2cn(CC(C)C)nc2C)C2(CCNCC2)C1 19704128 DLYCPQNHSDRLKA-MRXNPFEDSA-N 397.545 0.869 0 40 GCAB CCOc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 20567881 VUSSOTDGBBRHJM-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB O=C(NCCN1CCOCC1)C(=O)NCC1CCN(Cc2ccco2)CC1 23127474 BGFDXBSZYDZLND-UHFFFAOYSA-N 378.473 0.056 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)s1 32836946 DGRZCFRXOZSBHA-UHFFFAOYSA-N 384.483 0.498 0 40 GCAB COc1ccc([C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)N2CCOCC2)cc1 39996840 KKLKEUCNLUJWJI-RDJZCZTQSA-N 382.482 0.619 0 40 GCAB COCCNC(=O)c1ccc2ccc(N3CCN(C(=O)CN(C)C)CC3)n2c1 96267380 WJVASNMINOCLBN-UHFFFAOYSA-N 387.484 0.526 0 40 GCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCn1nnc2ccccc2c1=O 102129938 AGGCFJOBBMVMOR-BETUJISGSA-N 382.376 0.634 0 40 GCAB CN(C)c1cncc(O[C@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)n1 225401466 UBXFXUMMMVYDEO-AWEZNQCLSA-N 397.501 0.194 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1 225679698 MMHGDQHUHFRMPC-UHFFFAOYSA-N 399.450 0.054 0 40 GCAB O=C(CN1C(=O)CNC1=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257310401 UEXUQSKFKHFEPR-INIZCTEOSA-N 388.415 0.013 0 40 GCAB C[C@H](Oc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)N1CCOCC1 408605757 NKHCJVZTHNMMJZ-GOEBONIOSA-N 398.481 0.770 0 40 GCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3)[C@H]2O)CC1 514288564 IDODQWNVQJWTAA-OKZBNKHCSA-N 394.447 0.630 0 40 GCAB biogenic,in-vitro CNC(=O)c1cccc(CCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 607191122 NFHIULVNNHOIEX-UHFFFAOYSA-N 383.404 0.864 0 40 GCAB Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(=O)n(C)c1=O 4337567 CHOUVBMODUSVBH-UHFFFAOYSA-N 392.206 0.786 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 6932555 ZNHYHCXBJGKKKB-UHFFFAOYSA-N 399.325 0.654 0 40 GCAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1cnc2c1c(=O)n(C)c(=O)n2C 8011960 VIYSNYZSHJDQJK-SNVBAGLBSA-N 385.380 0.405 0 40 GCAB O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)N1CCOCC1 8769202 JWBWKOIWIMBFPA-UHFFFAOYSA-N 386.452 0.432 0 40 GCAB Nc1c(N(CCO)C(=O)c2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1 12982007 VRLLDNOBSGXDRW-UHFFFAOYSA-N 398.394 0.945 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13146410 XEZOXSJTYYFYCP-ZIAGYGMSSA-N 379.438 0.838 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(C)no3)CC2)cc1 19665207 CYGQGGKILJENAP-UHFFFAOYSA-N 394.453 0.852 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 22521417 CRJXFHQBMVSSNK-UHFFFAOYSA-N 386.474 0.130 0 40 GCAB O=C(CN1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1)N1CCCCC1 36387107 NMKSMFOOIXNOHO-UHFFFAOYSA-N 383.452 0.693 0 40 GCAB COc1cccc(C[C@@H](C(=O)N2CCC(CC(N)=O)CC2)n2nnnc2C)c1 48366507 IQQOUWJKQMNLLA-KRWDZBQOSA-N 386.456 0.888 0 40 GCAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 58231278 KNWGCOBJKHOWBG-KRWDZBQOSA-N 376.369 0.114 0 40 GCAB CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(Br)s1 71894772 JCIVGDNFTSXLOA-UHFFFAOYSA-N 377.307 0.728 0 40 GCAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccco1 72326163 SSUIWOMFYXWXJL-IBGZPJMESA-N 383.408 0.855 0 40 GCAB NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 78904120 CPIHZZZGEXALGN-UONOGXRCSA-N 387.483 0.060 0 40 GCAB CCCn1c(=O)n(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)c2ccccc21 95969817 OBDKCIRSTVQVKU-HNNXBMFYSA-N 388.424 0.405 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCN(C)C 225547234 KOKDFBZWUJCIOI-UHFFFAOYSA-N 399.513 0.327 0 40 GCAB CCN1CCN(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)C(=O)C1=O 253408139 XCRFQNUOBMMCCA-ZDUSSCGKSA-N 380.470 0.770 0 40 GCAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)N[C@H]3OCCC[C@H]32)nc(N)n1 257291472 QHBHIYUMDSOTCW-XPCVCDNBSA-N 386.456 0.939 0 40 GCAB O=C(Cn1c(O)nc2ccccc2c1=O)NCCn1c(CO)nc2ccccc21 524734499 LBJHCLLFJYWJFN-UHFFFAOYSA-N 393.403 0.761 0 40 GCAB CCCOC1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 585290260 PIEBHZKPJYEMPD-MOPGFXCFSA-N 398.525 0.674 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(Cn2cccn2)cc1 629576510 MVWJCKZUKNBHFL-INIZCTEOSA-N 378.454 0.322 0 40 GCAB CN1C[C@@H](O)CNS(=O)(=O)c2ccccc2O[C@H]2CN(CC3CC3)C[C@H]21 1534612820 LIDBFIHRIMRLLB-UXLLHSPISA-N 381.498 0.113 0 40 GCAB CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1C 4357532 ITSKRTJONRLOEA-AWEZNQCLSA-N 387.433 0.124 0 40 GCAB COCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 4553916 KGRFXZSEKMHAFM-HNNXBMFYSA-N 397.497 0.499 0 40 GCAB O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9134268 QRLVPGYILQWNRB-JTQLQIEISA-N 398.466 0.683 0 40 GCAB COc1ccc(S(=O)(=O)NCCCC(=O)O)cc1N(C)S(C)(=O)=O 9849124 GKWKWDHTJMAQCG-UHFFFAOYSA-N 380.444 0.234 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O 12603541 YSMQYFAZRNAJBR-HDEZJCGLSA-N 383.420 0.029 0 40 GCAB biogenic,in-vitro CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(NC(C)=O)cc1 19797305 QSPVAWPVQNXMLA-HOTGVXAUSA-N 388.511 0.974 0 40 GCAB OC[C@H]1O[C@@H](Oc2cc(O)cc(CCc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 31157241 GMYAXWBDOODSNF-OUUBHVDSSA-N 392.404 0.062 0 40 GCAB biogenic,in-vitro CCN(CC)c1ccc(NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 48173750 IKIFEPYTBBNLBS-CQSZACIVSA-N 397.501 0.743 0 40 GCAB Cc1ccc(CN(Cc2nc(C)c(CC(=O)O)c(=O)[nH]2)S(C)(=O)=O)cc1 49468713 WTBGCJWKYPNIIF-UHFFFAOYSA-N 379.438 0.976 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2nc3nccc(C)n3n2)NC(=O)N[C@H]1CC 65625830 YJGFEHSHZXDXLB-JTQLQIEISA-N 388.384 0.498 0 40 GCAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 95461740 MPGXSDMTMNHKJY-JTQLQIEISA-N 396.874 0.568 0 40 GCAB O=S(=O)(Nc1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 95950214 JHHKYHZMIOPCNL-UHFFFAOYSA-N 383.451 0.903 0 40 GCAB CC(C)OCCC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998293 FQGLEFWEGGVMNR-QGZVFWFLSA-N 377.489 0.875 0 40 GCAB Cc1nc2ncnn2c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1C 95999609 OUPGFNQSQRZUSN-AWEZNQCLSA-N 380.474 0.372 0 40 GCAB CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cnn(C)c3)CN(C)C(=O)C2)CC1 96113401 JIYPGVQIZSHZSQ-QZTJIDSGSA-N 390.532 0.301 0 40 GCAB biogenic,in-vitro O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccc2c(c1)OCCO2 211102370 PVCIJCOCXOJXFI-UHFFFAOYSA-N 392.437 0.563 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc(=O)c2ccccc2o1 225795147 QHNCKMKCNOPOSP-UHFFFAOYSA-N 378.344 0.621 0 40 GCAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1cnn(-c2ccccc2)n1 240122728 WIMYSJPUOFLMML-UHFFFAOYSA-N 379.355 0.941 0 40 GCAB COc1ncccc1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1 247887507 SBAYHAWNDRZLHQ-GFCCVEGCSA-N 379.442 0.108 0 40 GCAB C[C@@]1(O)[C@@](C)(CO)O[C@@H](N2CCN(Cc3ccccc3)CC2)[C@](C)(O)[C@]1(C)O 257345183 XOSLXWLHQVUTQP-ADAARDCZSA-N 394.512 0.165 0 40 GCAB COc1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N2CCCC2)n1 575605574 BXOURHUGSGQKHS-UHFFFAOYSA-N 395.423 0.507 0 40 GCAB Cc1noc(C)c1COc1ccc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cc1 2037916451 UOEGUSPUCIOJFY-QZTJIDSGSA-N 395.481 0.965 0 40 GCAB O=C(O)[C@@H](Cc1ccccc1N(CCO)CCO)N1C(=O)c2ccccc2C1=O 1702708 SIXZCGGIWOIEJY-GOSISDBHSA-N 398.415 0.770 0 40 GCAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 3248665 RJDXALFSOBMTDZ-GFCCVEGCSA-N 380.422 0.633 0 40 GCAB O=C(O)CSC(SCC(=O)O)C(SCC(=O)O)SCC(=O)O 4284421 AWLPPBSWOMXWGA-UHFFFAOYSA-N 390.482 0.910 0 40 GCAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1C=CS(=O)(=O)C1 9306853 GLLNHURCBKAQCU-CYBMUJFWSA-N 391.449 0.677 0 40 GCAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccco1 12163285 FXOWUEZAGZILHC-UHFFFAOYSA-N 378.454 0.947 0 40 GCAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)cc1 12525873 IRYWEFYNQIWLEN-UHFFFAOYSA-N 384.435 0.755 0 40 GCAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)NCc1ccc2c(c1)OCO2 12599966 SHPMYXZRQTTWNI-MRXNPFEDSA-N 391.355 0.503 0 40 GCAB O=C(CN1CCN(C(=O)CSc2ncn[nH]2)CC1)Nc1ccc(F)cc1 32702745 WOZMKHQXXPBOHP-UHFFFAOYSA-N 378.433 0.819 0 40 GCAB CC(=O)O[C@H]1CO[C@H](n2ncc(=S)nc2O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 35242174 NZFFGFFXGOVKBU-SQNXGDPESA-N 387.370 0.037 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1N(C)S(C)(=O)=O 36352307 JCGAMHBZZGQZOL-UHFFFAOYSA-N 389.543 0.944 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 38836420 MQIRWHNBBCGCKI-HNNXBMFYSA-N 397.453 0.514 0 40 GCAB Cc1ccnc(NC(=O)C2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 40149598 VTKJGMRGHKTVDZ-HNNXBMFYSA-N 394.497 0.344 0 40 GCAB Cc1cc(NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc(-c2ccncc2)n1 58357128 CTLPHVQVOZLDBR-CQSZACIVSA-N 375.454 0.952 0 40 GCAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70999337 PRQZHHGAQKQXHM-BMIGLBTASA-N 380.364 0.928 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H](c3cnn(C)c3C)NS(=O)(=O)N2C)c1 72335069 PLTLZSUVCKJCSM-HIFRSBDPSA-N 393.469 0.961 0 40 GCAB O=C1NC(=O)C(O)(c2c(O)c3ccccc3n(Cc3ccccc3)c2=O)C(=O)N1 100478962 FACNUSHNBHSUCQ-UHFFFAOYSA-N 393.355 0.309 0 40 GCAB COC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]4Sc5[nH]c(=O)sc5C=C34)[C@H]2C1=O 101262444 FPRPJYTYDKSJPK-JZWGHCSUSA-N 378.431 0.718 0 40 GCAB C[C@@H](C(=O)NCCCN1CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O 220480607 OBUWRKZJDIBFBO-AWEZNQCLSA-N 387.477 0.819 0 40 GCAB Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2cncnc2O)CCN1C 257228877 FVRBWTLAUGMMFO-MRXNPFEDSA-N 399.451 0.442 0 40 GCAB CC(=O)OC[C@]1(CC(=O)N2CCCC2)CCCN1C(=O)Cc1nonc1C 643587082 SUTYKYDWEOWRQT-GOSISDBHSA-N 378.429 0.857 0 40 GCAB O=C(N1CCC1)C1(n2ccnc2)CCN(S(=O)(=O)c2cccnc2)CC1 2055708115 KUULUKKDFYSQIA-UHFFFAOYSA-N 375.454 0.690 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NN3CCN(C)CC3)cc2)C[C@H](C)O1 3169768 ITRBFUSDYJATBK-GJZGRUSLSA-N 396.513 0.377 0 40 GCAB Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc4C3)n2C)n(C)c1=O 4102843 XKSWXQJCIYWGGM-UHFFFAOYSA-N 399.476 0.648 0 40 GCAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 6886431 CFLIYTPBBWOSRN-LBPRGKRZSA-N 375.830 0.874 0 40 GCAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnnn1C[C@H]1CCCO1 9952448 CGIYUYRBQAHAKD-LLVKDONJSA-N 395.466 0.789 0 40 GCAB COC(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12881281 KETCQPMDPDBRSW-ZDUSSCGKSA-N 393.421 0.577 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 12997292 DASDHSZAIZQNHK-AWEZNQCLSA-N 378.454 0.696 0 40 GCAB COCCn1nc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1=O 24498619 MTYASMRJYWCKIB-GFCCVEGCSA-N 379.438 0.784 0 40 GCAB CCCn1c(=O)n(CN2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21 26648965 UBYNNAIHQMCJIK-UHFFFAOYSA-N 381.502 0.595 0 40 GCAB Cn1c(=O)c2c(ncn2CCOC(=O)CCCOc2ccccc2)n(C)c1=O 32836114 YSXQRHBTVGGPLF-UHFFFAOYSA-N 386.408 0.836 0 40 GCAB NC(=O)COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 34967083 NTRGASZPQWSROO-ZROIWOOFSA-N 379.401 0.625 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)NCCN2CCOCC2)cc1 36625105 SBKMEUWPSCBVMW-QGZVFWFLSA-N 396.513 0.737 0 40 GCAB NC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 50858697 GLGNFCJLZGRZQO-LSDHHAIUSA-N 387.461 0.802 0 40 GCAB NC(=O)Cn1cc(NC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cn1 72274558 ZXOLKCXAHLBVIV-HNNXBMFYSA-N 385.428 0.462 0 40 GCAB CC1(C)S[C@]2(C)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 257173382 LRPHFKKYEGFXMH-BDBYMAIGSA-N 379.438 0.414 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390831503 SEPYIOOPYXWZPC-CYBMUJFWSA-N 390.407 0.229 0 40 GCAB OC[C@@H](O)[C@H]1OCCCCCCN(Cc2cc(F)cc(F)c2)C[C@H](O)[C@H]1O 643913333 RJQMUJGREZXMJY-WJFTUGDTSA-N 389.439 0.801 0 40 GCAB COCCN1C(=O)C[C@H](CNc2nc(N)nc3c2cnn3C)[C@H]1c1cnn(C)c1 664116839 UAVIAGSEPGPMJS-ABAIWWIYSA-N 399.459 0.327 0 40 GCAB Cn1cnc([C@@H]2CN(CCn3cc(Cl)cn3)C[C@H]2C(=O)N2CCOCC2)c1 1614995574 DQTHJNHORVSNLM-HZPDHXFCSA-N 392.891 0.844 0 40 GCAB COC1(CNC(=O)c2ccc3nsnc3c2)CCN(S(C)(=O)=O)CC1 1888906642 XMPLKZHXHQKWCG-UHFFFAOYSA-N 384.483 0.862 0 40 GCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)c2ccccc2)CC1 4454214 NCCRUDGKMCTBGD-OAHLLOKOSA-N 398.467 0.299 0 40 GCAB COC(=O)C1=C(C(=O)OC)N2C=CC=C[C@]2(C)C(C(=O)OC)=C1C(=O)OC 4666844 MVLRFVJPKWICQX-GOSISDBHSA-N 377.349 0.387 0 40 GCAB COc1ccc(CNC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)cc1OC 7166796 YIPOZWREQXAYGB-ZDUSSCGKSA-N 381.429 0.946 0 40 GCAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 7296630 GGEMJCHCWFWMCO-GOSISDBHSA-N 375.381 0.897 0 40 GCAB CCOC(=O)/C=c1\s/c(=C\c2ccccc2Cl)c(=O)n1CC(=O)OC 7716439 ZZLPTWPALJDLOU-QKPPEBSVSA-N 381.837 0.909 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C(=O)N(C)C)cc1 12790673 BMCXBQGGIKWOMO-UHFFFAOYSA-N 391.449 0.974 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cnc21 19662779 VFTYBPYSTGDPBX-OAHLLOKOSA-N 382.424 0.733 0 40 GCAB CCN1C(=O)C[C@@H](NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1=O 20608734 QSPGJZDJCAIZFG-MRXNPFEDSA-N 395.481 0.585 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(O)nn3)CC2)cc1 24980789 KWRHGUKYEOMBLD-UHFFFAOYSA-N 392.437 0.774 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 40081137 WQYSWLHOMFTBHN-HUUCEWRRSA-N 399.488 0.866 0 40 GCAB O=C(Nc1nccs1)C1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1 44226619 FRAOEOQHCBNHHN-UHFFFAOYSA-N 377.426 0.261 0 40 GCAB CNC(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NC)cn2C)c1 58362666 RIQKHHVWGBGPSO-UHFFFAOYSA-N 380.426 0.554 0 40 GCAB NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(-c3ccccn3)nn2)cc1 62022531 XUEBNQILPNQYQQ-UHFFFAOYSA-N 399.432 0.995 0 40 GCAB Cc1cnc(C(=O)N2CC[C@]3(COCc4cnc(N5CCOCC5)nc43)C2)cn1 96080352 FGKDUPUUNZHWHR-HXUWFJFHSA-N 396.451 0.726 0 40 GCAB Cc1cccc(Nc2ccc(N3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)nn2)n1 96817327 WCQLMIDREZADMH-AWEZNQCLSA-N 381.440 0.851 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 105657724 FAEZUUDFCKEJGB-HOTGVXAUSA-N 391.534 0.453 0 40 GCAB C[C@H]1Oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2NC1=O 252493907 NGFPZFABZDGWKN-SECBINFHSA-N 397.434 0.854 0 40 GCAB CC(C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccccc2OCCN(C)C1=O 643557022 QCGXTBUZCHQTKU-KCXAZCMYSA-N 377.441 0.157 0 40 GCAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N2CCC[C@@H]2C1=O 643559763 LORBHKDIFAYYDM-UONOGXRCSA-N 389.408 0.102 0 40 GCAB C[C@]1(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)Oc2ccccc2NC1=O 1586898462 ICANUDSJWXFQLN-OALUTQOASA-N 386.408 0.613 0 40 GCAB CC[C@H]1C(=O)N(CC)CCN1C(=O)Cn1cnc2c1CCNC21CCOCC1 1615548018 BESIAXQUALYRHM-HNNXBMFYSA-N 389.500 0.504 0 40 GCAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)c5cn(C)cn5)C[C@H]4C3)n1)CCC2 1888890091 OSCPRLOWHQVXCI-ZIAGYGMSSA-N 388.497 0.764 0 40 GCAB COC(CNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)OC 4193515 KGQALWPHEDRXSD-STQMWFEESA-N 399.494 0.716 0 40 GCAB O=S(=O)(c1ccc(OC[C@H](O)CNC2CC2)c(Cl)c1)N1CCOCC1 4979997 BTXDPRHXFSGNSR-CYBMUJFWSA-N 390.889 0.853 0 40 GCAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)NCc1ccc2c(c1)OCO2 9544349 FZDDGDHIIAGEST-UHFFFAOYSA-N 389.389 0.381 0 40 GCAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12858484 HVTYFWUOIXOGJD-UHFFFAOYSA-N 381.845 0.859 0 40 GCAB C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)C(N)=O 14245232 BOCRLCXDCMYHNI-SNVBAGLBSA-N 398.466 0.723 0 40 GCAB O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)O)cc1 16428220 AMMTYIWLINZIOP-ZDUSSCGKSA-N 388.423 0.638 0 40 GCAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(C)CC3)N2)cc1 20059528 YLRRDBXXYBRWHW-HNNXBMFYSA-N 387.440 0.294 0 40 GCAB CCc1nn2c(=O)cc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc2s1 22931885 VTRNAOMTFOYBOA-CYBMUJFWSA-N 397.526 0.018 0 40 GCAB O=C(CSc1nnc(C2CC2)o1)N1CCN(CC(=O)N2CCCC2)CC1 35310593 UEGJUPKWFIYOAR-UHFFFAOYSA-N 379.486 0.806 0 40 GCAB CN(C)S(=O)(=O)c1cccc(COC(=O)CCCN2C(=O)CNC2=O)c1 40159185 HDAVYCHVUUXYKV-UHFFFAOYSA-N 383.426 0.312 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CCNC(=O)OCC(F)(F)F)cc1 48310404 ZCQMFYCGWCBOQR-UHFFFAOYSA-N 383.348 0.629 0 40 GCAB O=C(NC[C@H](O)COc1ccc(F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 58078207 VVPUICXQMREHTG-AWEZNQCLSA-N 395.412 0.179 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CCN(c2cnccn2)CC1 70898543 NIHMEYBZVIWLLS-UHFFFAOYSA-N 397.435 0.854 0 40 GCAB COCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 72265452 IZQDAFZBMBHLDU-UHFFFAOYSA-N 384.454 0.628 0 40 GCAB CC(C)[C@@](C)(O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 72304287 GBPZCOOIEYDDEI-KRWDZBQOSA-N 385.486 0.190 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CC(c2nc(Cc3ccccc3)no2)C1 77190662 YIAUWVYWSWLSHD-UHFFFAOYSA-N 381.392 0.527 0 40 GCAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)Cn2c(-c3ncccn3)noc2=O)c1 103793525 FJLBIRKGZFOFOY-HZHRSRAPSA-N 391.391 0.907 0 40 GCAB COCCOC[C@@]1(CNS(=O)(=O)c2ccc(Cl)cc2)C[C@H](O)[C@H](O)C1 107430676 CXBUVDOBGIGXGG-MUJYYYPQSA-N 393.889 0.783 0 40 GCAB biogenic,in-vitro COc1ccc(CCn2c(=O)[nH]c(C(=O)O)c(CN(C)C)c2=O)cc1OC 222655750 KRZVAQLUGDZBSL-UHFFFAOYSA-N 377.397 0.556 0 40 GCAB CC(=O)N1Cc2ccc(S(=O)(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cc2C1 659928050 SQLFNHXJLKQJOD-IRXDYDNUSA-N 377.466 0.980 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@](C)(CO)c1ccccc1 675294917 WWIYAUZWXPQNAL-SFHVURJKSA-N 393.465 0.778 0 40 GCAB COCCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)[C@H]2CCOC2)C1 1565555645 FHWLQWIVTKOSJB-LIRRHRJNSA-N 391.472 0.246 0 40 GCAB NC(=O)c1nn(-c2ccccc2)nc1NC(=O)Cn1nnc(-c2ccccc2)n1 1071932 GEFJJKKRKMXEEL-UHFFFAOYSA-N 389.379 0.658 0 40 GCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 2449755 WVATXAPVBODNRA-UHFFFAOYSA-N 382.468 0.808 0 40 GCAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)NC(N)=O)sc(C(C)=O)c1C 3329408 HEKKGQGVMVNBGA-QMMMGPOBSA-N 399.425 0.974 0 40 GCAB Nc1cc(N)nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 3405716 WMCZXSSWNOLONU-UHFFFAOYSA-N 386.359 0.905 0 40 GCAB COc1cccc(-n2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)c1 5033125 SBJHYTHJJQFQGI-UHFFFAOYSA-N 380.364 0.895 0 40 GCAB NC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1 5082423 MNARZQLMMGRYEV-UHFFFAOYSA-N 388.203 0.537 0 40 GCAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCCC1 6586737 PGUJBYACUDQVSG-UHFFFAOYSA-N 381.454 0.571 0 40 GCAB CCn1cc(C(=O)N[C@@H](C)C(=O)NCCCO)c(=O)c2cc3c(cc21)OCO3 6760799 QHYYUBOJKAUBJT-NSHDSACASA-N 389.408 0.367 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2N2CCCC2=O)n(C)c1=O 8719715 ZOMTYYUSUPANCX-UHFFFAOYSA-N 396.407 0.199 0 40 GCAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N[C@@H]1CCS(=O)(=O)C1 14251333 LFQOSABUDPRQHM-GXSJLCMTSA-N 398.462 0.579 0 40 GCAB CN(C)C(=O)CCCS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 48288354 RBGHEJLIKUCPSK-UHFFFAOYSA-N 376.500 0.720 0 40 GCAB COCCN(C)CCCNC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C 48291049 SMJZNRFQKCBOBW-SFHVURJKSA-N 390.488 0.858 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96380278 CWZGHDISVSAYLA-UHFFFAOYSA-N 375.468 0.917 0 40 GCAB CC(=O)Nc1ncc(S(=O)(=O)NCCn2cnc3sccc3c2=O)s1 238967773 ZCSVHTUZRRWGEQ-UHFFFAOYSA-N 399.479 0.851 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCN1C 257224658 FCTOSRNNLHYEKD-ZDUSSCGKSA-N 383.374 0.944 0 40 GCAB O=C(NC[C@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cc[nH]n1 257316089 VEBAESAEOVTTSR-LJQANCHMSA-N 383.408 0.525 0 40 GCAB Cc1cc(N2CCC[C@H](N3CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)n(C)n1 574114290 SAJULKIJYHAKLE-INIZCTEOSA-N 397.483 0.540 0 40 GCAB CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cnc(C3CC3)nc2N)cn1 588694066 YBEBCQUINBMHLL-CQSZACIVSA-N 390.469 0.765 0 40 GCAB COc1cc(Br)cc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1 654786389 BNXSRKRMKBGZFS-LLVKDONJSA-N 380.216 0.932 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(c2nc3ccccc3s2)CCO1 662890977 BRUIMEBISZVYHP-LLVKDONJSA-N 385.467 0.848 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnc(O)n(C)c5=O)C[C@H]4C3)n1)CCC2 1888875843 NKDBFLYHTMSGFZ-BETUJISGSA-N 396.451 0.281 0 40 GCAB Cc1ccncc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243007 YOXMBEXASQDMHB-HNNXBMFYSA-N 379.482 0.494 0 40 GCAB CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)cccc12 3013799 AMOCBWNWZULALT-CYBMUJFWSA-N 379.438 0.903 0 40 GCAB COC(=O)CN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 3644989 NRXYXPOYOYMXAP-KRWDZBQOSA-N 390.421 0.670 0 40 GCAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc32)cc1C 5057152 LXJIQANHMGFSEG-OAHLLOKOSA-N 382.424 0.889 0 40 GCAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N[C@@H]1CCS(=O)(=O)C1 14251330 LFQOSABUDPRQHM-MWLCHTKSSA-N 398.462 0.579 0 40 GCAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@H](C)O[C@@H](C)C1 23115108 KUNAYMPXEPXVAB-RYUDHWBXSA-N 388.472 0.412 0 40 GCAB CCCn1c(N2CCN(C(=S)NCC)CC2)nc2c(C)nn(C)c2c1=O 28559199 NDRFQVNXSPXSKY-UHFFFAOYSA-N 377.518 0.865 0 40 GCAB CN(CC(=O)Nc1ccn(C)n1)S(=O)(=O)c1ccc2c(c1)OCCCO2 29352867 XRIVNFJSQYLLFD-UHFFFAOYSA-N 380.426 0.841 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 31837360 BMIIPBOVYKIKLB-IBGZPJMESA-N 388.424 0.754 0 40 GCAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 40267305 BVTNSLYATMUYGH-ZDUSSCGKSA-N 377.422 0.222 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccco3)ccc2=O)CC1 42379621 PVZWWCIQKVYPEW-UHFFFAOYSA-N 394.453 0.291 0 40 GCAB C[C@H](CNC(=O)N1CCN(CC(N)=O)CC1)N1CCN(c2ccccc2)CC1 45313894 MQGGWXJPTBPILO-QGZVFWFLSA-N 388.516 0.010 0 40 GCAB O=C(c1ccc2[nH]nnc2c1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124288 MBUPDPFAVXNNSN-UHFFFAOYSA-N 376.384 0.291 0 40 GCAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226860211 CZHHCXZFCPENNQ-UHFFFAOYSA-N 381.391 0.018 0 40 GCAB COc1cccc(CNC(=O)c2cn3c(nc2=O)C[C@@]2(CCN(C(C)=O)C2)C3)c1 306126673 FBRJWGFGYIBLTJ-OAQYLSRUSA-N 396.447 0.977 0 40 GCAB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408651461 AZRJKJMRKFAKAQ-BMEPFDOTSA-N 384.388 0.984 0 40 GCAB Cn1c(=O)n(CC(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)c2ccccc21 572486365 WOXVHJSUKLDRCD-LBPRGKRZSA-N 384.396 0.493 0 40 GCAB CS(=O)(=O)CC[C@H]1NC(=O)N(CCc2ccc3c(c2)OC(F)(F)O3)C1=O 585093546 RYODENWYNUKEGA-SNVBAGLBSA-N 390.364 0.906 0 40 GCAB COCCN1C(=O)CN(C2CCN(CC(=O)NCc3ccco3)CC2)C1=O 952986364 LQEIKTKHRINEAL-UHFFFAOYSA-N 378.429 0.271 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1(N2CCOCC2)CCC1 1775974380 PFGPASFRDVEGPV-UHFFFAOYSA-N 375.425 0.403 0 40 GCAB COc1cc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)ncn1 2070388311 JMFWTNMNKPVTSL-UHFFFAOYSA-N 396.495 0.956 0 40 GCAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(CC3CC3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242303 ZZFQCJOYHGPVRE-ULQDDVLXSA-N 391.516 0.284 0 40 GCAB Cn1c(=O)n(CC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)c2ccccc21 720106 BGYQPDGKBJVLPF-UHFFFAOYSA-N 391.391 0.658 0 40 GCAB CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 930487 LPORNARJUMIIRW-UHFFFAOYSA-N 387.465 0.629 0 40 GCAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(N)=O 3398734 LGEKJPYXYZYFRQ-JTQLQIEISA-N 379.394 0.245 0 40 GCAB CC(=O)[C@H](C)N1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148221 LCHIWZQGRRYUGN-JTQLQIEISA-N 398.398 0.775 0 40 GCAB NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 5602348 SHYRYHQCPWCSJC-UHFFFAOYSA-N 392.389 0.901 0 40 GCAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 6905250 TZSYVHWTBMCDRZ-UWZYDCLUSA-N 380.422 0.010 0 40 GCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H](O)C3)CC2)Oc2ccccc21 12085718 VKROHCJVTNVRBR-VBKZILBWSA-N 387.436 0.501 0 40 GCAB NC(=O)COc1cccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 12552437 GJSWMFVCBYYPFV-UHFFFAOYSA-N 388.405 0.228 0 40 GCAB CN(CC(=O)Nc1nncs1)S(=O)(=O)c1ccc2c(c1)OCCCO2 12850546 JTHTZOYZPYRXBP-UHFFFAOYSA-N 384.439 0.959 0 40 GCAB CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 15192380 VAMKECKYWRNFRD-UHFFFAOYSA-N 387.421 0.681 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)c1 16187824 DODWYZJKRACKBC-UHFFFAOYSA-N 396.469 0.727 0 40 GCAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1F 16799796 YMYNAHXVRBMMJJ-SNVBAGLBSA-N 389.405 0.270 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccco1 20637033 QPINWYWYRZQIIU-KGLIPLIRSA-N 392.412 0.760 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 20889036 MMSNVEAMZFJKBV-UHFFFAOYSA-N 381.454 0.923 0 40 GCAB Cc1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)c2c(C)n[nH]c2n1 72270519 QQQSPJSZTXETNE-UHFFFAOYSA-N 383.499 0.683 0 40 GCAB CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 72311865 YVRMRQZVANGJLI-GFCCVEGCSA-N 391.490 0.163 0 40 GCAB O=C(CCn1nnc2ccccc21)NCCn1nnn(-c2cccs2)c1=O 72341021 DPYLYRPFKRMIEU-UHFFFAOYSA-N 384.425 0.442 0 40 GCAB CC(=O)N1CCC[C@H]1C(=O)N1CC(C(=O)NCc2ccccc2CN(C)C)C1 72344619 ZLHYUXLGXOGRSR-IBGZPJMESA-N 386.496 0.834 0 40 GCAB COCC(=O)NC[C@H]1OC[C@@H](N(Cc2ccncc2)Cc2ccncc2)[C@@H]1O 77263730 BOQLJRBZUMPWED-GGPKGHCWSA-N 386.452 0.370 0 40 GCAB biogenic,in-vitro Cc1cc(C)n(C[C@H](C)NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 89594101 ZFRUPYXCEKFPQG-WMZOPIPTSA-N 391.516 0.718 0 40 GCAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)N(C)C)CC3)C1=O 96036617 NJGGUSVHZDPXPZ-LJQANCHMSA-N 379.505 0.986 0 40 GCAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCSc1ncn[nH]1 226039841 TYJQYEQWYBZFLR-UHFFFAOYSA-N 383.499 0.517 0 40 GCAB O=C(C1CC1)N1CC[C@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 306129562 IGYARLQMMNUWRY-FQEVSTJZSA-N 388.468 0.897 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2CCOC2)C3)n1 306144687 ZMCGTTLAIMYCHR-UONOGXRCSA-N 381.454 0.216 0 40 GCAB C[C@@]1(c2ccc(C(=O)NC3(c4ncon4)CCOCC3)cc2)NC(=O)NC1=O 1116600026 NLZXUMAWSLSWTL-KRWDZBQOSA-N 385.380 0.560 0 40 GCAB COc1ccc([C@H](CC(=O)N[C@@H]2CONC2=O)c2oc(C)cc(=O)c2O)cc1 1547139483 RAWNWYRHEUPVRV-UONOGXRCSA-N 388.376 0.731 0 40 GCAB biogenic Cc1nc(N2CCN(c3ncnc4c3cnn4C)CC2)cc(-n2cccn2)n1 1889211570 IEYKBMMQWSWCQR-UHFFFAOYSA-N 376.428 0.974 0 40 GCAB O=C(C1CC(F)(F)C1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243211 RUKUWUGUDPXNOO-LBPRGKRZSA-N 375.397 0.323 0 40 GCAB Cc1ccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 3333300 YMANULAJQZDRPN-UHFFFAOYSA-N 381.479 0.793 0 40 GCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(CC)c1 4371037 YCHYQBVSEZSFLP-CYBMUJFWSA-N 387.440 0.857 0 40 GCAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1nnn(-c2ccccc2)c1=O 9113101 DUELNYMSMAKEHE-UHFFFAOYSA-N 381.392 0.859 0 40 GCAB NC(=O)c1ccsc1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198435 CGUNWKGRUVSHIX-UHFFFAOYSA-N 378.801 0.882 0 40 GCAB O=S1(=O)C[C@H](NCc2ccccn2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371489 BQEACKNFEHHYSW-HOTGVXAUSA-N 384.454 0.950 0 40 GCAB COCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC)cc1 13371634 LWBUXWVZZKGXNJ-GJZGRUSLSA-N 377.484 0.261 0 40 GCAB Cc1cccc2c3c([nH]c12)CCN(C(=O)CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21)C3 19236558 FHEDBOLXJUSYKU-IAGOWNOFSA-N 382.424 0.741 0 40 GCAB CNc1cc(C(=O)NCCc2nc(C)ncc2C(=O)N2CCOCC2)ccn1 19697452 RAFLSDPAGAWUAL-UHFFFAOYSA-N 384.440 0.667 0 40 GCAB CN(CC(=O)Nc1ccc(-n2cnnn2)cc1)S(=O)(=O)c1cccs1 20681620 SRLSYUGPOWCYNR-UHFFFAOYSA-N 378.439 0.983 0 40 GCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NC(=O)Nc1ccccc1F 22786639 OWORVMXBRVGIGQ-UHFFFAOYSA-N 377.420 0.370 0 40 GCAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCOCC2)C3)ccc1O 35590340 VCLNWYUVPPJDOP-KRWDZBQOSA-N 388.424 0.183 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1 58160962 LBVWDCWUGWCGOY-VXGBXAGGSA-N 379.479 0.066 0 40 GCAB COCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 89638878 MYSDKYOCLXRLBI-UHFFFAOYSA-N 384.498 0.863 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NCCCO)cn2)cc1 223386438 GSWMVQQWKMFFMQ-UHFFFAOYSA-N 378.454 0.718 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1C 575420997 GBZOHQMHDVLKEH-LSDHHAIUSA-N 391.511 0.143 0 40 GCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2ncccn2)CC1 1772595181 AGAPEFJEFZGAMT-MRXNPFEDSA-N 384.484 0.277 0 40 GCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cc(C)n(C)n5)C[C@H]4C3)nn12 1888904239 FDHXEGGBLBPPPS-ZIAGYGMSSA-N 380.456 0.937 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1ncccn1 812591 QJMQHJSKCVPTCK-UHFFFAOYSA-N 387.469 0.996 0 40 GCAB CN(C(=O)COC(=O)/C=C/c1cnc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 2663759 QINWNTVNKYUASL-PSKZRQQASA-N 389.433 0.832 0 40 GCAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)O 5733361 KQRARTKRXBMYFN-SWLSCSKDSA-N 379.413 0.643 0 40 GCAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 9547033 ZWIVQCAUNNSECN-AWEZNQCLSA-N 383.470 0.808 0 40 GCAB CCOC(=O)N1CCN(C(=O)CSc2nnc3nc(O)c(C)c(C)n23)CC1 9829360 ADRQEPLFJHPNHP-UHFFFAOYSA-N 394.457 0.840 0 40 GCAB Cn1c(=O)c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)sc2n(C)c1=O 12422787 DSQPEXXZJBRTRY-UHFFFAOYSA-N 394.434 0.198 0 40 GCAB O=C(C1CC1)N1CCc2c(O)nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc2C1 19014485 FZYOPWFPPFIVCC-CZUORRHYSA-N 386.452 0.972 0 40 GCAB CC(=O)N[C@@]12CCN(S(=O)(=O)c3ccc(F)c(C)c3)C[C@@H]1CN(C(C)=O)C2 19712995 NMZVMYBDGLICCW-MAUKXSAKSA-N 397.472 0.882 0 40 GCAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 24491054 LEILCPMBNKHQPQ-KBPBESRZSA-N 379.482 0.925 0 40 GCAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(N)=O 24655623 GJYYYKWHQNZVTI-SECBINFHSA-N 376.381 0.783 0 40 GCAB COC(=O)[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 24971027 TZXMWVJNWGJUSB-MRXNPFEDSA-N 396.465 0.875 0 40 GCAB O=C(NCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223501 GJMFIYSTLPDALF-INIZCTEOSA-N 381.498 0.536 0 40 GCAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 30944441 WJBNXMAALAFQOK-INIZCTEOSA-N 383.470 0.052 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3)CC2)CC1 32912704 KKOPJXAONBRJHB-UHFFFAOYSA-N 381.502 0.006 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)C1 40086223 DOEHNBMOSVORLM-MRXNPFEDSA-N 396.513 0.719 0 40 GCAB C[C@H](CCc1ccco1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 47742247 PSBCFQKQLMMGAD-CHWSQXEVSA-N 381.454 0.882 0 40 GCAB COc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 49030473 CEODQEJVODMSBU-UHFFFAOYSA-N 392.456 0.646 0 40 GCAB NC(=O)[C@H]1CN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CCO1 50927115 ZGHQFEIRSLNIGM-QGZVFWFLSA-N 394.431 0.626 0 40 GCAB O=C(CN1CCN(c2ccc3nncn3n2)CC1)N[C@H]1CCOc2ccccc21 106092670 NYIQRQDTKDWCPE-INIZCTEOSA-N 393.451 0.886 0 40 GCAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Cn3ncccc3=O)CC2)c1=O 575607207 WMQZNCYUGHBVAM-UHFFFAOYSA-N 386.334 0.021 0 40 GCAB CCOC(=O)c1ncn(C2CCN(C(=O)N[C@H](CN)C(F)(F)F)CC2)c1N 594524886 MPSFKDYYXZVNLE-SNVBAGLBSA-N 392.382 0.878 0 40 GCAB CC(C)CCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 3381818 UOLFXOWAJHEKHJ-CHWSQXEVSA-N 381.429 0.577 0 40 GCAB Cc1ccc(CN2C[C@H](C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2=O)cc1 21557540 XGWUDFDOVYVRCF-GOSISDBHSA-N 398.507 0.766 0 40 GCAB C[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O 22934805 ZIAARKYDYSPVEE-INIZCTEOSA-N 382.530 0.595 0 40 GCAB CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(F)cc3)CC1)C2=O 23641905 UDLNWKVLQLRRDW-UHFFFAOYSA-N 375.448 0.921 0 40 GCAB CN(C)S(=O)(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 27429884 PQVYALMOCGZERG-UHFFFAOYSA-N 380.470 0.097 0 40 GCAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)no1 41178999 ABOMSJXAFNNSTO-UHFFFAOYSA-N 379.394 0.858 0 40 GCAB CCc1noc(CC)c1CC(=O)NS(=O)(=O)N1CCC(C(=O)OC)CC1 79072792 XXUWYBADCYSIAM-UHFFFAOYSA-N 387.458 0.588 0 40 GCAB O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CCc2ccccc21 84581880 HGMAMVAOGNAJIU-SFHVURJKSA-N 383.452 0.958 0 40 GCAB Cn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1=O 98036326 DHXDVTNYPPUDOH-UHFFFAOYSA-N 375.450 0.922 0 40 GCAB CCn1ncc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C 102628358 RXPBIVTWLKPDDB-KBXIAJHMSA-N 398.423 0.864 0 40 GCAB COCCNC(=O)[C@@H]1COC2(CN(c3ncc(F)cn3)C2)CN1CC1CC1 247818455 CFMNQFRPJBVOEN-HNNXBMFYSA-N 379.436 0.048 0 40 GCAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)nc2n(C)c1=O 257286653 PMKWWYUZCNKNQC-INIZCTEOSA-N 398.394 0.985 0 40 GCAB O=C(O)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575424864 BSKIDTLYAFKRGR-LBPRGKRZSA-N 384.435 0.497 0 40 GCAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 591146217 SQJSKNURSOBFJL-ZDUSSCGKSA-N 395.485 0.194 0 40 GCAB O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCO[C@H]([C@@H]2CCCO2)C1 671771331 YMNBVIXNHKWFHR-KBPBESRZSA-N 394.453 0.248 0 40 GCAB Cn1c(=O)c2cc(C(=O)N[C@@H]3CCc4cc(O)ccc4C3)cnc2n(C)c1=O 683516094 VYBHIFGOABVAFO-CQSZACIVSA-N 380.404 0.625 0 40 GCAB C[C@@H](O)CNC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)c1ccccc1 685940349 GFCVIRHQONKVSD-DGCLKSJQSA-N 384.479 0.871 0 40 GCAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CC3)[C@H](c3cn(C)cn3)C2)cn1 1614995508 CAAROPXQCLBLMJ-HZPDHXFCSA-N 389.481 0.806 0 40 GCAB O=C(Nc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2 2332242935 COSGIQUTXJCDBD-INIZCTEOSA-N 395.481 0.419 0 40 GCAB CCCn1c(=O)c2c(nc3n2CC(C)=NN3CCN2CCCCC2)n(C)c1=O 10386965 FLMGDIKGHMXIES-UHFFFAOYSA-N 387.488 0.989 0 40 GCAB CCOc1cccc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)OC)c(=O)oc12 11565753 AKZODUKUFDDXBS-ZDUSSCGKSA-N 388.376 0.695 0 40 GCAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C(C)=O)CC1 12973618 OTLWYKLALYONDV-QGZVFWFLSA-N 393.509 0.994 0 40 GCAB CCN1C[C@@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O 19526919 LCMRPHCCNOZERN-WMLDXEAASA-N 385.468 0.913 0 40 GCAB CN(C)C(=O)[C@@H]1CN(C(=O)c2cnccn2)C[C@]12Cc1ccccc1C(=O)N2 19581163 NUAUEQKUWHPIMV-MGPUTAFESA-N 379.420 0.362 0 40 GCAB O=C1CC[C@H](CCC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)N1 19748690 SZPJRNZMPITMFL-QGZVFWFLSA-N 384.480 0.852 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc2c1CCC2 20573759 AXBSBPZRLQVWNM-UHFFFAOYSA-N 381.454 0.410 0 40 GCAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 32781074 VPMXSYGZTKNCIH-UHFFFAOYSA-N 386.496 0.882 0 40 GCAB COc1ccccc1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 36774159 FXCCKHKRUIEXPN-ZDUSSCGKSA-N 380.422 0.904 0 40 GCAB CCOC(=O)N1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 58019695 ZDJWBXYSBMXHJS-KRWDZBQOSA-N 389.452 0.887 0 40 GCAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 408558294 QYOMNPQXJWHBOC-UHFFFAOYSA-N 397.497 0.868 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 409287588 WYAXTVOEWSIHGZ-COJSNBRMSA-N 375.333 0.541 0 40 GCAB Cn1cc(-c2nccnc2CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 575620959 WTGBFTYKLHGZCI-UHFFFAOYSA-N 378.458 0.165 0 40 GCAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1 585285483 KBKBSAMWRGCYKS-ICSRJNTNSA-N 396.915 0.911 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 681943185 UJLNIQXIASBMPN-MRXNPFEDSA-N 376.409 0.325 0 40 GCAB O=c1cc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc2ccccn12 1888990268 DELPNZFERHVBTO-UHFFFAOYSA-N 395.444 0.966 0 40 GCAB CC[C@@H](C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O 859411 JUWCUJFIMNFYJA-KRWDZBQOSA-N 390.436 0.953 0 40 GCAB CCOC(=O)C(C(=O)OCC)C(C(=O)O)C(C(=O)OCC)C(=O)OCC 4692490 FFGVIJKBOBIXBD-UHFFFAOYSA-N 376.358 0.172 0 40 GCAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCCC1 8036267 ASIHABDYCZFOSS-UHFFFAOYSA-N 392.481 0.634 0 40 GCAB Cc1ccccc1-n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 9712757 SBLRBRKLDIAOMY-UHFFFAOYSA-N 399.436 0.713 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c1 10753470 YRQCBKPBTJQZTR-AWEZNQCLSA-N 398.437 0.501 0 40 GCAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cnccn1 12163448 DNUDDDACADCJKR-UHFFFAOYSA-N 390.469 0.144 0 40 GCAB CN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 13525980 MPDQUPOHWSLZHY-LLVKDONJSA-N 378.406 0.330 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)N2CCN(CCO)CC2)sc2c1CCCC2 20573611 RVMRHZYEBKWMEW-UHFFFAOYSA-N 395.481 0.489 0 40 GCAB Cc1nnc2ccc(-c3cccc(NC(=O)CCn4ccc(=O)[nH]c4=O)c3)nn12 38486315 BLWHIADIJJTMJY-UHFFFAOYSA-N 391.391 0.979 0 40 GCAB CNS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)N2CCOCC2)cc1 39969247 ABMZVWROVDXUGA-UHFFFAOYSA-N 383.514 0.754 0 40 GCAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(C(C)=O)CC1)C(=O)O 61721702 JMBYNCTVQBVYKX-LBPRGKRZSA-N 397.453 0.728 0 40 GCAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 72260179 YNYXXKULEPXMGY-UHFFFAOYSA-N 376.461 0.528 0 40 GCAB Cn1nnc2c(N3CC(C(=O)Nc4ccc(N5CCOCC5)cc4)C3)ncnc21 96096762 NIEVUNZFVHWBTH-UHFFFAOYSA-N 394.439 0.670 0 40 GCAB CCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 96105481 JBFQSCDRFDKCIF-UHFFFAOYSA-N 380.445 0.978 0 40 GCAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)N1CCCCC1 97212420 DYWZBYVGYGCSNL-VBKZILBWSA-N 386.452 0.971 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 225678018 UYNOAPMKCBCKLW-HWKANZROSA-N 375.406 0.847 0 40 GCAB Nc1cc(-c2cncnc2[C@H]2CN(C(=O)CN3CCOCC3)CCO2)ccn1 257222215 DSKPBKGSNJKXGA-MRXNPFEDSA-N 384.440 0.353 0 40 GCAB CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)N=c3nc[nH]n3C)cc2n1C 585138313 DLLNVFCMGSZYTA-UHFFFAOYSA-N 398.832 0.755 0 40 GCAB CN(C)CCOc1ccc(CN2CC[C@@](O)(CN3CCN(C)CC3)C2)cc1 585272874 NGVSDHTZPXJYNS-OAQYLSRUSA-N 376.545 0.811 0 40 GCAB CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(c4nc(C)nc(N(C)C)n4)CC3)[C@@H]2C1 1615593019 XEYQFXVICKWDAH-CABCVRRESA-N 389.460 0.266 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2cnc(-c3ccncc3)s2)NC(=O)NC1=O 1616035271 XVOBNQVPPSJCLZ-QGZVFWFLSA-N 397.420 0.403 0 40 GCAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O 4084685 JXDKFZAYYKIQGO-JVLSTEMRSA-N 377.422 0.480 0 40 GCAB biogenic COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 8981069 OYAGXNFNSDAUMT-KRWDZBQOSA-N 391.449 0.706 0 40 GCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nn1 12141958 GGLKLUYHDJKNNK-AWEZNQCLSA-N 390.444 0.812 0 40 GCAB C[C@H](NC(=O)c1ccn(C)n1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366293 MBXITXRPDLQCKF-GOEBONIOSA-N 385.468 0.890 0 40 GCAB COc1cc(C(=O)NCCNC(=O)c2ccco2)cc(Cl)c1OCC(N)=O 12980406 MKAOZHCFMHGARB-UHFFFAOYSA-N 395.799 0.966 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)c1 13006463 BAOBHIMYLGTMRB-ZDUSSCGKSA-N 382.442 0.644 0 40 GCAB CC(=O)N[C@@]12CCN(CC(=O)Nc3ccc(F)cc3)C[C@@H]1CN(C(C)=O)C2 19713040 HGFBBMWCWFQYJN-DNVCBOLYSA-N 376.432 0.823 0 40 GCAB COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1Br 40157341 FNUUOXABVJTKTG-UHFFFAOYSA-N 377.216 0.356 0 40 GCAB CN1CCN(C[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)CC1 58156255 LAJLETNNRDFBQX-UGSOOPFHSA-N 382.411 0.340 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCCNc2nnnn2-c2ccccc2)C[C@@H](C)O1 84706441 BKSBNTABHBRYPV-BETUJISGSA-N 381.462 0.018 0 40 GCAB COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 89340112 HAZOCRYWYRKUBJ-ZDUSSCGKSA-N 392.499 0.099 0 40 GCAB Cc1cc(-c2noc(CNS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)n2)no1 253403044 PHBYLMVPBIEJCE-UHFFFAOYSA-N 391.365 0.956 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)NCCn1c(O)nc2ncccc2c1=O 575610034 SQWIBUOQOWIXIX-UHFFFAOYSA-N 394.384 0.623 0 40 GCAB O=C(NC[C@]1(O)CCN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1cnc[nH]1 585269637 FECTYMOVOKIXPG-IEBWSBKVSA-N 392.431 0.486 0 40 GCAB CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)Cc1ccc(F)cn1)C2 1614931581 DNIWPZAYOVLHBK-LJQANCHMSA-N 376.432 0.693 0 40 GCAB OC[C@H]1O[C@@H](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 1857795423 HSTZMXCBWJGKHG-OUUBHVDSSA-N 390.388 0.447 0 40 GCAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)N(C)C)C[C@H]4C3)ncn2)n1 2086896534 JXQBKORAYYAGGK-HUUCEWRRSA-N 391.501 0.454 0 40 GCAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1 2952165 OOEUKOHIKFALMJ-UHFFFAOYSA-N 380.408 0.219 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 3334697 GJHIMYTYXFYXEW-UHFFFAOYSA-N 397.478 0.215 0 40 GCAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 3531272 ODNIJZSDJRYCMK-KDOFPFPSSA-N 393.465 0.537 0 40 GCAB O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1 4016090 ICEOWLBUHPTLMA-UHFFFAOYSA-N 378.269 0.610 0 40 GCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCN1c1cccc(Cl)c1 5251949 WJJLBHIRNHLKIZ-UHFFFAOYSA-N 375.772 0.786 0 40 GCAB CCOCCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997694 DGBDVJVLAAVLLD-UHFFFAOYSA-N 390.483 0.766 0 40 GCAB O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(C[C@@H](O)CO)CC2)N1 12098599 UTCDFJSUOHRATF-XLIONFOSSA-N 375.469 0.653 0 40 GCAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12925775 BOOVBZWUGKNJPY-IUODEOHRSA-N 399.900 0.945 0 40 GCAB Cc1nonc1CN1CCN(CC(=O)N2CCC[C@H](c3csnn3)C2)CC1 19559167 BHJSLOJUCLUMCC-AWEZNQCLSA-N 391.501 0.753 0 40 GCAB CC(=O)N[C@@]12CN(C)CC[C@@H]1CN(S(=O)(=O)c1cn(CC(C)C)nc1C)C2 19713781 SFRYNSGBAFQMBJ-SJLPKXTDSA-N 397.545 0.678 0 40 GCAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 20674152 NRLWOXKVGZEQKF-ZDUSSCGKSA-N 383.408 0.979 0 40 GCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1=O 22900638 SOODGJWBNCBNNH-IBGZPJMESA-N 388.424 0.721 0 40 GCAB O=C(CN1CCC[C@@H]1Cc1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 25359314 OUJOHCWZALFGRM-HZPDHXFCSA-N 379.482 0.706 0 40 GCAB CCOC(=O)C1=C(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)NC(=O)NC1 32738470 RRODCGYBRNCOIR-UHFFFAOYSA-N 396.469 0.787 0 40 GCAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)s1 32914499 PRYPCTAPUUVCPG-UHFFFAOYSA-N 386.543 0.561 0 40 GCAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c12 36617020 JKRKWCCXIFUUFD-UHFFFAOYSA-N 377.470 0.872 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(c2nn3c(=O)cc(C)nc3s2)CC1 40039775 KZVNFQOAPCYQAN-UHFFFAOYSA-N 386.503 0.168 0 40 GCAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCN(C(=O)c2cnccn2)CC1 58178811 OMAFYQINPGRJCB-UHFFFAOYSA-N 396.432 0.600 0 40 GCAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12 72347050 ICZMTPIFUZIXAC-STQMWFEESA-N 384.440 0.726 0 40 GCAB O=C(CCCCCNc1ncccn1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 79501388 CIMMTOSOMIHXES-INIZCTEOSA-N 395.529 0.780 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 96025890 ANVISLBXIGKEPR-UHFFFAOYSA-N 390.531 0.519 0 40 GCAB NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101628395 UIRAGAILGNRDEH-VBQJREDUSA-N 398.463 0.973 0 40 GCAB CCCSc1nc(Cl)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 142456914 OPHFHASJVWECNO-YKDSUIRESA-N 389.865 0.421 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)CC1 253408493 YABXQIVPGSTLLI-INIZCTEOSA-N 377.470 0.807 0 40 GCAB CCOC(=O)c1cc(NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)n[nH]1 562655283 HWCDMSMEILTXFF-SNVBAGLBSA-N 379.394 1.150 0 40 GCAB CCn1ccnc1CN(C(=O)CN(C)C(=O)COC)[C@H]1CC12CCNCC2 573207934 VTUDHTXVVIDHMH-HNNXBMFYSA-N 377.489 0.479 0 40 GCAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c(CC(=O)O)c1 580190250 ITEJDJRIMUEWKV-SJKOYZFVSA-N 385.438 0.891 0 40 GCAB COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@H](CO)C3)CC2)c1 585283369 NUDOBWYWRZKVAK-SFHVURJKSA-N 391.512 0.799 0 40 GCAB Cn1c(=O)nc(O)c2c1nc1n2CCCN1CN1CCN(c2ccccc2)CC1 618255338 XWSDEZWMCOTHCS-UHFFFAOYSA-N 395.467 0.825 0 40 GCAB CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)CC1 2037916450 UAWUOVMMCWFTIG-OAQYLSRUSA-N 391.512 0.549 0 40 GCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)NC[C@@H]5CCCO5)C[C@H]4C3)nn12 2087023470 XGVLKOOTBNKBSJ-KFWWJZLASA-N 385.472 0.943 0 40 GCAB CO[C@@H]1[C@H](OC(C)=O)[C@H](n2cnc3c(=S)nc[nH]c32)O[C@@H]1COC(C)=O 4963111 WXKATFNIWVHVSU-CKRXIKOQSA-N 382.398 0.896 0 40 GCAB CCS[C@@H]1[C@@H](OC(C)=O)[C@H]([C@@H](COC(C)=O)OC(C)=O)O[C@@H]1OC(C)=O 5120800 STZCNEXTAMKTRZ-CWVYHPPDSA-N 392.426 0.823 0 40 GCAB COC(=O)c1ccc2c(=O)n(C[C@@H](C)O)c(S[C@@H]3CCOC3=O)nc2c1 6003370 QIMXIQWEOWLYRH-NOZJJQNGSA-N 378.406 0.972 0 40 GCAB COc1cc2c(cc1NS(C)(=O)=O)c(C(=O)O)c(C)n2S(C)(=O)=O 6142930 ZWSSUMMBJMJFQJ-UHFFFAOYSA-N 376.412 0.836 0 40 GCAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 6659021 WNQBCCHFIICLDQ-DOMZBBRYSA-N 393.415 0.910 0 40 GCAB COc1cccc(NCCN2N=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 10108777 OULXWZLORJBNGF-UHFFFAOYSA-N 397.439 0.750 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024765 GHFGMGHRBJKKNY-IBWPGLOJSA-N 388.399 0.222 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccno2)CC1 19573797 QRQCZNCRJGHMDH-UHFFFAOYSA-N 376.398 0.536 0 40 GCAB C[C@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NC(=O)NC1CC1 22520665 FRFZSXCYGSOZPM-JTQLQIEISA-N 375.381 0.870 0 40 GCAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCOCC1 33028081 PLFQRBZUIWIWQO-UHFFFAOYSA-N 389.452 0.699 0 40 GCAB O=C(CN1CCS(=O)(=O)CC1)NCc1cc(Br)ccc1F 52514723 MVDMRNHNPCUUFJ-UHFFFAOYSA-N 379.251 0.935 0 40 GCAB Cc1nc(S(=O)(=O)NCC(=O)NCc2ccccc2CN(C)C)cn1C 58344026 UBYBLAOFOWPQRX-UHFFFAOYSA-N 379.486 0.385 0 40 GCAB O=C1NCCc2ccc(S(=O)(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)cc21 95436049 CFSCCIZAOLBWTM-QAPCUYQASA-N 390.461 0.735 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2c(COC)nc3ccccc32)CCN1C(C)C 257214599 CMPIJHWOGLNLQA-KRWDZBQOSA-N 387.484 0.850 0 40 GCAB CCn1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2S(C)(=O)=O)cn1 585138449 RGAVONHFMYBESB-UHFFFAOYSA-N 387.439 0.894 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)C1(F)CCC1)C2 1565544268 HHUNXJNWERXGFN-KRWDZBQOSA-N 377.420 0.479 0 40 GCAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)CCS(C)(=O)=O)C2 1565553866 LXCWTVHCFIJRGF-UHFFFAOYSA-N 383.470 0.644 0 40 GCAB Cn1ncc2c(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ncnc21 1889152059 KVGXFOUPCMDSOB-UHFFFAOYSA-N 381.444 0.317 0 40 GCAB COc1cccc(OC)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O 2029386 RJQXTJLFIWVMTO-ZOWXZIJZSA-N 380.422 0.949 0 40 GCAB CC(=O)NCCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 4906473 FDZOQFPBTQKALM-UONOGXRCSA-N 396.494 0.233 0 40 GCAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccccc2NCCO)CC1 5278357 ZXYGSZMASIMTBW-UHFFFAOYSA-N 379.413 0.548 0 40 GCAB COc1cccc(-c2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2C)c1 6873177 GVMDQLMXNSWHIE-LBPRGKRZSA-N 396.494 0.886 0 40 GCAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(=O)[nH]c(=O)[nH]1 8185920 ZCVCEEWUQMXLED-UHFFFAOYSA-N 392.437 0.880 0 40 GCAB CC(=O)NCCc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8459681 AQLBPIAOTWHOMH-LBPRGKRZSA-N 397.435 0.556 0 40 GCAB Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 16097505 QJQQJVJVAUDVRD-JTQLQIEISA-N 396.498 0.789 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O 19526954 CEONYOGCFGHFNX-HZPDHXFCSA-N 399.495 0.956 0 40 GCAB CS(=O)(=O)N1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)CC1 29825363 GCPNRXRQUCNYMF-CQSZACIVSA-N 386.449 0.465 0 40 GCAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N1CCNC1=O 58006994 KFWBCQUVDWYUIH-ZETCQYMHSA-N 375.790 0.085 0 40 GCAB O=C(Cn1cnnn1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999107 QMWBSHBBXNZLRZ-AWEZNQCLSA-N 376.442 0.057 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100928541 ORPWLMJRWWIUFM-UQXKVLDMSA-N 389.433 0.468 0 40 GCAB NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@H](C(=O)O)C2)c1 583650546 HJTMOFGRKOYBJT-JTQLQIEISA-N 393.215 0.022 0 40 GCAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CCOCC2)n1 604382202 KQKLOKVTZWJTCP-NCXUSEDFSA-N 379.501 0.582 0 40 GCAB biogenic,in-vitro CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1)CC2 644456894 YOHHTXJPIOZTAL-LIRRHRJNSA-N 392.504 0.731 0 40 GCAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 983597 RZFHTCUWHKDFKG-UHFFFAOYSA-N 397.497 0.724 0 40 GCAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 6322516 UYDAXVASLJULBW-UHFFFAOYSA-N 397.497 0.866 0 40 GCAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NCC(F)(F)F 7219957 CRHDSPIMNFDNFP-UHFFFAOYSA-N 399.416 0.873 0 40 GCAB O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 8036369 LPDPEJDEXGPBPZ-INIZCTEOSA-N 396.465 0.860 0 40 GCAB COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 8657300 WPXDIYVNASEAQO-NSHDSACASA-N 398.423 0.178 0 40 GCAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCN(C(C)=O)C3)nc2NC)C1 19752840 GSHGXGSGKJLJFI-ZDUSSCGKSA-N 381.502 0.952 0 40 GCAB CNC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)cc1 22760005 OEQQNWLAPSQVHE-KRWDZBQOSA-N 387.461 0.908 0 40 GCAB Cn1cc(C(=O)NC2CCN(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cn1 48131852 OULUUJNYDWFHDO-UHFFFAOYSA-N 395.427 0.822 0 40 GCAB Cc1c([C@H]2C[C@@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C 72335092 NLBSOYLOSOSANV-KGLIPLIRSA-N 383.499 0.686 0 40 GCAB CC[C@@H](c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)[C@@H](C)CNC 77287255 NZXQRBQRSILIIJ-WDRIRZBNSA-N 383.441 0.307 0 40 GCAB in-vitro CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCOC[C@H]2c2ncnn2C)c1 578088403 WCFRHKHHXRXWQD-AWEZNQCLSA-N 394.457 0.671 0 40 GCAB C[C@@H]1CCN(C[C@H]2CC3(CCN(C(=O)c4ncnn4C)CC3)CO2)C[C@H]1O 585105095 XVJGXDOWKUQZPF-BZUAXINKSA-N 377.489 0.529 0 40 GCAB COc1cccc2c1OC[C@H](NC(=O)N1C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C1)C2 663969424 BTEFEGXZWJLFNG-CLWVCHIJSA-N 396.465 0.452 0 40 GCAB CCOC(=O)[C@@](C)(O)c1sc(CCO)c(C)[n+]1Cc1cnc(C)[nH]c1=N 1857793635 LVJUXAQUKVJZEK-KRWDZBQOSA-N 381.478 0.209 0 40 GCAB Cn1cnc2c(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ncnc21 1889152078 ZHFNHCDIAMTKPF-UHFFFAOYSA-N 381.444 0.317 0 40 GCAB Cn1c(=O)c2c(nc(SCC(=O)NCCc3ccccc3)n2C)n(C)c1=O 1222734 XIHVMASTFUMQFD-UHFFFAOYSA-N 387.465 0.422 0 40 GCAB C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 3874843 RIRGCFBBHQEQQH-SLAFLTGZSA-N 385.424 0.481 0 40 GCAB CCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C 4103319 NFLRGTQMUJLXAW-UHFFFAOYSA-N 392.441 0.871 0 40 GCAB COc1ccc(OC)c([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 4495870 ZYGQXLVTSQSCCF-ZDUSSCGKSA-N 385.376 0.470 0 40 GCAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCN(C)C)c1=O)COC(C)(C)C3 6759847 JGHNUEJXDVVYNB-UHFFFAOYSA-N 395.481 0.811 0 40 GCAB NC(=O)Cc1csc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)n1 12887848 GLMZGXPAGOIULX-UHFFFAOYSA-N 393.450 0.238 0 40 GCAB COc1cccc(Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 13509716 OUTJVWZWGOSYKI-UHFFFAOYSA-N 385.424 0.327 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)c1ccc([C@H]2CCCN(S(C)(=O)=O)C2)nc1 19706014 AOYGOCGVESHFKJ-AWEZNQCLSA-N 394.497 0.571 0 40 GCAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 19759263 UIXSMXLSGKBGDR-HNNXBMFYSA-N 396.517 0.974 0 40 GCAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 20181974 HFYUUCVTIVNPTB-UHFFFAOYSA-N 381.498 0.986 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CSc2nccc(C(F)(F)F)n2)CC1 22614605 FLQKYUYEKLVTMU-UHFFFAOYSA-N 384.405 0.691 0 40 GCAB O=C(NC1CC1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 44901514 CYRATPVXURXKQQ-CYBMUJFWSA-N 393.465 0.339 0 40 GCAB CCNC(=O)CCNS(=O)(=O)c1cc(N(C)S(C)(=O)=O)c(C)cc1C 95116981 MJDDOHLBKNCXJI-UHFFFAOYSA-N 391.515 0.504 0 40 GCAB Cn1nc(CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c2c1CCOC2 96104041 XGQMXLXYBLCWRH-UHFFFAOYSA-N 378.410 0.416 0 40 GCAB O=C1CN([C@@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@H]1CCS(=O)(=O)C1 242750288 ZKEJCZHFVAOYCE-OLZOCXBDSA-N 384.479 0.214 0 40 GCAB O=C(c1cccc(O)c1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306126536 DYPKJVWISVJFPB-CQSZACIVSA-N 389.433 0.891 0 40 GCAB Cc1cnc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 306141219 VOOCXMSYWUPVKR-KGLIPLIRSA-N 382.424 0.173 0 40 GCAB Cc1cnc(OC(C)C)c(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c1 626575788 QEIHZGFQUSSJIR-ZDUSSCGKSA-N 386.474 0.959 0 40 GCAB O=C(CCc1cncnc1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565543077 RUWMZCHNQXBWBS-OXJNMPFZSA-N 381.436 0.848 0 40 GCAB CC(C)CNC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)[C@H]3CCOC3)C1)OC2 1565553166 MPAYKZUURXSDSK-UGSOOPFHSA-N 377.445 0.202 0 40 GCAB COc1cc(C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)on1 1614939448 RAMNEBRDUMWPPY-KRWDZBQOSA-N 375.385 0.221 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-c3ccccn3)nc2)NC(=O)NC1=O 1616034894 CVLQHVUYABVVNW-LJQANCHMSA-N 391.391 0.342 0 40 GCAB O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(C(F)(F)F)ccc1=O 1888947693 AQRXLRPMZCQTTB-UHFFFAOYSA-N 382.298 0.986 0 40 GCAB Cc1ccc(NC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)cc1C 3340120 QEEPLBFBTABQPU-UHFFFAOYSA-N 390.421 0.755 0 40 GCAB CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 5706977 FHIFMGIEEFWNFK-LRDDRELGSA-N 379.413 0.645 0 40 GCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NC[C@H](C)O)c2cc(Br)ccc21 9184103 IMKPOKLMVZNCMW-UFBFGSQYSA-N 384.230 0.470 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 10753474 YRQCBKPBTJQZTR-CQSZACIVSA-N 398.437 0.501 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 12131438 ZVGBSONLTFAWRK-IRXDYDNUSA-N 391.497 0.667 0 40 GCAB NC(=O)CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15956798 HSQVISLGEAFQOG-FKRHRZSBSA-N 396.447 0.615 0 40 GCAB biogenic O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 21890921 IXPLXWMMESDEMY-UHFFFAOYSA-N 387.889 0.505 0 40 GCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3cccnc3)CC2)O1 96263036 SLNDKWLTGKJNKO-AWEZNQCLSA-N 391.453 0.103 0 40 GCAB COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C[C@H]1[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12 104194534 DFPQFFFHZUYNTL-GGSRLSIISA-N 378.377 0.944 0 40 GCAB CCOC(=O)Nc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1OC 408586200 MMHPDMLAAFRFRZ-UHFFFAOYSA-N 387.458 0.874 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C 408617863 DSAGNGXHJUXTTJ-ZDUSSCGKSA-N 397.497 0.784 0 40 GCAB CNC(=O)COc1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c(C)c1 656603482 KPGVYQZQBHODSZ-KZULUSFZSA-N 377.397 0.685 0 40 GCAB C[C@H](O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 4370896 DTFSIZNPCYRTBY-ZDUSSCGKSA-N 384.440 0.131 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 9051550 IMUPONDIHPTVQR-UWVGGRQHSA-N 389.503 0.119 0 40 GCAB CCOC(=O)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851866 PQIBAGFPPAAPKO-UHFFFAOYSA-N 395.423 0.481 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)[C@@H]2CCCO2)CC1 12118875 WZSPSXCHYZGMHL-LBPRGKRZSA-N 379.442 0.413 0 40 GCAB CCn1cc(CN2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c(C)n1 19524569 QEKVTAMAHMFJOQ-UHFFFAOYSA-N 376.461 0.186 0 40 GCAB CN1CCN(c2cc(CCNS(=O)(=O)N3CCCC3)nc(C3CC3)n2)CC1 19590093 DLCKKYVYOCWSIO-UHFFFAOYSA-N 394.545 0.579 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 21140103 OMHCVMJPGCEPFM-UHFFFAOYSA-N 384.436 0.857 0 40 GCAB C[C@H](CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)NC(=O)c1ccccc1 23298694 OCLPQCDUQAKKBK-QGZVFWFLSA-N 386.496 0.962 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccn3)CC2)cc1OC 27106675 LYGBFSNYHZJZCD-UHFFFAOYSA-N 394.453 0.433 0 40 GCAB CCN(CC)C(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 32770263 HNEGKWHOQBPRHW-UHFFFAOYSA-N 393.532 0.931 0 40 GCAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCNC1=O 32776232 SPCJWQOPMHYZAH-JTQLQIEISA-N 381.410 0.224 0 40 GCAB NC(=O)Cc1csc(NC(=O)CCNS(=O)(=O)c2ccccc2F)n1 32882512 ISGVUYXAVGTUMI-UHFFFAOYSA-N 386.430 0.617 0 40 GCAB C[C@@H](C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)n1cncn1 58228059 KCUCVTOLKJFPQQ-ZDUSSCGKSA-N 376.848 0.958 0 40 GCAB CN(C)S(=O)(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96024234 FGWNLKDBUSXYSY-UHFFFAOYSA-N 379.486 0.388 0 40 GCAB CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 227027995 JAMUNSUIXBIERM-ZQDZILKHSA-N 391.442 0.829 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cnccn2)C3)n1 306130898 JSGLUIMYIKZHQR-CYBMUJFWSA-N 389.437 0.283 0 40 GCAB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4cnc[nH]4)C3)C2)cc1 604381844 RIZXRLSDYXQNNZ-GOSISDBHSA-N 397.479 0.830 0 40 GCAB biogenic,in-vitro CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@@H](c1ccccc1)C(F)F 626572680 SZXKRHAYCWNODB-STQMWFEESA-N 377.413 0.952 0 40 GCAB Cn1cnnc1[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1558164474 GQWFJJBLKXKERD-JSGCOSHPSA-N 385.428 0.322 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 801254 WNLDBKFFTXFHEQ-UHFFFAOYSA-N 383.470 0.476 0 40 GCAB CNC(=O)[C@@]12Cc3c(cc4c(c3OC)OCO4)C[C@@H]1N(C)C(=O)N(C)C2=O 2126223 FRMXGMRPOFLXDY-KPZWWZAWSA-N 375.381 0.147 0 40 GCAB biogenic Cc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(N)c1=O 3329097 BFFUQMUFSKWYEU-GFCCVEGCSA-N 390.469 0.616 0 40 GCAB C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO 3882038 GFNANZIMVAIWHM-HXPQYVNSSA-N 394.439 0.621 0 40 GCAB in-vitro CCn1c(SCC(=O)Nc2nccs2)nc2c1c(=O)n(C)c(=O)n2C 6198437 GUXDHFSRUDGANJ-UHFFFAOYSA-N 380.455 0.641 0 40 GCAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 6384605 VRUNEYIBNMGAHC-UHFFFAOYSA-N 397.453 0.862 0 40 GCAB CN(C(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O)[C@H]1CCS(=O)(=O)C1 6660567 JBJLBDQCNLJPKF-QVIVLVACSA-N 384.435 0.961 0 40 GCAB Cc1cc(C)cc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 9156902 XDYVNQPJJUSVRI-ZDUSSCGKSA-N 396.451 0.787 0 40 GCAB COc1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12551351 RPDYFAZWEJHBOQ-MRXNPFEDSA-N 399.451 0.956 0 40 GCAB CS(=O)(=O)NC1CCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 12812430 KRKMLPHXUOCPAS-UHFFFAOYSA-N 394.497 0.766 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2)n(C)c1=O 13533704 RENANGAAHUXIBB-UHFFFAOYSA-N 399.407 0.620 0 40 GCAB C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H](C)O1 14197724 YWSJDJYVOUJMKN-GHMZBOCLSA-N 397.544 0.442 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cnn(C)c2-n2cccc2)C[C@H](C)O1 29185475 OGLCXTVXKASKNT-KBPBESRZSA-N 395.485 0.380 0 40 GCAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)CS2 90609559 RGARBFUBHXCFCA-ZDUSSCGKSA-N 388.449 0.851 0 40 GCAB COC(=O)[C@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1OC 95941991 YHBUHXSSQYRQQI-GFCCVEGCSA-N 382.232 0.660 0 40 GCAB CCOC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 96231267 RHJZGFBFWXIRQT-HNNXBMFYSA-N 388.424 0.798 0 40 GCAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)CN3CCOCC3)ccnc12 257315436 VBJBJBGFLDYENH-OAHLLOKOSA-N 386.456 0.475 0 40 GCAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 574355244 MQPNFLSKGIAQCR-GOSISDBHSA-N 382.468 0.954 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1c1ncc(F)cn1 1565523236 IKTWWHNJRCQUFY-UHFFFAOYSA-N 394.384 0.424 0 40 GCAB COCC1(S(=O)(=O)N2C[C@@H](C(=O)NC3CC3)[C@H](c3cn(C)cn3)C2)CC1 1614995991 SHYAZKUBUMDBOU-ZIAGYGMSSA-N 382.486 0.223 0 40 GCAB COc1cc(C(=O)N2CCCN(C)CC2)ccc1OCC(=O)N1CCOCC1 3425260 GPCDUIUTZTWJIH-UHFFFAOYSA-N 391.468 0.711 0 40 GCAB COC(CNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)OC 4193516 KGQALWPHEDRXSD-CHWSQXEVSA-N 399.494 0.716 0 40 GCAB CNC(=O)CCNS(=O)(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1C 5554093 RCBYJIUMRYJWBQ-UHFFFAOYSA-N 377.488 0.114 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@H]1C 5812084 CYXWKOLGGKGNDJ-VIFPVBQESA-N 381.410 0.540 0 40 GCAB CN(C)CCCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6832173 IBHFQUWFGUGTIM-UHFFFAOYSA-N 386.543 0.946 0 40 GCAB Cc1cccc(OCCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 8778838 BKCZIGUKPRWUDF-UHFFFAOYSA-N 385.424 0.327 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2ccc[nH]2)[C@H](C)O)cc1 9724138 AJMVEGGDIKIXIA-BLLLJJGKSA-N 380.422 0.777 0 40 GCAB C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NCc1ccccc1 12985789 SZXLEJSLUWDRPQ-CYBMUJFWSA-N 389.433 0.732 0 40 GCAB Cn1nnc2c(N3CCN(CC(=O)NCc4ccc(F)cc4)CC3)ncnc21 13533856 OUFOOZNCSGEKPI-UHFFFAOYSA-N 384.419 0.336 0 40 GCAB C[C@]1(C2CC2)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 14198292 GMDAKUJTEKBPQA-GOSISDBHSA-N 393.465 0.928 0 40 GCAB Cn1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 17079242 HBLOJSVIZRGKLI-CRWXNKLISA-N 388.380 0.760 0 40 GCAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 20032264 UKNHDQNNILCZPA-CYBMUJFWSA-N 389.499 0.012 0 40 GCAB COCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768854 GJNYCBPUEWJPLS-UHFFFAOYSA-N 383.470 0.240 0 40 GCAB CN1CCN([C@@H]2[C@@H](O)[C@H](NCc3cnc4ccccc4c3)[C@H]3CO[C@@H]2O3)CC1 22920754 QQEIZCXKPWBDFH-SSSFQFABSA-N 384.480 0.425 0 40 GCAB biogenic,in-vitro CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 23994317 VWWVRRAOSBGQAM-OAHLLOKOSA-N 388.511 0.911 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 25029008 KPLGDIKOKLTQIN-LSDHHAIUSA-N 389.408 0.308 0 40 GCAB O=C(CCn1cncn1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 32706219 JTBHEACWVAZMEC-UHFFFAOYSA-N 393.469 0.147 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 44848539 WSHVEIVSVUWULJ-OAHLLOKOSA-N 398.504 0.993 0 40 GCAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)on1 48276351 PYHWIRBKQWYUOS-MJBXVCDLSA-N 381.454 0.682 0 40 GCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)N1 54535449 SBZWMMUKHRQDRM-UHFFFAOYSA-N 388.243 0.812 0 40 GCAB CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cscn3)CC2)O1 96263150 YPMIYENRTIQLOA-ZDUSSCGKSA-N 375.454 0.958 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206910725 QCGYTFAMCQSKKJ-UHFFFAOYSA-N 390.429 0.173 0 40 GCAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)cc1 225387922 YJVVMIXBMUEYSJ-MJGOQNOKSA-N 399.491 0.996 0 40 GCAB biogenic,in-vitro CCn1cc(C(=O)NCc2nnc3c(O)nccn23)c(=O)c2ccc(C)nc21 244998730 KRBXKRMJVYQDOO-UHFFFAOYSA-N 379.380 0.798 0 40 GCAB CCCCCCC1=C(CC(=O)O)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)C1=O 253398920 HVNIEXYPCXLFHA-ZDUSSCGKSA-N 396.444 0.813 0 40 GCAB biogenic,in-vitro COc1ccc(CC(=O)N2C[C@H]3C[C@H]4[C@@](C2)(CN(C)S4(=O)=O)O3)cc1F 1565549769 CARSKZIFUZZIIG-PVUWLOKVSA-N 384.429 0.391 0 40 GCAB COc1ccc(OCCCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4243063 IKKKXIYJXZWFJV-CYBMUJFWSA-N 385.438 0.701 0 40 GCAB NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1 4659664 FQRISNAASLFCRT-UHFFFAOYSA-N 379.394 0.112 0 40 GCAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 6678315 DNFFJVCGEQEHKV-LLVKDONJSA-N 375.429 0.770 0 40 GCAB CCCn1c(=O)n(CC(=O)NCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6764351 QTOCLUYWZOPCNX-UHFFFAOYSA-N 395.481 0.595 0 40 GCAB O=C(Cn1cnc2sccc2c1=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8341272 ULTHUQVLNQGHGS-ZDUSSCGKSA-N 376.438 0.308 0 40 GCAB CN(C)C(=O)CN1C(=S)N(c2ccc(F)cc2F)[C@@H]2CS(=O)(=O)C[C@H]21 8993471 ORBAPJAJRKTUMZ-CHWSQXEVSA-N 389.449 0.626 0 40 GCAB Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(C)c1S(=O)(=O)N1CCOCC1 9607707 UEAWDXMPZZCXOB-ZDUSSCGKSA-N 384.502 0.779 0 40 GCAB CN(C)CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)C1CCN(C)CC1 12360972 XADADAJSLQEGPV-UHFFFAOYSA-N 385.512 0.960 0 40 GCAB CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 12733754 HSLNCQSLQHXUMI-HNNXBMFYSA-N 396.446 0.532 0 40 GCAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCN(c2ccccn2)CC1 12981605 STOFVEIFBWOBDA-UHFFFAOYSA-N 399.842 0.826 0 40 GCAB CC(C)CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 22357007 QKTSLSQVPWEWMC-UHFFFAOYSA-N 396.513 0.797 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 23111109 GFXRCUUZUFTWQX-UHFFFAOYSA-N 396.444 0.466 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)cnc21 23131502 DZAHYYLINYUKAJ-OAHLLOKOSA-N 380.408 0.760 0 40 GCAB CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccc(F)cc1 25587295 WVZGXAJXLJEUIQ-UHFFFAOYSA-N 383.445 0.527 0 40 GCAB CN1CCN(c2cc(OCCNS(=O)(=O)c3ccc(F)cc3)ncn2)CC1 35598400 DNVAZCRTSWKSBW-UHFFFAOYSA-N 395.460 0.725 0 40 GCAB CN(C)[C@H](CNC(=O)c1nc(CC(=O)N2CCOCC2)no1)c1ccccc1 44893940 XYXDOPFGAJEVQH-OAHLLOKOSA-N 387.440 0.504 0 40 GCAB C[C@H](O)Cn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56966682 PCQNZSLEWKSLAQ-AWEZNQCLSA-N 398.467 0.126 0 40 GCAB Cc1cc(C)nc(N2CCC(C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)n1 79481466 FQZOLSIKRONCJZ-UHFFFAOYSA-N 381.502 0.414 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)CC1 408606897 PHRNZWJEXJQGHR-CYBMUJFWSA-N 399.469 0.663 0 40 GCAB N[C@H](CCC(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1)C(=O)O 585285867 SSVHWMCOYCFWJG-UOSKARGWSA-N 389.452 0.409 0 40 GCAB CCn1cc(CC(=O)N[C@]23CCC[C@H]2N(c2nc(C)nc(N(C)C)n2)CC3)nn1 1615612405 YDLMOOQPBZZAFM-BEFAXECRSA-N 399.503 0.718 0 40 GCAB CN(C(=O)c1ccnn1C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775973463 CVXSEYMKQCKYPK-UHFFFAOYSA-N 389.423 0.881 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4cc(=O)n(C)cn4)CC3)n2)n1 1776000983 SMHPRBGBDJDORT-UHFFFAOYSA-N 381.440 0.981 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)C5CC5)C[C@H]4C3)ncnc21 1888901089 GCKOCERJLAQKFR-BETUJISGSA-N 392.485 0.333 0 40 GCAB CCCNC(=O)N[C@@H]1C[C@H](C(=O)NCCOC)[C@@H](O)[C@H]1c1cnc(C(C)C)[nH]1 2332241924 JOIGOBDINMAXPW-SJXGUFTOSA-N 395.504 0.838 0 40 GCAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CCS(=O)(=O)C1 3376646 SKAJDLBNFSVCJF-CYBMUJFWSA-N 380.422 0.274 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O 4250614 LJICOUBBJBFGDC-UHFFFAOYSA-N 397.391 0.629 0 40 GCAB O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)NC[C@H]1CCCO1 4341817 ZSLTXIUJGOMMNJ-CYBMUJFWSA-N 388.815 0.926 0 40 GCAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)O 4899824 PYRIIPBSDFLGNG-JSGCOSHPSA-N 377.397 0.493 0 40 GCAB COc1ccc2[nH]c(SCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1 9642732 INWLHSHKIJVEQE-SECBINFHSA-N 398.466 0.677 0 40 GCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H](O)C3)CC2)Nc2ccccc21 12085626 WLBSWRSNQXUBDR-XOBRGWDASA-N 386.452 0.534 0 40 GCAB CCn1ncc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C 12239086 VGYWMWPBFJPKSA-UHFFFAOYSA-N 383.518 0.706 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCc2nnc(-c3ccccc3)o2)n(C)c1=O 15181566 UVJNLDZBWJEIOD-UHFFFAOYSA-N 396.363 0.227 0 40 GCAB O=C1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CN1CCc1ccccc1 16698923 VJEHJWURFRLBFQ-OALUTQOASA-N 399.491 0.927 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncccc2C(=O)N2CCOCC2)C1 19709375 TYRYHRWYSHWYFD-CQSZACIVSA-N 382.486 0.540 0 40 GCAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCN4CCC[C@H]4C3)ccc2=O)no1 19750956 WGYMOXRIZUTIQQ-HNNXBMFYSA-N 385.424 0.704 0 40 GCAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCCN3CCOCC3)C2=O)cc1 20292889 SUZGAHITZPVILV-DTQAZKPQSA-N 388.424 0.474 0 40 GCAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccccc1 20465860 PDIRINRZFPENPZ-FUMNGEBKSA-N 385.464 0.475 0 40 GCAB biogenic,in-vitro O=c1oc(-c2ccc(F)cc2)nn1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 22934464 JGUBCLLLUPRLHH-HNNXBMFYSA-N 396.444 0.405 0 40 GCAB CC(C)C(=O)NCCNC(=O)c1cccc(C(=O)NCCNC(=O)C(C)C)n1 31834897 GQBHEFSTDMDTOJ-UHFFFAOYSA-N 391.472 0.086 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nncs1 36353329 FTMDJQJSLJHRNF-NSHDSACASA-N 381.439 0.056 0 40 GCAB CNC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)NC)C(=O)C[C@]1(C)O 36556744 VVHUDXYAOJMQET-ZJOBFFGXSA-N 397.269 0.981 0 40 GCAB O=C1CN(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C(=O)N1 40086566 SWLKRARIUYQIIO-MRVPVSSYSA-N 381.186 0.385 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N1CCc2nc3ccccn3c(=O)c2C1 225777033 ZBGKKARKWLMNKN-UHFFFAOYSA-N 387.399 0.989 0 40 GCAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(I)cc1 225962351 GXXQPKYRZXESGY-UHFFFAOYSA-N 397.238 0.968 0 40 GCAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(CC(=O)O)c1 580190248 ITEJDJRIMUEWKV-PXAZEXFGSA-N 385.438 0.891 0 40 GCAB CC(C)N1CCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)CC1 585285734 SJVBIRKVNODSOO-UNMCSNQZSA-N 389.540 0.970 0 40 GCAB CCc1cc(N2CCC(NC(=O)N3C[C@@H](O)C[C@@H](C(=O)OC)C3)CC2)ncn1 591974921 FCXDUFJSBSDTMP-CJNGLKHVSA-N 391.472 0.573 0 40 GCAB CC(C)CN1[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2OCCS1(=O)=O 1534645939 WOWGSQFHJJVDIM-OLZOCXBDSA-N 394.540 0.808 0 40 GCAB CCCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n[nH]c1=O 8937857 KAMXPWCZSFNOEA-LBPRGKRZSA-N 390.531 0.745 0 40 GCAB C[C@H]1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C[C@H](C)O1 21821949 VQNYSBSTVTZCST-KBPBESRZSA-N 386.452 0.469 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)ncnc21 21999048 TYQARSIPWOWERO-INIZCTEOSA-N 380.408 0.852 0 40 GCAB COCCn1nc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)ccc1=O 24702518 OLVCDGGHESLUEW-UHFFFAOYSA-N 385.424 0.776 0 40 GCAB CS(=O)(=O)N1CCCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 24780654 BLLHXJYMVUPDLR-UHFFFAOYSA-N 379.442 0.558 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 31810606 GIQJVMQFTGKJLX-GFCCVEGCSA-N 392.437 0.411 0 40 GCAB CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 32945131 YCEBKEUOKMNDHQ-UHFFFAOYSA-N 398.437 0.148 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cc1 40150776 LSIUBBDDJOBIPO-UHFFFAOYSA-N 391.449 0.839 0 40 GCAB NC(=O)C1CCN(CCCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 40553791 DZBVREOJDSUBAX-UHFFFAOYSA-N 383.474 0.043 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NC1CCCCC1 49410613 JYTPEXZOMQWUSG-UHFFFAOYSA-N 383.470 0.318 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 57730081 QUYYIIQREYRZKF-JTQLQIEISA-N 375.414 0.271 0 40 GCAB COc1ccc(S(=O)(=O)c2cnc(N3CCC(C(N)=O)CC3)nc2N)cc1 71772032 AKPUOFOEYCWBJB-UHFFFAOYSA-N 391.453 0.602 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 72335159 JDKVDNFYOFYKKM-HZPDHXFCSA-N 395.460 0.764 0 40 GCAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(S(=O)(=O)C1CC1)C2 96077230 ZAWGPOLNWPEOCL-GOSISDBHSA-N 377.466 0.818 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 105352607 IXUGXRFAPZBLMB-HJOKXZNTSA-N 375.400 0.725 0 40 GCAB CC(=O)Nc1ccc(C(=O)N2CCC[C@](O)(CN3CCN(C)CC3)CC2)cn1 257220401 DKRCOEDOSQHXTH-HXUWFJFHSA-N 389.500 0.645 0 40 GCAB CN(C)C(=O)N1CCC2(CC1)c1nnc(C(=O)NC3CCC3)n1CCN2C 306134518 NPVJZBOLJFMEFZ-UHFFFAOYSA-N 375.477 0.479 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565549383 VXKMGSNPRJVCPI-OHWFHFMLSA-N 385.464 0.938 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)o2)c(=O)n(C)c1=O 3333267 NLNRYCUELFQZHV-UHFFFAOYSA-N 386.158 0.061 0 40 GCAB O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)N1 6759630 MRPHIBIGVWONBW-RYUDHWBXSA-N 377.422 0.576 0 40 GCAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1cnc2c1c(=O)n(C)c(=O)n2C 8011959 VIYSNYZSHJDQJK-JTQLQIEISA-N 385.380 0.405 0 40 GCAB Cc1ccc(OCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12784682 CSOZPVFOVKZIDX-AWEZNQCLSA-N 393.465 0.656 0 40 GCAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)cc1 13014478 SYHFYOGPKUUNGA-UHFFFAOYSA-N 383.408 0.744 0 40 GCAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2CCOCC2)c(=O)[nH]c1=O 16446393 KJKOFFNOTZMYSD-UHFFFAOYSA-N 381.477 0.240 0 40 GCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1cccc(Cl)c1 22810753 XLZAFRLKRSLBEA-UHFFFAOYSA-N 378.904 0.895 0 40 GCAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 24491045 LEILCPMBNKHQPQ-OKILXGFUSA-N 379.482 0.925 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N3CCNC3=O)CC2)cc1 25061583 QQWYABTYMKAFLO-HNNXBMFYSA-N 394.497 0.632 0 40 GCAB C[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32778303 KDCVGBIUQUGYGH-CYBMUJFWSA-N 395.481 0.238 0 40 GCAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 80357165 QKSREAAMPXRPOC-ZJUUUORDSA-N 398.466 0.681 0 40 GCAB Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(S(=O)(=O)C2CC2)C1 96244619 MZHFKCJKKAIPAR-SFHVURJKSA-N 394.497 0.588 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 105352609 IXUGXRFAPZBLMB-KFXYWLKISA-N 375.400 0.725 0 40 GCAB COCCN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(C(=O)c2ccc(OC)cc2)CC1 107180121 WHIIECUFTKAPKV-ZWKOTPCHSA-N 387.480 0.994 0 40 GCAB COCCN1C[C@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585105020 YTXVUJSLKQIPNW-IBGZPJMESA-N 396.509 0.787 0 40 GCAB CC(=O)N1CCC(O)(CNC[C@]2(O)CCN(c3ccnc4cccnc34)C2)CC1 585282556 GSNPQHXJBQDLOX-OAQYLSRUSA-N 399.495 0.534 0 40 GCAB CC(=O)OC[C@]1(CC(=O)N2CCOCC2)CCCN1C(=O)Cc1cc(C)no1 643586976 NTNYOMPMKVCWDO-LJQANCHMSA-N 393.440 0.699 0 40 GCAB COC1(CNS(=O)(=O)c2c(C)noc2C)CCN(S(C)(=O)=O)CC1 1889211622 KFMTYPMJZWPHIU-UHFFFAOYSA-N 381.476 0.010 0 40 GCAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 2055794306 DWHGHRFUGMGVCG-FXAWDEMLSA-N 386.452 0.981 0 40 GCAB Cc1cc(CN2CCO[C@@]3(CO[C@H](C(=O)NCCCn4ccnc4)C3)C2)n[nH]1 2056226104 KLXZRTMYQXPCDC-PKOBYXMFSA-N 388.472 0.481 0 40 GCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)NC[C@H]5CCCO5)C[C@H]4C3)nn12 2087023472 XGVLKOOTBNKBSJ-RBSFLKMASA-N 385.472 0.943 0 40 GCAB COCCNC(=O)[C@H]1C[C@@H](NC2CCOCC2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241923 JKUAABFAWAPLKD-BURFUSLBSA-N 394.516 0.897 0 40 GCAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NC(=O)NCc1ccco1 4493084 YDIWCKPIYAHTRK-UHFFFAOYSA-N 384.348 0.628 0 40 GCAB CCn1cc(C(=O)NCC(=O)NCCCOC)c(=O)c2cc3c(cc21)OCO3 6759436 QVVOIXXWGQXBOH-UHFFFAOYSA-N 389.408 0.633 0 40 GCAB O=C(Nc1ccc2c(c1)OCCO2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 7598807 YQUNUQAEMRZNLL-LBPRGKRZSA-N 393.421 0.562 0 40 GCAB Cc1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1C 7777235 JIRPWTZIFIZGMA-OLZOCXBDSA-N 388.515 0.410 0 40 GCAB O=S(=O)(c1ccc(CNc2ccc3nnnn3n2)s1)N1CCOCC1 12910757 QDLNSHOFIZGLIT-UHFFFAOYSA-N 381.443 0.214 0 40 GCAB NC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 13004713 VPFPGCPVTWLFBU-GWCFXTLKSA-N 377.372 0.519 0 40 GCAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C3)C1 19017049 YGVIMQJHCQUJLV-HUUCEWRRSA-N 385.468 0.566 0 40 GCAB Cn1cc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4cnccn4)n3)CC2)ccc1=O 19290492 UNTBARDQWGAFOJ-UHFFFAOYSA-N 392.419 0.945 0 40 GCAB C[C@@H]1CN(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)C[C@@H](C)O1 22411014 LNQLXXCYNLSBSM-HZPDHXFCSA-N 375.535 0.965 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851155 YFEJSTAGVJOHSZ-OAHLLOKOSA-N 377.441 0.677 0 40 GCAB CCN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O 23227881 QPOQIVCHUHRGND-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 27642636 TVZHDVCTOCZDNE-LVJXWLTRSA-N 382.409 0.096 0 40 GCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCOCC2)cc1C 28210101 YZBOKBGOPRUVNJ-CQSZACIVSA-N 382.438 0.542 0 40 GCAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccnc(N3CCOCC3)c1)CS2 40070997 GAJVZPOTPRPCMR-KDOFPFPSSA-N 376.482 0.988 0 40 GCAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)C[C@H](O)CN2CCN(C)CC2)c1 95446778 YCIKQMVCFZGRDT-CVEARBPZSA-N 394.516 0.571 0 40 GCAB CS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@@]21CCNC1=O 96036350 KDLJOVNUQMJSKA-GOSISDBHSA-N 378.498 0.445 0 40 GCAB COCCNC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 96156742 OWFXYVLGIAVUMZ-CQSZACIVSA-N 389.460 0.076 0 40 GCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CCO2)cn1 97012721 RMJLISJKMMCRNL-HNNXBMFYSA-N 385.467 0.586 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCCC2)cc1OC 225334631 SQFMHZCOEYFWQS-UHFFFAOYSA-N 399.513 0.926 0 40 GCAB O=C1CCCC(=O)N1CCNS(=O)(=O)c1ncccc1Br 585091883 ZSILWNHLJWCZSN-UHFFFAOYSA-N 376.232 0.662 0 40 GCAB C[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)C1 595107547 XLULFSWAEDEZOM-NVIBNEEGSA-N 377.466 0.717 0 40 GCAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC1(n2cnnn2)CCOCC1 616465042 HHFGOYXQXRAVRX-INIZCTEOSA-N 384.440 0.268 0 40 GCAB CS(=O)(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595511 CEAJAUAGTMZMHV-MRXNPFEDSA-N 379.482 0.481 0 40 GCAB CCN(CC)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2733124 DYDKWSZEQQVIQK-INIZCTEOSA-N 399.561 0.977 0 40 GCAB CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)cn1 2806626 LVJBQZCKLLWBNV-AWEZNQCLSA-N 380.474 0.354 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nncs2)cc1 3457729 DPYKWMAQMVRVSV-UHFFFAOYSA-N 386.480 0.837 0 40 GCAB CCOC(=O)c1nnn(-c2nonc2N)c1CS(=O)(=O)c1ccccc1 3651424 ISKATHYGPWIHFD-UHFFFAOYSA-N 378.370 0.383 0 40 GCAB COc1ccc2c(C)c(CCC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)c(=O)oc2c1 8764423 OCDADJYOELRIFF-CABCVRRESA-N 395.433 0.317 0 40 GCAB biogenic Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cccc(O)c2)=C1 12155186 NDHMZBFNMQECKM-UHFFFAOYSA-N 375.410 0.936 0 40 GCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2ccccc2)c1=O 19374415 SQAILQFSNIJEHV-UHFFFAOYSA-N 391.391 0.024 0 40 GCAB O=C1N[C@]2(CCc3ccccc31)CN(S(=O)(=O)c1cccnc1)C[C@H]2CO 19375524 IQRAYNANPYFHMP-HNAYVOBHSA-N 387.461 0.809 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCSCC1 20717221 BYSNVTXHSAUUJK-LBPRGKRZSA-N 377.422 0.801 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N3CCNC3=O)CC2)cc1 25061575 QQWYABTYMKAFLO-OAHLLOKOSA-N 394.497 0.632 0 40 GCAB O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCCN1CCOCC1 36579871 TZLVCZMLBVIMJV-QGZVFWFLSA-N 388.468 0.930 0 40 GCAB O=C(Cc1ccc(-n2cccn2)cc1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 40108817 FEEOKPUIXKGJCF-OAHLLOKOSA-N 390.465 0.224 0 40 GCAB Cc1ccccc1OCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 58191482 GLRJFQTXZXZDEJ-UHFFFAOYSA-N 375.406 0.882 0 40 GCAB O=C(Cc1csc(N2CCCNC2=O)n1)N1CCN(Cc2ccon2)CC1 72297681 QNHXEXONBFMNGF-UHFFFAOYSA-N 390.469 0.938 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@](O)(c2ccco2)c2cccs2)C1=O 225588662 IPBQJUDXIAXOAX-HNNXBMFYSA-N 399.450 0.984 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccn3)C(=O)[C@H]12 409277294 AOYCYMOMLKBUFN-CUYVQJCZSA-N 386.360 0.343 0 40 GCAB O=C(O)c1cnc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cn1 564968267 ZPTLGMVDLRLLLN-UHFFFAOYSA-N 383.408 0.249 0 40 GCAB O=C(NC1CCCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@@H]21 585109914 LAFLWYJUSQPKKR-PIMMBPRGSA-N 390.463 0.898 0 40 GCAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C(=O)C2CC2)C3)c1 604382317 OBDPHKCDAHUGFD-QGZVFWFLSA-N 385.464 0.843 0 40 GCAB biogenic,in-vitro CCN1CCCN(C(=O)Cn2cnc3c2CCNC32CCOCC2)CC1=O 1615549225 HBAXSEDEXBUQGU-UHFFFAOYSA-N 375.473 0.115 0 40 GCAB COCCn1cnc2c(N3CCN(c4ncnc5ncn(C)c45)CC3)ncnc21 1888926500 UZAROUZHBBUXCO-UHFFFAOYSA-N 394.443 0.476 0 40 GCAB Cn1c(N)c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(=O)n(C)c1=O 2653389 GXCPNIXKOWRWOP-UHFFFAOYSA-N 378.439 0.488 0 40 GCAB Cn1c(CNC(=O)CNC(=O)c2ccc3ccccc3c2)cc(=O)n(C)c1=O 6669906 FIIFOVVGQTYLEH-UHFFFAOYSA-N 380.404 0.283 0 40 GCAB OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O 12957061 NLRXQZJJCPRATR-RBGFHDKUSA-N 385.210 0.781 0 40 GCAB in-vitro Cc1c(-c2cc(C(=O)NCCS(=O)(=O)N3CCCCC3)on2)cnn1C 19554241 YAGKGCMAGHLSBH-UHFFFAOYSA-N 381.458 0.929 0 40 GCAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2cnccn2)CC1 25343278 MFMLXXDNCUEJRX-UHFFFAOYSA-N 380.408 0.219 0 40 GCAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCOCC1 32980158 RWFIKJYFEHCQJM-MRXNPFEDSA-N 384.454 0.620 0 40 GCAB O=C(CN1CCOCC1)N1CCC[C@H]1[C@@H]1Nc2ccccc2S(=O)(=O)N1 72342522 UFADXCULZNGENR-WMLDXEAASA-N 380.470 0.040 0 40 GCAB Nc1nc(/C=C(/O)c2ccccc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 104200551 TXHIENAAASYZJJ-CKWDLDCRSA-N 385.380 0.076 0 40 GCAB CO[C@@H]1O[C@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@@]3(O)[C@@H]5[C@@H]6[C@H](CC[C@H]6O[C@H]3OC)[C@@H]([C@@H]45)[C@@]12O 104288795 RJJXWMZYJXNNPT-DKOCAHRMSA-N 390.476 0.995 0 40 GCAB N[C@@H](CCC(=O)O)C(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1 257330150 XNCCMMLFXPMLGN-AWEZNQCLSA-N 387.440 0.269 0 40 GCAB CC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(C(=O)C3(F)CC3)CC1)N2C 1565549668 YTDUBXFYZKSDJK-UHFFFAOYSA-N 379.436 0.374 0 40 GCAB COc1ccc(S(=O)(=O)NCC2(O)CSCCSC2)cc1C(N)=O 1888944392 JWYPKUHEOGOSGN-UHFFFAOYSA-N 392.524 0.284 0 40 GCAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 4411427 RUZMRLNEEMNAMP-UONOGXRCSA-N 392.485 0.978 0 40 GCAB CC(=O)COc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5252155 IPYKFQICNODJJZ-UHFFFAOYSA-N 381.392 0.952 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n([C@H](C(=O)NC2CC2)c2ccccc2)c1 7989836 ZILJKMHUQOUAEJ-KRWDZBQOSA-N 375.450 0.967 0 40 GCAB CN(Cc1ccc(C(N)=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8984968 HXRZINXYROHVAL-UHFFFAOYSA-N 379.420 0.902 0 40 GCAB CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@H]21 8993497 WJTDZOVUEVKSCS-CHWSQXEVSA-N 384.479 0.831 0 40 GCAB Cn1c(=O)c2c(nc(SC[C@H](O)CO)n2Cc2ccc(F)cc2)n(C)c1=O 10386314 ZNQBEZNZVMJFAQ-GFCCVEGCSA-N 394.428 0.066 0 40 GCAB CN(C)c1cc(CN(C)S(=O)(=O)N2CCOCC2)nc([C@H]2CCCNC2)n1 19709718 WTTRGACLQCJSRH-AWEZNQCLSA-N 398.533 0.018 0 40 GCAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCCN2CCOCC2)n1 36353489 VWLQRFDVVMODPG-UHFFFAOYSA-N 389.412 0.669 0 40 GCAB CCOC(=O)Cn1nc2c(S(=O)(=O)N3CCCCCC3)cccn2c1=O 49006294 AQIPAJCZVMOERL-UHFFFAOYSA-N 382.442 0.624 0 40 GCAB COC(=O)c1ccccc1NC(=O)Cn1c(N2CCOCC2)nc(C)cc1=O 49411096 RKTDIVHUURHEHR-UHFFFAOYSA-N 386.408 0.814 0 40 GCAB CCOC(=O)N1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)CC1 70637419 TVDINYHILJIWFF-UHFFFAOYSA-N 393.415 0.964 0 40 GCAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2N)cc1 71772050 VQKMCYPDNFJLBH-UHFFFAOYSA-N 391.453 0.569 0 40 GCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1=O 77100186 IAEZJVHFIOUKST-UHFFFAOYSA-N 390.762 0.959 0 40 GCAB CS(=O)(=O)c1ccc(NCC(=O)Nc2ccccn2)c(S(C)(=O)=O)c1 79111739 PLTJPKUHZCTTEZ-UHFFFAOYSA-N 383.451 0.939 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)NC2CCN([C@H]3CCOC3=O)CC2)c1C 95455704 COCGRSQSPQWQAA-HNNXBMFYSA-N 396.465 0.840 0 40 GCAB CCOC(=O)c1cnc(N2CCN(c3ncnc4c3cnn4C)CC2)nc1C 95460601 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GCAB CCCCCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O 3009645 RCSSFRNDLJVBJN-UHFFFAOYSA-N 393.444 0.004 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)NCCSCc2ccccc2)n(C)c1=O 5267306 SQJIEPFLYNNPLL-UHFFFAOYSA-N 387.465 0.483 0 40 GCAB C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O 5423540 SOLWMUHHQMXGMP-KSSFIOAISA-N 381.432 0.981 0 40 GCAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CC1 6719736 OUPIOMOYRVGIPI-ZDUSSCGKSA-N 379.482 0.871 0 40 GCAB CN1CCC2(CC1)CN(C(=O)Cn1ccc(=O)[nH]c1=O)Cc1ccccc1O2 12365204 QPHKMWATXFLWDC-UHFFFAOYSA-N 384.436 0.422 0 40 GCAB CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 13096327 AJTPRKIPASNULA-UHFFFAOYSA-N 375.454 0.737 0 40 GCAB COc1ccc(NC(=O)CSc2nncn2C2CC2)cc1S(N)(=O)=O 14085960 JFOYIBXNGPSINS-UHFFFAOYSA-N 383.455 1.000 0 40 GCAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@H]3CCCO3)C1)C2=O 19700005 DSNRWAAQBNYLJH-JKSUJKDBSA-N 392.500 0.953 0 40 GCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1c[nH]c2ccccc12 22803649 LXOSHXBSBAOVRM-UHFFFAOYSA-N 383.496 0.723 0 40 GCAB COc1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 23058166 UGVGVQGHEWYLTL-GJZGRUSLSA-N 397.497 0.807 0 40 GCAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCOCC2)CC1 23366033 OTEXBGRZMGGKEL-OAHLLOKOSA-N 378.448 0.629 0 40 GCAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1 25343000 UOBHAWLKDRTXHI-UHFFFAOYSA-N 375.454 0.405 0 40 GCAB Cn1cc(S(=O)(=O)NCC(=O)NC2CCN(CC3CCCC3)CC2)cn1 71841982 UBBNIISYKULUCO-UHFFFAOYSA-N 383.518 0.469 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2O)C(=O)O)CC1 72403728 SHOMCHAXHJQXCF-CQSZACIVSA-N 392.456 0.127 0 40 GCAB CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]1CN(Cc2ccccc2)CCO1 79108643 ANMLMFXWEZAIHA-IAGOWNOFSA-N 383.514 0.674 0 40 GCAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)O1 95460106 BKLGKPXWFOZDSJ-ZFWWWQNUSA-N 383.470 0.059 0 40 GCAB CC(=O)N1CCC(NC(=O)CN[C@H](C)C2(N3CCOCC3)CCCC2)CC1 95941426 BFYQNYQOCLQKDL-MRXNPFEDSA-N 380.533 0.737 0 40 GCAB CCOC(=O)Cc1csc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)n1 101715747 DZXDSGKFEBBVDG-UHFFFAOYSA-N 390.425 0.859 0 40 GCAB C[C@@]1(O)CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1n1ccc(O)nc1=O 257252238 JUAYNVVSEJUHGT-FOIQADDNSA-N 397.435 0.982 0 40 GCAB COCCN1C[C@]2(COCC1=O)CN(C(=O)c1csc(C)n1)C[C@H]2N(C)C 1565546438 BFNPGMIBUIGESO-CRAIPNDOSA-N 396.513 0.329 0 40 GCAB CN(C)C(=O)COCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2 1565546627 BEJGWVUAUVXDQZ-UHFFFAOYSA-N 376.392 0.002 0 40 GCAB COC1(CNS(=O)(=O)c2c(F)cccc2F)CCN(S(C)(=O)=O)CC1 1889214017 AJVBOQDPEMVOQQ-UHFFFAOYSA-N 398.453 0.684 0 40 GCAB CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363780 YKPLIDINLWOANO-CYBMUJFWSA-N 392.485 0.978 0 40 GCAB CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 3340536 FCNOYGVPMNDLQW-UHFFFAOYSA-N 382.463 0.710 0 40 GCAB CC(C)(CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CCCCC1 12767784 CYEJKPDAEXXFSF-UHFFFAOYSA-N 375.516 0.877 0 40 GCAB CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 23798795 LVPADMXZAXBZSJ-UHFFFAOYSA-N 375.491 0.785 0 40 GCAB COc1ccc(OCCN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 24060243 ZLBZORSLSGIHNR-UHFFFAOYSA-N 399.451 0.165 0 40 GCAB CCN(CC)C(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 34889480 OSOILADQOFSPAF-UHFFFAOYSA-N 386.543 0.978 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375637 QVYSYXNAPWSMPT-FVMVMODRSA-N 375.400 0.727 0 40 GCAB Cc1cccc(OCCNC(=O)CN2CC[C@@H](OCCN3CCOCC3)C2)c1 84211256 SSUYHQSLORKVEK-HXUWFJFHSA-N 391.512 0.913 0 40 GCAB Cn1c(=O)c2[nH]c(CN3CCNC(=O)C[C@@H]3c3ccccc3)nc2n(C)c1=O 89745358 VSGOCAZJFSENEK-CYBMUJFWSA-N 382.424 0.024 0 40 GCAB CN1[C@H]2CCN(C(=O)c3nc[nH]n3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263868 SRXALTLRYAMOIM-RYUDHWBXSA-N 377.426 0.491 0 40 GCAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)C1 105755808 VDANAJBVZMXRSM-VIFPVBQESA-N 397.482 0.847 0 40 GCAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(C2CCS(=O)(=O)CC2)CC1 225810820 UJNVSAILYQXQFS-UHFFFAOYSA-N 389.481 0.602 0 40 GCAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859832 ZFOCAWTYISYIND-UHFFFAOYSA-N 375.362 0.479 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1 253394158 AMQVSSWTAHFRCB-KCXAZCMYSA-N 394.449 0.955 0 40 GCAB Cn1cnc(S(=O)(=O)N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)c1 306125018 CESZXUGQLCXUTB-CYBMUJFWSA-N 378.458 0.492 0 40 GCAB Cn1cc(CN2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)cn1 306131531 KHZORKBLXLQVRV-OAQYLSRUSA-N 392.463 0.635 0 40 GCAB CNC(=O)[C@@H](CNC(=O)c1cn(C)c(=O)nc1O)Cc1ccc(F)cc1C 516471759 ATSCBGJXJAKEAM-GFCCVEGCSA-N 376.388 0.268 0 40 GCAB C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)O1 527555435 WPZQVKTWMSHDOS-IAQYHMDHSA-N 389.449 0.029 0 40 GCAB COc1nc(CNC(=O)c2cccc(-n3cccn3)c2)nc(N2CCOCC2)n1 575606525 JCGIPCLTVJVHIX-UHFFFAOYSA-N 395.423 0.833 0 40 GCAB O[C@@]1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1 585274424 WJERZPSIHZHVEX-OAQYLSRUSA-N 375.513 0.788 0 40 GCAB Cc1c(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cnn1-c1ccccc1 626451073 ODZJCAJBPANPGI-OAHLLOKOSA-N 393.469 0.963 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 681942529 MAFWZCXLSMDFIO-HNNXBMFYSA-N 392.408 0.161 0 40 GCAB CN1[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2OCCS1(=O)=O 1534639787 CSZCBJQKFROBSW-OLZOCXBDSA-N 380.875 0.373 0 40 GCAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cnn(C)c3)CC1)CC(=O)N2C 1772596117 FWPWCDHBIAHUNY-UHFFFAOYSA-N 378.458 0.472 0 40 GCAB Cc1nnc(N2CC(NC(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)s1 1888904283 ZMTYTZBDATYDSR-NSHDSACASA-N 378.483 0.754 0 40 GCAB Cn1ccc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)cc1=O 1888930322 PMAMQOYDFGUPGJ-HOTGVXAUSA-N 398.488 0.898 0 40 GCAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(N)=O 3398737 LGEKJPYXYZYFRQ-SNVBAGLBSA-N 379.394 0.245 0 40 GCAB Cc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)c(C)c1 4134981 NUFULRDCASNTPV-UHFFFAOYSA-N 377.426 0.717 0 40 GCAB O=C(OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 5463659 PIGNGCMSUDDEEI-ZDUSSCGKSA-N 381.406 0.750 0 40 GCAB CCNC(=O)[C@H](C)NC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)[C@@H](C)CC 8729109 JOYRQFJXDRHADZ-SLEUVZQESA-N 394.497 0.781 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 10188037 YYOSHJBVRGYHRI-UHFFFAOYSA-N 395.418 0.117 0 40 GCAB CN(CCOc1ccccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15364842 PPWKSBYUEMGJHZ-UHFFFAOYSA-N 387.845 0.437 0 40 GCAB O=C(CSc1nc(=O)c2cnn(CCO)c2[nH]1)Nc1ccc2c(c1)OCO2 15881225 ZVHHYJKUZYYYBC-UHFFFAOYSA-N 389.393 0.571 0 40 GCAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)c2nccnc21 19021471 WSFOABCOXYJNCT-CABCVRRESA-N 386.456 0.847 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19402445 XKZYIVYZQNBVPK-DOMZBBRYSA-N 388.449 0.930 0 40 GCAB CN1CCN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 22523480 GLZXKBZYJMLNFX-UHFFFAOYSA-N 397.545 0.297 0 40 GCAB O=C1NC(=O)[C@H](CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)N1 32678530 OMJRTGYXMVTYEB-HNNXBMFYSA-N 394.859 0.851 0 40 GCAB COc1ccc([C@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F 32745024 QDOBWCJSMSDWOS-JTQLQIEISA-N 389.387 0.459 0 40 GCAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1 68639335 KIUVNPBXMZHHJT-UHFFFAOYSA-N 375.381 0.903 0 40 GCAB CCn1nnc2c(N3CC(C(=O)Nc4ccc(-n5cnnn5)cc4)C3)ncnc21 96096776 VJYCLWAPVNNEMG-UHFFFAOYSA-N 391.399 0.292 0 40 GCAB COCCN1[C@@]2(CCN(C(=O)N3CCOCC3)C2)c2ccccc2S1(=O)=O 96261872 PEBUQNMASPGTFL-GOSISDBHSA-N 395.481 0.691 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)[C@H]1CC(=O)N(c2ccccc2)C1 225805479 BMJSHYZHXKOCER-LBPRGKRZSA-N 398.444 0.921 0 40 GCAB O=C(NCCO)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710155 QIJMDVNHVNWXLC-UHFFFAOYSA-N 385.376 0.392 0 40 GCAB NS(=O)(=O)Cc1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1 501984364 DMOBRVUVUQJJCK-UHFFFAOYSA-N 378.435 0.885 0 40 GCAB Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 517965276 YOCZGVFSJMASPL-ORIJERBGSA-N 399.517 0.515 0 40 GCAB Cc1cc(N2CCN(CC(=O)N3CCCCC3)CC2)nc(N2CCOCC2)n1 1889122639 SDDUTMASLSOIHT-UHFFFAOYSA-N 388.516 0.756 0 40 GCAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1 2952207 DVCHYSOCFABCLZ-UHFFFAOYSA-N 394.435 0.609 0 40 GCAB CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)[C@@H]1CCS(=O)(=O)C1 3449946 GNHAAOVZKNNSKU-GFCCVEGCSA-N 383.499 0.869 0 40 GCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCOc4ccccc43)ccc21 4520663 SNHONULEUANCQJ-UHFFFAOYSA-N 387.417 0.825 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 5322782 ZVLMXTDFRSMHLB-VBQJREDUSA-N 389.452 0.848 0 40 GCAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 9833413 BVJKHSGSGJTXDO-JTQLQIEISA-N 375.414 0.753 0 40 GCAB CN1C(=O)n2c(nc3ccccc32)C(N2CCOCC2)(N2CCOCC2)C1=O 19327936 CACUSLNHWOIJJL-UHFFFAOYSA-N 385.424 0.294 0 40 GCAB COCCNC(=O)CN1CCCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19740912 WNUWKIZOCNIWEB-HNNXBMFYSA-N 375.473 0.984 0 40 GCAB CC(C)(C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228117 GUBPOZBMYXSIID-UHFFFAOYSA-N 397.497 0.281 0 40 GCAB O=S(=O)(c1cccnc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23135028 IGCFQAWPAACTIY-UHFFFAOYSA-N 385.453 0.564 0 40 GCAB Cc1cc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)ccc1-n1cnnn1 32818096 RNEOQTAEVCRQEH-UHFFFAOYSA-N 397.439 0.955 0 40 GCAB O=C([C@H]1CCCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O)N1CCOCC1 66486627 FPMQFUGQRASAIM-CQSZACIVSA-N 392.456 0.091 0 40 GCAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70999340 PRQZHHGAQKQXHM-BONVTDFDSA-N 380.364 0.928 0 40 GCAB CCS(=O)(=O)NCCCNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 89274480 GBDMBLRAMCSGTK-UHFFFAOYSA-N 395.894 0.299 0 40 GCAB COc1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 224382985 DHEKMGMJVFQITP-CQSZACIVSA-N 385.486 0.709 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cn(C)cn2)C3)n1 306123850 AYKQHXTTYFYWBK-ZDUSSCGKSA-N 391.453 0.227 0 40 GCAB CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(C(=O)O)c3)C2)C1 514290275 WBXCPZZCTCIIES-QZTJIDSGSA-N 387.480 0.873 0 40 GCAB biogenic,in-vitro Cc1cnc2n(c1=O)[C@@H](CC(=O)NCCn1nc(C3CC3)ccc1=O)CS2 575608953 QEKKCORMQCHNJC-ZDUSSCGKSA-N 387.465 0.839 0 40 GCAB CC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@H](CO)C1 585282567 HBDXIZWHOLIZII-QGZVFWFLSA-N 379.476 0.930 0 40 GCAB COc1cccc(N2CCN(C(=O)CCCC(=O)N3CCNC(=O)C3)CC2)c1 604419347 CSIWQAKZFWAJCK-UHFFFAOYSA-N 388.468 0.473 0 40 GCAB Cc1noc(C)c1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243022 COJKPAZDHBUGDL-ZDUSSCGKSA-N 380.426 0.196 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1 3331595 QVRCMDANKZHSGX-UHFFFAOYSA-N 387.414 0.390 0 40 GCAB CCO[C@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5732085 DQHZSEKAVUOAPQ-ZJIFWQFVSA-N 376.358 0.108 0 40 GCAB Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 7006939 VMFDCXFCVWBBCJ-GFCCVEGCSA-N 381.483 0.675 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN3CCN(C)CC3)C2)cc1 8073085 HYEZDWQRDLHIAT-OAHLLOKOSA-N 396.513 0.375 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNC(=O)[C@@H]3C)C2)cc1 11694227 CDCJDDLWUSHYTA-KBPBESRZSA-N 395.481 0.443 0 40 GCAB COCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccncc3)nc2C)CC1 12229956 WDSFAWXMFGAKIK-UHFFFAOYSA-N 391.453 0.326 0 40 GCAB NC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 13096760 RBBJNIOVVQREBP-HNNXBMFYSA-N 379.482 0.811 0 40 GCAB CCN(CC)S(=O)(=O)N1CCc2nc([C@H]3CCCNC3)nc(NC)c2C1 19711443 OOVPGHJLOUBHCY-ZDUSSCGKSA-N 382.534 0.930 0 40 GCAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1 19867737 ZKPLDEDPKBFSHQ-UHFFFAOYSA-N 393.509 0.837 0 40 GCAB CCN1CCN(C(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)CC1 22251387 GRJXXBQSNSUCGW-UHFFFAOYSA-N 385.486 0.877 0 40 GCAB Cc1ccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1C 22786720 AZZLWMMMEBRJOI-UHFFFAOYSA-N 387.484 0.848 0 40 GCAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)NC[C@@H]2CCCO2)CC1 49523268 RDKIXNCHLZITQI-ZDUSSCGKSA-N 395.485 0.110 0 40 GCAB COc1cc(NC(=O)C(=O)NCc2cc[nH]n2)c(C(=O)N(C)C)cc1OC 58298484 OGMOONAGLWIYOP-UHFFFAOYSA-N 375.385 0.384 0 40 GCAB O=C1NCCc2ccc(S(=O)(=O)N3CCCC[C@H]3Cn3ccnn3)cc21 95469259 CDXMVIRCKCAOLY-AWEZNQCLSA-N 375.454 0.807 0 40 GCAB Nc1nc(N)c2c(n1)O[C@]1(COCCN(Cc3ccc(/C=C/C(=O)O)cc3)C1)C2 257322440 WFZSVGHNMDJTNL-RRFGBZISSA-N 397.435 0.945 0 40 GCAB Cc1cncc(C(=O)N2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)c1 306125010 CELVKJLCKBSDEB-HZPDHXFCSA-N 381.436 0.778 0 40 GCAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)[C@H]3CCCN3C(C)=O)cc2NC1=O 585281207 GPDXZRTXDGZMQK-ZIAGYGMSSA-N 395.437 0.612 0 40 GCAB CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C(F)(F)F)c1 594702017 SOFKNGIUQYPKBY-JOYOIKCWSA-N 377.388 0.857 0 40 GCAB CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 655100863 OILQKSBMWBAECQ-FVCCEPFGSA-N 399.435 0.729 0 40 GCAB COCC(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3ccc(OC)cc3)[C@@H]2C1 1534645886 PNZILUHYRBTVOP-CVEARBPZSA-N 384.454 0.083 0 40 GCAB O=C(NCCCn1ccnc1)[C@H]1C[C@]2(CO1)CN(Cc1nccs1)CCO2 1565541991 TZGSKARRIYOMRX-CRAIPNDOSA-N 391.497 0.906 0 40 GCAB CCc1ccc(S(=O)(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)s1 1775985874 FJKHPEVUQJUZDX-UHFFFAOYSA-N 384.483 0.621 0 40 GCAB O=C(CN1C(=O)c2ccccc2C1=O)NCCn1nc(C(F)(F)F)ccc1=O 1888920896 NYWKOTANFSJHAF-UHFFFAOYSA-N 394.309 0.675 0 40 GCAB O=C(COc1ncnc2c1cnn2-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 6876281 JTFDNLQPQZNWLH-GFCCVEGCSA-N 387.421 0.498 0 40 GCAB Cc1ccc(Cn2c(N3CCCNCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 8701222 BVVKFKAUIJKORU-UHFFFAOYSA-N 382.468 0.590 0 40 GCAB Cn1c(SCC(=O)N2CCNC2=O)nnc1[C@H]1COc2ccccc2O1 9114204 KSPRQZAEZNQNID-GFCCVEGCSA-N 375.410 0.972 0 40 GCAB CCn1cc([C@H]2C[C@@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 12130477 OFQIRTYVDSPHRS-CABCVRRESA-N 381.458 0.700 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(-c2cccnc2)n1 13265462 TWBBUOZDUOHBLG-UHFFFAOYSA-N 375.454 0.725 0 40 GCAB O=C(CN1CSCC1=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268277 HPSTUXAGDFBDSO-UHFFFAOYSA-N 382.449 0.983 0 40 GCAB CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)CN2C1=O 14745562 DNXHHPWHEDGLBV-DUPGQFARSA-N 389.500 0.961 0 40 GCAB CNc1nc(C2CCNCC2)nc2c1CN(CC(=O)N[C@H](C)COC)CC2 19711074 VAQDIHCXJXIUIE-CYBMUJFWSA-N 376.505 0.495 0 40 GCAB Cc1ccc(S(=O)(=O)C[C@@H](CN2CCN(C)CC2)N2CCN(C)CC2)cc1 19991341 NXYCAEHHHVAZGY-LJQANCHMSA-N 394.585 0.632 0 40 GCAB COc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1 22935165 GLDTVTWZYUULKP-UHFFFAOYSA-N 398.529 0.215 0 40 GCAB COc1ccccc1NC(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 24365781 MQIQQBMTAFUAAZ-CYBMUJFWSA-N 381.454 0.806 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 35388387 YTGUAMZIQBUIEO-CQSZACIVSA-N 376.432 0.411 0 40 GCAB CCN1CCOC(=O)[C@H]1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 54253787 HRSRNJPCFYHNRW-CQSZACIVSA-N 378.381 0.836 0 40 GCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NCc1ccco1 72342134 WXVGMKNUTHRLBG-UHFFFAOYSA-N 378.392 0.914 0 40 GCAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(CCc2ccncc2)CC1 79488634 IXJZBTFVLDCUFH-UHFFFAOYSA-N 381.480 0.904 0 40 GCAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)NC(=O)NCc1ccccc1 84539184 WBJNGMICBDEGOY-UHFFFAOYSA-N 387.484 0.252 0 40 GCAB COc1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)cc1N 89745348 PUEIRBAUHKQMAQ-UHFFFAOYSA-N 391.359 0.021 0 40 GCAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCC(C(N)=O)CC2)s1 225607593 HEQDSKYSDYNOKW-UHFFFAOYSA-N 375.476 0.409 0 40 GCAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 244933183 CFLCBBJLVSZYTQ-KBMXLJTQSA-N 386.445 0.947 0 40 GCAB Cc1nonc1CNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 248018798 LLGMRCDAFLBVQV-DRMAHVMPSA-N 381.392 0.371 0 40 GCAB CN(C)C[C@]1(O)CCCN(Cc2nnc3n(C)c(=O)c4sccc4n23)C1 639760239 CWKBFHFMECVYAR-QGZVFWFLSA-N 376.486 0.531 0 40 GCAB Cc1noc(CN2CCCC[C@H](NS(=O)(=O)C[C@H]3CCCCO3)C2=O)n1 643681415 PAWZNSHUBYIQPP-KGLIPLIRSA-N 386.474 0.748 0 40 GCAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1669288261 VSKMEPSKKQCMCS-OLZOCXBDSA-N 381.520 0.067 0 40 GCAB CCn1c(SCC(=O)N[C@@H](C)COC)nc2cc(S(N)(=O)=O)ccc21 5083476 MXYDSKFUPQYDFF-JTQLQIEISA-N 386.499 0.947 0 40 GCAB O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 6575178 CTNAJLAPTMXBMN-BBGACYKPSA-N 383.451 0.205 0 40 GCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCN(c2nccs2)CC1 11187153 OHUFJVDUSSTNFH-UHFFFAOYSA-N 385.449 0.885 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(N)=O)CC2)cc1 12925157 DTZZJZSAJAXKSP-GFCCVEGCSA-N 382.438 0.707 0 40 GCAB O=C1CN(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C(=O)N1 12972962 FUDUJRXMWZIEOH-UHFFFAOYSA-N 388.405 0.362 0 40 GCAB CCCOC(=O)c1ccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 21576712 KMVQHCNEHWTVOL-OAHLLOKOSA-N 391.424 0.555 0 40 GCAB CCN(C(=O)COC(=O)c1cn2c(C)cccc2n1)[C@H]1CCS(=O)(=O)C1 22616271 OFBHITVDQPOMNI-ZDUSSCGKSA-N 379.438 0.835 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(NC(C)=O)ccc1C 24977034 NCAINRHYEBREEY-ZDUSSCGKSA-N 383.426 0.006 0 40 GCAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 28811908 DZUYFPCHQIZCQL-UHFFFAOYSA-N 381.458 0.235 0 40 GCAB COc1c2c(c(S(=O)(=O)N3CCC(=O)CC3)c3c1OCO3)CCN(C)C2 40310300 BEXRKAJFUSWKGF-UHFFFAOYSA-N 382.438 0.765 0 40 GCAB biogenic NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1 60348769 LCMRSYQNGMPWDP-CYBMUJFWSA-N 376.456 0.250 0 40 GCAB C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 72188430 HRSGCYGUWHGOPY-SWHUVEJCSA-N 397.468 0.305 0 40 GCAB biogenic,in-vitro CCOC(=O)[C@@H](CO)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 95456353 QGGRLYUKUSRVCY-OAHLLOKOSA-N 384.379 0.857 0 40 GCAB COCCn1cnc2nnc3ccc(C(=O)NCCN4CCOCC4)cc3c21 96146577 LRXAEERGMVSISP-UHFFFAOYSA-N 384.440 0.688 0 40 GCAB CS(=O)(=O)c1ccc(OC[C@]2(CNC3CCOCC3)C[C@H](O)[C@H](O)C2)cc1 107283789 FRCOCKFEUBLWFG-BWTSREIZSA-N 399.509 0.740 0 40 GCAB biogenic,in-vitro CC(=O)[C@@]1(O)CC[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 153215615 ATMZVVNNICECKQ-TWHJCCPZSA-N 380.481 0.831 0 40 GCAB biogenic O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390828982 VNEBBQGGQOQMGJ-AWEZNQCLSA-N 384.458 0.733 0 40 GCAB Cn1ccnc1[C@@H]1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 535968899 KBTOCHZBEWOVNW-CQSZACIVSA-N 377.470 0.809 0 40 GCAB CNC(=O)[C@@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccncc1 1554394214 NHVFDRMKXRMFOI-HNNXBMFYSA-N 399.499 0.857 0 40 GCAB NS(=O)(=O)c1ccc(CCC(=O)N2CC3(CC(=O)Nc4nccn43)C2)cc1 1558684572 NPZCVBONGKQITJ-UHFFFAOYSA-N 389.437 0.043 0 40 GCAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)CN4C(=O)CCC4=O)C[C@H]3C2)nn1 1888855833 QJOLSSNUIRKHKT-ZIAGYGMSSA-N 385.468 0.818 0 40 GCAB Cc1ccn(-c2ccc(N3CCN(CC(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)nn2)n1 2086886896 AOCBUAZDDOOCAC-IAGOWNOFSA-N 399.499 0.729 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)CSCc1ccccc1 1756808 PVVOXOJGFNXJJC-NPQIQWPPSA-N 375.450 0.795 0 40 GCAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccncc1 4935279 CYOIRWWWOLTNAL-UHFFFAOYSA-N 391.449 0.798 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCC(C)C 6601839 UMNVPYWOHNOMFV-UHFFFAOYSA-N 385.486 0.900 0 40 GCAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(N2CCOCC2)cc1 7813445 VOIMRLSGLYVACD-JTQLQIEISA-N 375.458 0.992 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)N1CCCC1 8560384 HKUWCEKIUAYADN-UHFFFAOYSA-N 395.481 0.817 0 40 GCAB Cn1cccc1C(=O)NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 9728981 ZYTAYTGHWIOKOX-JTQLQIEISA-N 398.466 0.434 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)NCCc2nnc3ccccn23)ccc1OC 11915238 AVUGZZVJLCHGRL-UHFFFAOYSA-N 389.437 0.619 0 40 GCAB Cc1cccc(OC[C@H](O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)c1 12232438 GGFOSYRRIGHWPZ-LLVKDONJSA-N 376.438 0.471 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 13817433 ZWIMWDZTOMJHSE-UHFFFAOYSA-N 385.380 0.581 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 14239930 XABQSMWWSWCQCW-CYBMUJFWSA-N 398.462 0.675 0 40 GCAB COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)[C@@H](C)O 16102062 ZFRKCKWJPNCPAA-BYCMXARLSA-N 396.440 0.867 0 40 GCAB CCN1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19527866 JRZVWZPODKBNLY-OAQYLSRUSA-N 399.495 0.715 0 40 GCAB COc1cc(OC)c(S(=O)(=O)n2ccnc2)cc1S(=O)(=O)n1ccnc1 27824760 CROCHYBJGINFSM-UHFFFAOYSA-N 398.422 0.571 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 33327164 DWWAWOIPVHYJOT-VMPITWQZSA-N 390.465 0.391 0 40 GCAB O=C(Cc1noc(C(=O)NCCN2CCOCC2)n1)Nc1ccc(F)cc1F 36352813 KPZJPMBREUNIID-UHFFFAOYSA-N 395.366 0.591 0 40 GCAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCN(C)CC1 38280065 WWUBLCNLXPGIGQ-UHFFFAOYSA-N 397.497 0.169 0 40 GCAB CCOC(=O)C1=C(CN2CCC[C@H]2C(=O)NCC(F)(F)F)NC(=O)NC1 54991508 SWTAEUQQIDLJKN-NSHDSACASA-N 378.351 0.259 0 40 GCAB O=C1CN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)CCN1 101510703 JHDLQRUVHHIWKP-GASCZTMLSA-N 379.482 0.730 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCSc2ncn[nH]2)cc1 222631467 MNQFIHRPODQEKX-UHFFFAOYSA-N 399.498 0.779 0 40 GCAB CC(=O)Nc1ncc(S(=O)(=O)NCCn2ccc3ccoc3c2=O)s1 238906048 RVTKOTDTNJKBHD-UHFFFAOYSA-N 382.423 0.988 0 40 GCAB COCCN1CC[C@@]2(CN(C(=O)c3ccnn3C)C[C@@H]2c2cn(C)cn2)C1=O 306141037 VJNRHNGWHLYVKE-KUHUBIRLSA-N 386.456 0.258 0 40 GCAB CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3F)[C@H]2O)CC1 514289445 UMUOIWFUAVJZNX-YESZJQIVSA-N 398.410 0.379 0 40 GCAB biogenic,in-vitro Cc1sc(-n2cnnn2)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1C 524732968 HFQBNEIDNUPWTG-UHFFFAOYSA-N 392.466 0.918 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)NCCN[C@@]1(C)CCS(=O)(=O)C1 575420989 HEZPAKMLTSLLCL-HNNXBMFYSA-N 376.500 0.449 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)c2cccs2)nc(N2CCOCC2)n1 575604829 BVZWAVGUNUVAHJ-UHFFFAOYSA-N 384.487 0.314 0 40 GCAB O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C1)CN(C1COC1)C2 604380997 ANFXDSKZTUCIAU-MRXNPFEDSA-N 377.872 0.950 0 40 GCAB biogenic,in-vitro Cc1cnc(OC[C@]23CCC[C@H]2CN(S(=O)(=O)N2CCOCC2)C3)nc1 1888881849 PYWQBFXGSWFNQI-DOTOQJQBSA-N 382.486 0.843 0 40 GCAB C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 2665178 KROZIKYJQZXWRW-ZDUSSCGKSA-N 390.465 0.730 0 40 GCAB CC(C)CCNC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 7771711 UOTCALHXHQCOHZ-LBPRGKRZSA-N 381.454 0.819 0 40 GCAB COC(=O)COc1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1 8091437 PWMGKGNEGUJMRY-JYRVWZFOSA-N 378.406 0.811 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)cc(=O)oc1C)[C@H]1CCS(=O)(=O)C1 12936398 ZFZSJKDIJBZYTH-STQMWFEESA-N 385.438 0.838 0 40 GCAB C[C@@H](C(=O)NCCCN(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 13595972 AXQBKEQHTSKZTB-ZDUSSCGKSA-N 385.486 0.680 0 40 GCAB COC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(OC)ccnc3n(C)c2=O)cc1 15880336 FEUGMZDXBYMPBE-UHFFFAOYSA-N 398.375 0.529 0 40 GCAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc2nsnc12 23092675 HHJKJSGTPIZEND-LBPRGKRZSA-N 395.510 0.435 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(NC(C)=O)ccc1C 24977040 NCAINRHYEBREEY-CYBMUJFWSA-N 383.426 0.006 0 40 GCAB O=C(CCNC(=O)c1csc(Br)c1)N[C@H]1CCS(=O)(=O)C1 36391148 VXNYSKQXQLIXQR-VIFPVBQESA-N 395.300 0.934 0 40 GCAB O=S(=O)(c1cccs1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 36708270 XMZGJXONILMPBA-UHFFFAOYSA-N 395.510 0.886 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 40083159 XUIAOSDLBZJYAC-UHFFFAOYSA-N 393.435 0.715 0 40 GCAB CCOC(=O)c1ccc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)cc1 61718940 SLMRHJGBPOZGLH-UHFFFAOYSA-N 386.408 0.895 0 40 GCAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCn1nc(-n2cccn2)ccc1=O 77196884 VLNDBGZPIQGGRP-ACJLOTCBSA-N 381.392 0.774 0 40 GCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CCO2)cn1 97012728 WKOROYCNKJZLJI-HNNXBMFYSA-N 385.467 0.586 0 40 GCAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)n[nH]1 225563167 JNBBAWHPLVJFNG-UHFFFAOYSA-N 398.345 0.805 0 40 GCAB CNC(=O)[C@@H]1[C@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@@]1(C)O3 231680809 XDZKHRZZZUCGTG-JKFIPMIMSA-N 387.480 0.884 0 40 GCAB COCCOc1cc(CN2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)ccc1OC 257315360 VAZJHLKICCTXRR-BRWVUGGUSA-N 382.457 0.153 0 40 GCAB CC(=O)N1CCC(N2CCC(C(=O)N3C[C@]4(F)CNC(=O)[C@]4(F)C3)CC2)CC1 306142243 WUMDYQYNPFNNKJ-RTBURBONSA-N 398.454 0.098 0 40 GCAB COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 592389560 XWPXPBGUTHFRTA-NSHDSACASA-N 397.375 0.548 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 607461612 SNJZAMUWMDZRST-UHFFFAOYSA-N 398.460 0.517 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)CCO1 663026255 OEHQXTRVMQVSDH-INIZCTEOSA-N 396.465 0.751 0 40 GCAB O=S(=O)(NCC1(O)CSCCSC1)c1ccc2c(c1)OCCO2 1888930415 RLCHSOZDCMVENI-UHFFFAOYSA-N 377.509 0.947 0 40 GCAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(F)(F)F 3380630 JQTSPEWMAQXVHU-QMMMGPOBSA-N 393.343 0.335 0 40 GCAB CCOC(=O)[C@@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 4999286 PWYPAGXBJINJHK-YPMHNXCESA-N 375.356 0.486 0 40 GCAB COc1cccc(-c2nnn(CC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)n2)c1 9495229 GPMHHYWEECARRO-CQSZACIVSA-N 391.453 0.527 0 40 GCAB COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 12372060 PYZKZMBTGBVPRR-UHFFFAOYSA-N 378.366 0.440 0 40 GCAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 19017288 XTCSJJIFTXWVDF-RHSMWYFYSA-N 385.468 0.913 0 40 GCAB COCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22228198 PONSFYOIRLJOBT-UHFFFAOYSA-N 397.497 0.283 0 40 GCAB COc1ccc(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)cc1S(N)(=O)=O 24892397 VHVXTJNUBHIOCW-SSDOTTSWSA-N 384.332 0.566 0 40 GCAB COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 32836273 CBOODCODPHPWKR-MRXNPFEDSA-N 398.548 0.613 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)C2CC2)CC1 44227350 KTQVZMJKUNWFPF-UHFFFAOYSA-N 376.438 0.033 0 40 GCAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3cccnc3)[C@@H]2O)cc1 77264799 ALUMZSNAEQXVDR-KURKYZTESA-N 377.466 0.586 0 40 GCAB biogenic,in-vitro O=C(c1ccno1)N1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251927 COKOMHXBTYRPHB-GXTWGEPZSA-N 389.437 0.823 0 40 GCAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCCN1CCOCC1 223050977 PNMQWXGLAPBEMW-UHFFFAOYSA-N 399.513 0.463 0 40 GCAB Cn1nccc1C(=O)N1CC[C@]2(CCn3ncnc3[C@@H]2NC(=O)C2CCC2)C1 306137359 QUDMGHBFOAAHMO-KXBFYZLASA-N 383.456 0.905 0 40 GCAB CCN1C(=O)C[C@H](C(=O)NCC(=O)NC2CCCCC2)[C@H]1c1nccn1C 1615589138 ISGSQKBTGQUKRV-YOEHRIQHSA-N 375.473 0.895 0 40 GCAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1C 2642380 RFDXVAJTAGMUMO-UHFFFAOYSA-N 381.410 0.803 0 40 GCAB CN1CCC(N(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 3217379 LLNFNPQAXNTPIP-UHFFFAOYSA-N 381.498 0.874 0 40 GCAB CN1CC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1=O 6145139 SYHREUCJPSKPPN-UHFFFAOYSA-N 388.833 0.423 0 40 GCAB CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@H]1C 8393259 QQRGQONNJHXSMU-VIFPVBQESA-N 379.394 0.350 0 40 GCAB CCOC(=O)c1sc(NC(=O)Cn2cnc3c(cnn3C)c2=O)nc1C 14078364 ONYZHAGPTFSGEQ-UHFFFAOYSA-N 376.398 0.710 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc(N)nc(N)n3)CC2)cc1 14230111 OJEKMWAJKFDGLT-UHFFFAOYSA-N 377.474 0.241 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(F)cc1 20674682 ZJEIFNBWZMJZNZ-HUUCEWRRSA-N 376.388 0.306 0 40 GCAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898501 CFRXUTMUIDCBQH-UHFFFAOYSA-N 395.525 0.677 0 40 GCAB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)C(=O)N1CCNC1=O 21732081 WGRQZVCAYVAZBW-NSHDSACASA-N 395.437 0.701 0 40 GCAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)NC(=O)C4)cc2c1=O 45222115 YHNKZXLLEUSNNO-UHFFFAOYSA-N 386.389 0.522 0 40 GCAB O=C(NCCCn1ncccc1=O)C1CN(C(=O)COc2ccccc2F)C1 70815204 VXFUOPMOGAQMMK-UHFFFAOYSA-N 388.399 0.426 0 40 GCAB COCCNC(=O)Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12 72348107 NOMXMRKEKWYLCX-UHFFFAOYSA-N 376.804 0.030 0 40 GCAB O=C(NCCNc1nnnn1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 84572645 SMNNGEXIPCSKER-UHFFFAOYSA-N 376.380 0.741 0 40 GCAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCN1C(=O)CSC1=O 102399569 RJIBXFDATOWGNJ-SKLAPFLYSA-N 396.465 0.673 0 40 GCAB O=C(O)[C@@H](C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 566358204 SZTBOCKGIGZDGJ-MRXNPFEDSA-N 382.438 0.627 0 40 GCAB O=C(c1ccc(F)c(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243079 HZRKNAORMGLPMF-ZDUSSCGKSA-N 397.403 0.870 0 40 GCAB CCOC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 1897369 PBAYCGSQTTVJME-HNNXBMFYSA-N 398.297 0.982 0 40 GCAB CCOC(=O)[C@@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1 4999288 PWYPAGXBJINJHK-AAEUAGOBSA-N 375.356 0.486 0 40 GCAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CC(N)=O)CO1 9306100 GIADAGWMRYMKBQ-UHFFFAOYSA-N 386.433 0.946 0 40 GCAB Cc1ccccc1-n1nnnc1SCC(=O)NCCN1C(=O)CSC1=O 9783620 XGNZOCPMBIUGTN-UHFFFAOYSA-N 392.466 0.874 0 40 GCAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 10302425 CHLXNBPIHNJHQN-NSHDSACASA-N 375.472 0.334 0 40 GCAB O=C1C[C@H]([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)Oc2ccc(F)cc21 13266598 NUVHCFQCGBGHIM-BDJLRTHQSA-N 389.383 0.950 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 13847690 WYRODFDSMMPDPB-UHFFFAOYSA-N 386.437 0.838 0 40 GCAB O=C(CCN1C(=O)COc2ccc(Cl)cc21)NCCC(=O)N1CCOCC1 19345937 IPNFWLBJIDAXCA-UHFFFAOYSA-N 395.843 0.821 0 40 GCAB CCCCNC(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 23254266 XCTPBXPTLZMRLH-UHFFFAOYSA-N 393.532 0.979 0 40 GCAB CN(C)[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccsc1 25332484 LPUBWCANBUPZCS-AWEZNQCLSA-N 387.465 0.726 0 40 GCAB CN(CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)NCc1ccco1 40062851 CFXUAELIRHEMJE-UHFFFAOYSA-N 385.468 0.962 0 40 GCAB O=C1COC(=O)N1C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 244942666 CTYHWLYCHPRNSW-UHFFFAOYSA-N 380.300 0.937 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2ccnnc2)C3)n1 575402642 DNLFSWFNARTEKR-CQSZACIVSA-N 389.437 0.283 0 40 GCAB COc1ccc(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1 575426420 SUCMFSNSLGASPD-HNNXBMFYSA-N 392.499 0.149 0 40 GCAB C[C@H](NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)c1nc[nH]n1 583623148 UGGXCXGDHDLDOO-QWHCGFSZSA-N 394.439 0.880 0 40 GCAB COc1cccc2c1OC[C@@H](NC(=O)N1C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C1)C2 663969425 BTEFEGXZWJLFNG-UGQVUOCMSA-N 396.465 0.452 0 40 GCAB CCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C 880869 HXQCHCHNUJVFTE-UHFFFAOYSA-N 391.453 0.845 0 40 GCAB O=C(c1nc2ncccn2n1)N1CCN(S(=O)(=O)c2cccs2)CC1 2808989 DLKHTCZAPBWFJV-UHFFFAOYSA-N 378.439 0.333 0 40 GCAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCO)c2ccco2)cc1 4519024 BGLGOGNUUGGKKW-HNNXBMFYSA-N 380.422 0.328 0 40 GCAB O=C1CN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c2ccccc2N1 5870820 GRAHVVIUPWRLFT-UHFFFAOYSA-N 392.371 0.963 0 40 GCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 7425746 TXUGRKKUACZMRT-CYBMUJFWSA-N 387.440 0.912 0 40 GCAB CCSc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 9662540 OLBXCRRWBVWVGZ-UHFFFAOYSA-N 381.443 0.036 0 40 GCAB CN(c1ccc(-c2csc(NC(=O)Cn3cnnn3)n2)cc1)S(C)(=O)=O 9714416 WAFMOYTUHNLGKY-UHFFFAOYSA-N 393.454 0.831 0 40 GCAB C[C@@H](NC(=O)c1cnn(C)c1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366304 BFOJPNZQQRHTGA-RHSMWYFYSA-N 385.468 0.890 0 40 GCAB CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 13281898 NCCVHZMOURGJMA-UHFFFAOYSA-N 377.832 0.564 0 40 GCAB CN(C)C(=O)CNCC1CCC(c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 19742966 BHJJJWAPLBUHLK-UHFFFAOYSA-N 387.484 0.584 0 40 GCAB COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32639824 ADXQAJNRXXOCJP-YPMHNXCESA-N 383.495 0.858 0 40 GCAB COc1cc(C)c(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1OC 32743346 AXAOIYLADMXACR-JKSUJKDBSA-N 384.498 0.288 0 40 GCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 36358412 SKOMQYCKWXGUJU-CMPLNLGQSA-N 383.426 0.271 0 40 GCAB O=S1(=O)N=C(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c2ccccc21 36396949 FTIUAYDASUBQGD-UHFFFAOYSA-N 398.510 0.484 0 40 GCAB Cc1ccc(-c2noc(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)n2)cc1 40068169 WYSXQITWFDOESS-UHFFFAOYSA-N 397.435 0.838 0 40 GCAB O=C(CNCc1ccccn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 55095289 PMBRBTDRASATFF-UHFFFAOYSA-N 390.465 0.831 0 40 GCAB O=C(CSc1nc(CCn2ccc(=O)[nH]c2=O)n[nH]1)N1CCc2ccccc21 71195238 DLXNWLWPHJYMJR-UHFFFAOYSA-N 398.448 0.579 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)c1 72335114 NYYBSFKMQZQVKS-UKRRQHHQSA-N 393.469 0.961 0 40 GCAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12 72347014 ZATVNBZASWPHGI-STQMWFEESA-N 384.440 0.631 0 40 GCAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@@H]1OC 95941973 VJWURNDQUYMBRD-NFAWXSAZSA-N 377.484 0.869 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 95964554 AQOXZSRSOKVHMD-UHFFFAOYSA-N 398.416 0.550 0 40 GCAB CC(C)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C(N)=O 257275571 NPXUVFRRNITQNH-OAHLLOKOSA-N 385.461 0.396 0 40 GCAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1ccc(N2CCOCC2)cc1 575414484 HXAURVXNXZLPHS-MRXNPFEDSA-N 393.451 0.970 0 40 GCAB O=S1(=O)C[C@H]2N[C@H]3CS(=O)(=O)C[C@@H]3N(Cc3ccccc3Cl)[C@@H]2C1 575421539 IYSTZUSYCFDMRV-NMWPEEMBSA-N 390.914 0.076 0 40 GCAB O=C(NCCN1CCNC1=O)C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1 585101323 YCSRZNWBZMQBEZ-LJQANCHMSA-N 386.456 0.334 0 40 GCAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(N)=O)cc1 2655866 YDPHBDHJCOLOSH-UHFFFAOYSA-N 391.405 0.863 0 40 GCAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c2n(C)c1=O 4570993 KNNFQZYBTDGSDF-UHFFFAOYSA-N 377.401 0.841 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc3c(c2)OCCCO3)n(C)c1=O 4829715 RQSFNGVKXGWKKX-UHFFFAOYSA-N 385.380 0.234 0 40 GCAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 6098686 ZVIAQMARUKGWJD-GFCCVEGCSA-N 381.483 0.675 0 40 GCAB CC(=O)N[C@@]12CCN(CC(=O)Nc3nc(C)c(C)s3)C[C@@H]1CN(C(C)=O)C2 19713083 RMCRGJCZKVYMFD-CRAIPNDOSA-N 393.513 0.757 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 20049944 DJCPQWKKKXVPQJ-LBPRGKRZSA-N 395.485 0.334 0 40 GCAB O=C(CCc1ccc2c(c1)OCO2)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 40094525 IIYAHIBFMWAYGP-CYBMUJFWSA-N 382.438 0.158 0 40 GCAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 54359488 GQDXMMOQGHEPTL-MAUKXSAKSA-N 386.496 0.911 0 40 GCAB CC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 78648386 CDBXKFSVINEQBB-KRWDZBQOSA-N 379.482 0.839 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3cccnc3)C2=O)o1 79015347 MPMUGWBDPPICKQ-MRXNPFEDSA-N 378.410 0.892 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCS(=O)(=O)CC[C@@]56[C@H]2[C@H]43 104287470 FGRJPSMYCYTGIC-OFUAFVKMSA-N 397.456 0.597 0 40 GCAB COc1cccc(NC(=O)N2CCN(S(C)(=O)=O)C[C@@]3(CNC(=O)C3)C2)c1 105834626 LVLVINLHDLMTIN-KRWDZBQOSA-N 396.469 0.311 0 40 GCAB O=C(Cn1nnc2ccccc21)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206907218 ZFUUWAWHJCNHIF-UHFFFAOYSA-N 390.411 0.151 0 40 GCAB CCCCS(=O)(=O)N(C)CC(=O)Nc1c(C)nc(N2CCOCC2)nc1C 224306788 JPUFKNALQATVAS-UHFFFAOYSA-N 399.517 0.930 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@H]2CCc3ccccc32)CCO1 262953148 OYYOLIJKBLYAIL-ZBFHGGJFSA-N 396.465 0.290 0 40 GCAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1 408597946 WXWDYIOVPMXXPD-UHFFFAOYSA-N 383.514 0.756 0 40 GCAB CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1 4386236 OHQUQFHDKPJCOF-ZDUSSCGKSA-N 387.440 0.614 0 40 GCAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC[C@@H]1CCCO1 5339834 ZGYOAVBZHOOXGG-AWEZNQCLSA-N 381.454 0.769 0 40 GCAB Cc1ccc(S(=O)(=O)N(CCCN)CCCc2c(C)[nH]c(N)nc2=O)cc1 5892386 MQRVGQUIRQRARL-UHFFFAOYSA-N 393.513 0.941 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1 6509222 BPLHKJUISDPPOF-UHFFFAOYSA-N 379.394 0.678 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C1=COCCO1)n2CC 7123759 PXLJFGDQCAQUMQ-UHFFFAOYSA-N 378.385 0.638 0 40 GCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCCO)c2cc(Br)ccc21 13628036 UWFSGLMLSUATKB-LBPRGKRZSA-N 384.230 0.472 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 17815601 OXHJOVZZRGVNBD-UHFFFAOYSA-N 397.472 0.782 0 40 GCAB COc1ccc(OC)c2c(NCCNCCO)cc(NCCNCCO)nc12 31960982 JWWNFHOHMRBDPX-UHFFFAOYSA-N 393.488 0.240 0 40 GCAB COCCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826504 FKVGYOCSWLBFDK-IAGOWNOFSA-N 394.493 0.697 0 40 GCAB CCN(C(=O)CS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 32929555 OQWMYOKUZQUVDA-UHFFFAOYSA-N 388.511 0.863 0 40 GCAB COc1ccc(-c2ccc(=O)n(CN3CCN(S(C)(=O)=O)CC3)n2)cc1 72403316 SYZVGPRJJDJBMG-UHFFFAOYSA-N 378.454 0.454 0 40 GCAB CC(C)NC(=O)CN(C)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 89936720 VVARBSOWZCPDOQ-GASCZTMLSA-N 390.550 0.261 0 40 GCAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)O1 95460105 BKLGKPXWFOZDSJ-UKRRQHHQSA-N 383.470 0.059 0 40 GCAB Cn1cc(CN2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccncc2)S4(=O)=O)O3)cn1 96037204 DJELLZZAYJLFMG-SQNIBIBYSA-N 389.481 0.373 0 40 GCAB COCC(=O)N[C@@H]1CCC[C@@H](C(=O)NCc2cc(C)on2)CC(=O)N(C)C1 96113323 UMYPPMZBGJPNMD-ZIAGYGMSSA-N 380.445 0.379 0 40 GCAB biogenic,in-vitro Cc1cc(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc(=O)o1 206971592 IJGZRQXZJAOYHF-UHFFFAOYSA-N 398.481 0.990 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1Cl 223483340 YDRSUDHMHSXUJG-UHFFFAOYSA-N 387.889 0.826 0 40 GCAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224568591 KSSXFIMZGNRFNR-SNVBAGLBSA-N 389.424 0.843 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ncn(C)n2)O1 585108757 WZJDYWZBIBCNHY-BZUAXINKSA-N 384.440 0.631 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2cn[nH]c2)CC1 585294330 YVXZJOZYLFMUGS-UHFFFAOYSA-N 378.429 0.444 0 40 GCAB CN1C[C@H](C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)CC1=O 585594124 TWDJEKQFCWKQAZ-CYBMUJFWSA-N 383.456 0.517 0 40 GCAB Cc1cc(N2CCN(c3nccn4nccc34)CC2)nc(N2CCOCC2)n1 1889149401 QMXPWDDMRLTIEH-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB CC(=O)N[C@H]1C[C@H]2CN(Cc3ncccc3C)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332241977 AMLVHEGSTRKYOR-LNLFQRSKSA-N 399.495 0.206 0 40 GCAB CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccn(C)n3)C2)c(C)n1 2809245 NYGFONFKNGDVNG-ZDUSSCGKSA-N 380.474 0.984 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCc1ccccn1 11904599 RAXMVOQSIFULQS-UHFFFAOYSA-N 395.462 0.935 0 40 GCAB CC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2CCN1CCOCC1 13629162 QWXVEBOQXVZRLE-UHFFFAOYSA-N 381.454 0.060 0 40 GCAB CN1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19589748 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CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 102251783 LNYYHMZZCUWPJN-VTPLQMEGSA-N 378.429 0.965 0 40 GCAB CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 257336287 YNTXOQBPAQGRPF-HAQNSBGRSA-N 381.454 0.473 0 40 GCAB C[C@@H](Oc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)N1CCOCC1 408605764 NKHCJVZTHNMMJZ-ZBFHGGJFSA-N 398.481 0.770 0 40 GCAB C[C@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 575615976 MITZUEXUODFBIC-AWEZNQCLSA-N 396.513 0.498 0 40 GCAB CS(=O)(=O)c1ccc(OCCCO)c(NS(=O)(=O)C[C@@H]2CCCO2)c1 585138489 VWGNDPYWBOXXPH-LBPRGKRZSA-N 393.483 0.772 0 40 GCAB O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(CN2CCN(c3ncccn3)CC2)C1 585290709 UPTKRGPXIBJCQS-NQIIRXRSSA-N 397.479 0.237 0 40 GCAB Cn1ccnc1[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1NC(=O)C1CC1 1615551658 YHIAVZMERAAVHW-HZPDHXFCSA-N 393.451 0.686 0 40 GCAB COCCN1C(=O)[C@H]2CN(C(=O)c3c(C)noc3C)CCN2C12CCOCC2 1772595369 PYQKCAUBGVSUKF-OAHLLOKOSA-N 392.456 0.413 0 40 GCAB OC[C@H]1O[C@@H](Cc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 1857775663 WQXGYLUABGFDNI-QGLKVJOYSA-N 388.416 0.653 0 40 GCAB Cc1cccc(Cn2c(SC[C@@H](O)CO)nc3c2c(=O)[nH]c(=O)n3C)c1 839520 MECHKYLMRXSALE-LBPRGKRZSA-N 376.438 0.225 0 40 GCAB biogenic,in-vitro Cn1c(=O)n(CCO)c(=O)c2c1nc(Br)n2Cc1ccccc1 894430 VYBQCZVGJMUWRL-UHFFFAOYSA-N 379.214 0.700 0 40 GCAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccc(S(N)(=O)=O)cc1 2415884 NCLDUAMXEMDHNL-LBPRGKRZSA-N 375.472 0.428 0 40 GCAB COc1cc2[nH]c(O)c(C(=O)NCCCN3CCOCC3)c(=O)c2cc1OC 5884903 ZIHWZDVTQODPSS-UHFFFAOYSA-N 391.424 0.703 0 40 GCAB CC1(C)Cc2c(sc3[nH]c(=O)n(CC(=O)NC[C@@H]4CCCO4)c(=O)c23)CO1 8739079 RTWLUSHRFBYNSN-JTQLQIEISA-N 393.465 0.898 0 40 GCAB Cn1cccc1[C@@H]1CCCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 9910408 RMYNCIOYFCBDEN-AWEZNQCLSA-N 380.470 0.729 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 12131240 WYPANGDBBIBPBM-STQMWFEESA-N 398.876 0.995 0 40 GCAB CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12187874 RPUBGARDUAGAMD-LLVKDONJSA-N 388.467 0.981 0 40 GCAB O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CN1Cc1ccccc1 16047033 NPPDCJFKTWUGHH-MSOLQXFVSA-N 385.464 0.885 0 40 GCAB O=C1C[C@@H](C(=O)NCc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2N1 19374887 NHRDLBIWTUZREB-CQSZACIVSA-N 383.408 0.349 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 25204380 JXXZNPGVDPJXMQ-QGZVFWFLSA-N 397.497 0.809 0 40 GCAB CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C(=O)OCC)C3)[nH]c(=O)c21 36069592 FDEXWYYJXFRXPA-WDEREUQCSA-N 391.428 0.111 0 40 GCAB O=c1cc(CO)oc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1O 71282390 UCBVMSQUJFRBST-UHFFFAOYSA-N 398.412 0.483 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@]1(O)CCOc2ccccc21 77100013 WABDGRCIAIJMKF-FQEVSTJZSA-N 384.388 0.818 0 40 GCAB COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H]3CCc4cn[nH]c4C3)C2)cc1 89453881 RYYLJPXPCAIZTM-GFCCVEGCSA-N 390.465 0.713 0 40 GCAB Cc1cc(Cn2c(=O)c(C)cn([C@@H]3C[C@H](O)[C@H](CO)O3)c2=O)c2ccccc2n1 95977938 HVDOYRQARCIKRC-FHWLQOOXSA-N 397.431 0.864 0 40 GCAB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 140931867 ATIBUXGRTDBRFJ-GNTOHDJUSA-N 384.388 0.984 0 40 GCAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@H](C)N[C@H](C)C3)n2N)C[C@@H](C)N1 225149893 SPZVINZIPQHRFR-USTZCAOPSA-N 392.596 0.222 0 40 GCAB C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N1C(=O)CCCc2ccccc21 227169053 ZXFSGCHJGLSJBW-AWEZNQCLSA-N 379.482 0.848 0 40 GCAB C[C@H]1CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)c1cscn1 565314792 VNMAHAKIAHUVEQ-NWDGAFQWSA-N 386.499 0.528 0 40 GCAB COCCn1ccc(C(=O)N2CC3(CC[C@H](CN4CCCC4=O)CO3)C2)n1 575405038 QQBIKVZEEBBEKH-OAHLLOKOSA-N 376.457 0.773 0 40 GCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2cnc(C(F)(F)F)nc2)C1 624331238 SKGSDTMMHSFWHF-SNVBAGLBSA-N 395.407 0.966 0 40 GCAB CN1c2nn(CC3CC3)c(=O)c(=O)n2CC12CCN(C(=O)C1(F)CC1)CC2 1565547834 OEODQMRQXNQTKU-UHFFFAOYSA-N 377.420 0.128 0 40 GCAB Cc1nc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nc(O)c1F 1888891071 WUARUEREUDHISW-UHFFFAOYSA-N 387.371 0.886 0 40 GCAB COCCNC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160444 CVZULYADYOEAQN-UHFFFAOYSA-N 393.465 0.962 0 40 GCAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4303948 JAZXCCHPMLFJAE-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB CCOC(=O)N1CCN(C(=O)CSc2nc(=O)n3ccccc3n2)CC1 4499719 DNIFHNUDTCYXQS-UHFFFAOYSA-N 377.426 0.482 0 40 GCAB CCOC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5102954 LFFKIJGKRUUMSK-LLVKDONJSA-N 392.364 0.627 0 40 GCAB OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(OCc1ccccc1)OCc1ccccc1 5699609 YMTLBGVCGZMOLY-AKHDSKFASA-N 378.421 0.182 0 40 GCAB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC(N)=O 8477417 HJBUQVJCPWELTK-MDWZMJQESA-N 387.392 0.964 0 40 GCAB CN(C(=O)CSc1nnnn1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 9647785 VFTPZTWJOSTGBA-SNVBAGLBSA-N 387.512 0.521 0 40 GCAB O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccnc1 12362062 UKZBVCWNVNYFIW-UHFFFAOYSA-N 388.449 0.917 0 40 GCAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12593833 PODBPYVXASOWHQ-UHFFFAOYSA-N 387.421 0.505 0 40 GCAB COCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccccn3)nc2C)CC1 12741687 KFSHDLPFDJFUJB-UHFFFAOYSA-N 391.453 0.326 0 40 GCAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 14318919 HZPBKUHEXDJREJ-GFCCVEGCSA-N 388.511 0.939 0 40 GCAB Cc1cc(=O)nc(-n2nc(C)c(CCC(=O)NCCN3CCOCC3)c2C)[nH]1 16849567 MYDSVJTYOPIEQE-UHFFFAOYSA-N 388.472 0.262 0 40 GCAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(NC)n2)CNCC3)C1 19711494 NTDPVAXTKCVHRI-CYBMUJFWSA-N 382.534 0.930 0 40 GCAB CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1N)CC[C@@H](C)C3 19797050 HFVNJZSGZRQTDD-SSDOTTSWSA-N 381.483 0.844 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(=O)OC 21925275 KQAKGWPIEYUJTQ-PELKAZGASA-N 391.346 0.670 0 40 GCAB O=C1CN(c2ccc(NC(=O)c3ccc(Cn4cncn4)cc3)cn2)CCN1 31718325 HUNBSNQIVDYVRD-UHFFFAOYSA-N 377.408 0.910 0 40 GCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1 47891480 LDEMIDVEGJBFQG-ZDUSSCGKSA-N 381.458 0.762 0 40 GCAB CCS(=O)(=O)NCCNC(=O)c1nnn(-c2cccc3ncccc23)c1C 66770264 DTWLCWKNWDEQAD-UHFFFAOYSA-N 388.453 0.793 0 40 GCAB CCNC(=O)CCNS(=O)(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1C 95116968 SBADORJHQXNDBU-UHFFFAOYSA-N 391.515 0.504 0 40 GCAB O=C(O)COc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4ccnc4cn3)C2)c1 257277003 NWAXWEVQVQXXDT-PBHICJAKSA-N 396.403 0.868 0 40 GCAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 585112149 JFEYNMOFISUMEE-CQSZACIVSA-N 378.458 0.261 0 40 GCAB Cc1cc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)nn1-c1ccccc1 585123621 ODHODFCMBYZSFT-OAHLLOKOSA-N 393.469 0.963 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NCCn1nc2c(cc1=O)CCCC2 585407924 PMNUYAVNJCCYKH-UHFFFAOYSA-N 397.478 0.949 0 40 GCAB Cc1nc(S(=O)(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cn1C 1549161670 IVMSDPTVERPBLP-UHFFFAOYSA-N 376.438 0.836 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3cc(-n4cccn4)ncn3)CC2)C[C@H](C)O1 2086886923 DNPWMYRXHYJHAH-HOTGVXAUSA-N 385.472 0.420 0 40 GCAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CC1 2492530 YYKDXDPLSANFHX-OAHLLOKOSA-N 398.297 0.414 0 40 GCAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 5059470 IONAMJLOEPGMSZ-ZDUSSCGKSA-N 386.470 0.867 0 40 GCAB Cc1ccccc1Cn1c(SCc2nnn[nH]2)nc2c1c(=O)n(C)c(=O)n2C 9130706 KMFKUFUPNDEECK-UHFFFAOYSA-N 398.452 0.596 0 40 GCAB O=C(CSc1nnc2n1CCCCC2)NC(=O)N[C@H]1CCS(=O)(=O)C1 9729436 IQEDXWBMWWCNRP-JTQLQIEISA-N 387.487 0.110 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)[C@@H]2CCCNC2)C[C@@]12CCc1ccccc1C(=O)N2 12124911 ARQGZHVMUPDOPX-CDMIOBSGSA-N 398.507 0.648 0 40 GCAB CCCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC(=O)OC)c(=O)n2C 12231580 DFJAKILPSFOAMQ-UHFFFAOYSA-N 388.428 0.672 0 40 GCAB COCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694944 NDZVJXKVVMCCAO-MRXNPFEDSA-N 399.451 0.855 0 40 GCAB CC(=O)NCC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(C)=O)c2)CC1 19698044 AJAWKPDFTLBPGH-IBGZPJMESA-N 387.484 0.858 0 40 GCAB O=C1CN(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)N1 25612479 MGLXLQBRNAHAQB-UHFFFAOYSA-N 377.360 0.641 0 40 GCAB CO[C@@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@@H](NC(=N)N[N+](=O)[O-])[C@H]1OS 50446514 CSBCQUWSSICCAO-OBPIAQAESA-N 386.386 0.102 0 40 GCAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cnn(-c2ccccc2)n1 71892625 REDQGOLZWDGWPG-IRXDYDNUSA-N 389.481 0.649 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 96377004 WSFGPRZRRDKIID-HWKANZROSA-N 394.449 0.580 0 40 GCAB Cn1ccnc1COc1ccc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cc1 257206701 BEPVAJLQLNKYEQ-HZPDHXFCSA-N 380.470 0.093 0 40 GCAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 262221620 RAMCCTHMXRUCEC-GFCCVEGCSA-N 387.392 0.308 0 40 GCAB COc1cc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc(C(=O)O)c1OC 298859884 PCHPOBFLIQBNHY-UHFFFAOYSA-N 386.426 0.645 0 40 GCAB COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3ccc(C)s3)C[C@@H]1C2 306138846 SJCPVYMTTPNHKK-STQMWFEESA-N 389.481 0.969 0 40 GCAB O=C(c1cccnc1)N1CC2(CN(Cc3cccnc3)C[C@@H]3C[C@@H](O)CN32)C1 514288458 AIHNUGGQLGXWJE-RBUKOAKNSA-N 379.464 0.622 0 40 GCAB biogenic,in-vitro CCO[C@H](CS(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)C1CC1 625211971 XQLDUPURAHGRNU-QLFBSQMISA-N 378.466 0.403 0 40 GCAB CC(=O)NC[C]1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1 1560407427 ANKLVDXNQZSQCX-UHFFFAOYSA-N 393.395 0.091 0 40 GCAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(S(=O)(=O)N(C)C)C1 2055746415 ZSGDRQZXFDZHIF-INIZCTEOSA-N 388.465 0.251 0 40 GCAB COc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1OC 3428784 GEMUMOJCPPJACL-UHFFFAOYSA-N 385.424 0.572 0 40 GCAB CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cc(C)ccc1C 4357570 NUAZENRPLIFPNL-MRXNPFEDSA-N 397.497 0.683 0 40 GCAB O=S(=O)(CCN1CCCCC1)CCS(=O)(=O)CCN1CCCCC1 4428719 RVRMYCMUVKWTKZ-UHFFFAOYSA-N 380.576 0.788 0 40 GCAB O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864230 MWIONQVOVVZCHZ-MRXNPFEDSA-N 380.514 0.450 0 40 GCAB Cn1cc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(=O)n(C)c1=O 14019995 QTFGQBAKKWXXCK-UHFFFAOYSA-N 389.433 0.595 0 40 GCAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034104 IRPYICWEKOXUOT-BGOINQCCSA-N 375.400 0.725 0 40 GCAB CN(Cc1ccccc1F)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21196719 ABXODZZHYMNBGM-CYBMUJFWSA-N 381.429 0.950 0 40 GCAB COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)c1ccccc1 23115245 WNGAGVMTOZESTE-CQSZACIVSA-N 387.440 0.616 0 40 GCAB CCn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c(C)n1 36006492 GOJHKTMJKLJMBO-UHFFFAOYSA-N 397.545 0.967 0 40 GCAB C[C@H](NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)C(=O)N1CCOCC1 58231970 RJNOYODCVBDHFS-KBPBESRZSA-N 375.425 0.554 0 40 GCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc(-n2cccn2)ccc1=O 70655902 CBYQWKQPWBQWAT-LLVKDONJSA-N 388.409 0.276 0 40 GCAB O=C(C1=Cc2ccccc2OC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 72346913 DSPCLZKAODSLHD-UHFFFAOYSA-N 394.431 0.967 0 40 GCAB CCOC(=O)/C=c1/s/c(=C/c2cccs2)c(=O)n1CC(=O)NCC(C)C 105764044 RJGIUCHXIXYWRJ-JTHWEQIXSA-N 394.518 0.916 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cccc(O)n3)CC2)CC1 257291251 QGGFHGDENOGTRZ-HXUWFJFHSA-N 390.484 0.745 0 40 GCAB CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1cccc3c1OCC3)C2 518355469 QWKSOOIPAXTSGJ-HOTGVXAUSA-N 393.509 0.983 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1cc(-c2ccccc2F)on1 585123642 TYULRUCCMVSZQX-LLVKDONJSA-N 398.416 1.263 0 40 GCAB CC(C)(C)[C@@H](NC(N)=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 617418660 AIRJATRMWUWCHE-ZNMIVQPWSA-N 386.452 0.713 0 40 GCAB O=C(O)Cn1cnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 647782307 FYDXUDLPHPBYSP-GFCCVEGCSA-N 375.360 0.993 0 40 GCAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)N1 1215611709 WBCBHRMEWVBDPA-OCAPTIKFSA-N 398.297 0.773 0 40 GCAB Cc1nc2ccccn2c1C(=O)N1CC[C@H]2OCCN(S(C)(=O)=O)[C@@H]2CC1 1565553742 DFJMKBWKSFFGBG-HUUCEWRRSA-N 392.481 0.908 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(S(=O)(=O)c2cccs2)CC1 4276591 KDZVFUATCDSMJF-LBPRGKRZSA-N 392.524 0.452 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1OC 4813816 HYFVWXLALNVAJK-AWEZNQCLSA-N 398.481 0.963 0 40 GCAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC1)O2 19219101 KGFAFHQTOKGVGV-CQSZACIVSA-N 392.477 0.913 0 40 GCAB CCCCn1c(N)c(N(CC)CC(=O)NC(=O)NCC(C)C)c(=O)[nH]c1=O 21386580 KDGJKWGRUBWKAR-UHFFFAOYSA-N 382.465 0.227 0 40 GCAB COCc1ccccc1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23132397 GNVHGWVXRTYZQQ-HNNXBMFYSA-N 393.465 0.615 0 40 GCAB OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@H]1O 38322005 RUOKEYJFAJITAG-JTHNCSCQSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 70815580 ZERQPKKNTQTDJT-UHFFFAOYSA-N 389.408 0.788 0 40 GCAB C[C@H](NC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)c1nncn1C 95444196 ORQZOCUADYWOFK-STQMWFEESA-N 381.481 0.726 0 40 GCAB NC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 96144781 HFSBLKHHCGARBJ-CQSZACIVSA-N 376.438 0.447 0 40 GCAB Cn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 102247914 HBLOJSVIZRGKLI-FQUUOJAGSA-N 388.380 0.760 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cnn(-c2ccccc2)n1 225804908 CMIXLZGRQPCSBK-UHFFFAOYSA-N 382.405 0.762 0 40 GCAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 257243862 IIXHMFOESVETDQ-FQEVSTJZSA-N 394.435 0.709 0 40 GCAB O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(nn(Cc3ccccc3)c(=O)c1=O)CO2 306133838 MXQLGCVSBMOBGW-HXUWFJFHSA-N 382.420 0.365 0 40 GCAB O=C([C@@H]1CCCS1(=O)=O)N1CC[C@]2(COCc3cnc(NC4CC4)nc32)C1 306138264 RTTKVNNCKBFNSF-KBXCAEBGSA-N 392.481 0.628 0 40 GCAB O=c1/c(=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2 881386 DBRMYWKPLOTMAY-XNTDXEJSSA-N 389.458 0.443 0 40 GCAB COc1ccc(C)cc1-n1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4303990 LKUIXFBPUOBPLI-UHFFFAOYSA-N 396.407 0.249 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 6318097 GOFCPYKUMJBHBH-PBHICJAKSA-N 390.417 0.531 0 40 GCAB biogenic CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COC(C)C)CC1 7425546 FQAJWKQVICKKOU-CYBMUJFWSA-N 379.461 0.446 0 40 GCAB NC(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9479092 YFXWNVRNKPDINS-UHFFFAOYSA-N 394.497 0.457 0 40 GCAB CC1=NN(CCNc2ccccc2F)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 10108774 WAHLEWZJOACBMP-UHFFFAOYSA-N 385.403 0.881 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1OC 10809762 UDJWWNLWSOLVGU-UHFFFAOYSA-N 394.453 0.433 0 40 GCAB Cc1nnc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)s1 13563148 SXHCNVMHPPJITH-UHFFFAOYSA-N 386.372 0.915 0 40 GCAB O=C(O)CCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 20714571 SHYLKGUQIWFCJG-UHFFFAOYSA-N 384.439 0.389 0 40 GCAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23317464 JJIZGYOUUFBZBT-ZIAGYGMSSA-N 379.482 0.964 0 40 GCAB C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc(S(N)(=O)=O)cc1 23481530 HOBQJCLKISEIGY-NSHDSACASA-N 377.422 0.689 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(N2CCCC2=O)cc1 25025577 UFOFIRNXQNYVCU-HNNXBMFYSA-N 389.408 0.082 0 40 GCAB O=C(CNC(=O)Cc1ccccc1)NCCNS(=O)(=O)Cc1ccccc1 29418465 AOUITJTYFNVFDC-UHFFFAOYSA-N 389.477 0.581 0 40 GCAB C[C@H](NCC(=O)NCCN1C(=O)CSC1=O)c1ccc2c(c1)OCCO2 49597309 KNQIJDKWFINABK-NSHDSACASA-N 379.438 0.920 0 40 GCAB COCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 83902646 JAQGCHBKEPKLEX-UHFFFAOYSA-N 397.497 0.820 0 40 GCAB Cn1cc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c(=O)n(C)c1=O 640331845 GLLYBLCZGMODJQ-NSHDSACASA-N 379.367 0.763 0 40 GCAB CC[C@@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCNC1=O 643559719 FSUGAUOBTAFTKX-FFSVYQOJSA-N 391.424 0.299 0 40 GCAB CCN(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 3412061 YJOAFGCEXZZYLA-WFASDCNBSA-N 383.422 0.405 0 40 GCAB COc1cc2c(cc1OC)[C@@H](c1c(O)n(C)c(=O)n(C)c1=O)N(C(C)=O)CC2 4029811 YVTMUWXSKACLLR-INIZCTEOSA-N 389.408 0.301 0 40 GCAB biogenic CCN(C(=O)COC(=O)c1cc(=O)c2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 6144837 IEZZAXZEKUHEEJ-GFCCVEGCSA-N 393.417 0.985 0 40 GCAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(N)=O 12851884 CGEJOOGBWDMBOJ-LLVKDONJSA-N 398.437 0.276 0 40 GCAB O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCS(=O)(=O)C1 15372388 UHSNKZNXQCKLNF-LBPRGKRZSA-N 389.271 0.872 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 21760261 XXOYMOQRLNXVDD-UHFFFAOYSA-N 376.504 0.194 0 40 GCAB CCc1ccc(C(=O)N2CCN(CCS(=O)(=O)CCC(N)=O)CC2)cc1 23147984 RGYYLTNFGMUBRU-UHFFFAOYSA-N 381.498 0.297 0 40 GCAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3cccnc3-n3cccn3)nc21 31227026 DBKGQWHAODLRMS-UHFFFAOYSA-N 377.364 0.133 0 40 GCAB CN(C)C(=O)CCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(CO)cc23)CC1 32104516 BPODAKYRQJPTEZ-LJQANCHMSA-N 388.468 0.882 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 40034488 JWONAVJZGLBFIM-UHFFFAOYSA-N 387.546 0.809 0 40 GCAB Cc1ccc(-c2noc(CN3CCN(C(=O)CNS(C)(=O)=O)CC3)n2)cc1 40158133 KZSCKOHGYVYQBB-UHFFFAOYSA-N 393.469 0.238 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 40160861 RDLDAMQPPKFUHU-GFCCVEGCSA-N 387.433 0.793 0 40 GCAB O=C(Cc1ccc(-n2cccc2)cc1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 43059966 UMFWRIKMSKMCDC-INIZCTEOSA-N 389.477 0.829 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1ccc(F)cc1 49410590 UWTPNYHXXZKYIN-UHFFFAOYSA-N 395.412 0.647 0 40 GCAB COc1ccc([C@@H]2C[C@H](C(=O)N3CCN(C)CC3)N(C)S(=O)(=O)N2)cc1 72389498 QNYKSWWVNIWJRX-JKSUJKDBSA-N 382.486 0.049 0 40 GCAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(-n2cncn2)nc1 96307043 WOUYJNBUBSYFQO-GJZGRUSLSA-N 382.424 0.844 0 40 GCAB CCCCCCn1cc(S(=O)(=O)Nc2nccn(C)c2=O)c(=O)[nH]c1=O 97143770 GRXYMBMLQXCALL-UHFFFAOYSA-N 383.430 0.011 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1cccnc1 225382647 FMKMOQDLKGLPQW-MSOLQXFVSA-N 393.447 0.035 0 40 GCAB biogenic,in-vitro COc1cccc(CNC(=O)c2cn3c(nc2=O)C[C@]2(CCN(C(C)=O)C2)C3)c1 306126672 FBRJWGFGYIBLTJ-NRFANRHFSA-N 396.447 0.977 0 40 GCAB CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@H]21 581443542 DOFBKVLOGFWOTD-HZPDHXFCSA-N 387.440 0.675 0 40 GCAB CCc1cc(N2CCC(NC(=O)N3C[C@@H](O)C[C@H](C(=O)OC)C3)CC2)ncn1 591974918 FCXDUFJSBSDTMP-BBRMVZONSA-N 391.472 0.573 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 2424783 ZSBKBSQTORLBAV-HNNXBMFYSA-N 377.422 0.829 0 40 GCAB NC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3325262 JAAZNWOORLWRGM-UHFFFAOYSA-N 388.357 0.416 0 40 GCAB NC(=O)C1CCN(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 4677700 MGFPOFPSAARDRA-UHFFFAOYSA-N 390.459 0.978 0 40 GCAB CCOC(=O)Cc1csc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 5014567 MOWOVDIDUCBDRU-VIFPVBQESA-N 378.497 0.644 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)NCCOc2ccccc2F)n(C)c1=O 8725244 GUKZQZQEHNDBND-UHFFFAOYSA-N 389.387 0.158 0 40 GCAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(OCC(N)=O)cc1 12884067 HDOJCLGNAJFKHM-UHFFFAOYSA-N 391.449 0.731 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12914894 KGIRQKDERLTAJK-GFCCVEGCSA-N 393.421 0.197 0 40 GCAB Cc1nc(Cc2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cs1 13164395 JXPXTIRZYCBBIP-VIFPVBQESA-N 388.496 0.821 0 40 GCAB COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N(C)C 13941792 XDRVDSWYUNUZPZ-UHFFFAOYSA-N 385.486 0.398 0 40 GCAB Cn1c(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(=O)n(C)c1=O 14329546 BYTWWYPHLKFVLC-UHFFFAOYSA-N 399.447 0.950 0 40 GCAB CCN1CCN(C2=NC(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)N2)CC1 14606958 WOJLTIZHKBBLLA-CQSZACIVSA-N 387.440 0.278 0 40 GCAB O=C(CCn1cncn1)NCc1ccccc1S(=O)(=O)N1CCOCC1 24028096 LVMBIYLWPIROGA-UHFFFAOYSA-N 379.442 0.006 0 40 GCAB Cc1ccc(Cl)c(OCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 25204403 GGYNQUIQIPJYAT-UHFFFAOYSA-N 375.878 0.978 0 40 GCAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 58244479 DFXVPIXAWZBQFN-KRWDZBQOSA-N 376.369 0.071 0 40 GCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)NCc1cccs1 72348073 GIFJRBGODQYGSJ-UHFFFAOYSA-N 380.433 0.992 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1 95457652 RHQZFTSBJWLCRD-NWDGAFQWSA-N 384.454 0.973 0 40 GCAB O=C(NCCCN1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225560416 WZNLEANWBDUOTG-UHFFFAOYSA-N 381.498 0.923 0 40 GCAB O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 299045276 DWCKYMHJLSMGNY-LSDHHAIUSA-N 382.438 0.833 0 40 GCAB COc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1C(N)=O 390832081 XBWZPDYJEPKMDQ-GFCCVEGCSA-N 391.453 0.899 0 40 GCAB O=C(NCCCO)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709496 BTOVLAITVORPEZ-UHFFFAOYSA-N 399.403 0.782 0 40 GCAB Cn1nccc1CCC(=O)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 585274089 VVXRDZXJRUIMRE-UHFFFAOYSA-N 380.451 0.771 0 40 GCAB Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)C2)cn1 1775966190 UEYKWCXERWQLNY-CYBMUJFWSA-N 378.454 0.853 0 40 GCAB COc1ccccc1-c1ccc(=O)n(C2CN(c3cc(=O)n(C)c(O)n3)C2)n1 1775974762 OSLQJBJJIHNNFS-UHFFFAOYSA-N 381.392 0.780 0 40 GCAB COC1(C)CCN(C(=O)[C@H]2C[C@@]3(CO2)CN(Cc2cnc[nH]2)CCO3)CC1 2056226466 RXBWCMJYAMVNNM-APWZRJJASA-N 378.473 0.797 0 40 GCAB Cc1cc(N2CCN(CC3(O)CCOCC3)CC2)nc(N2CCOCC2)n1 2298188616 OPZABJONCNPZEI-UHFFFAOYSA-N 377.489 0.285 0 40 GCAB CC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(=O)O 5663233 XMBALOPFHUNRAP-OAHLLOKOSA-N 379.413 0.789 0 40 GCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(N2CCOCC2)nc1 12933653 XFNLZVVAMFSJPJ-UHFFFAOYSA-N 382.428 0.736 0 40 GCAB Cc1csc2nc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc(=O)n12 22785916 IHTHBHICGSYTAG-AWEZNQCLSA-N 382.511 0.369 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 23054722 VJPIDXRMEAIMDM-UHFFFAOYSA-N 393.465 0.946 0 40 GCAB COC(=O)/C=C/c1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 29697077 AZMLFADEMDEQNQ-HZRUHFOJSA-N 397.449 0.906 0 40 GCAB O=C(CN1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1)NC1CC1 32934602 BKDPYGCTQRLNBX-UHFFFAOYSA-N 379.482 0.643 0 40 GCAB O=C(NCc1cccnc1-n1cncn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47122395 LQYLYBSVGWFKNX-OAHLLOKOSA-N 377.408 0.722 0 40 GCAB CN1CCO[C@@H](CNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 96005436 JZQDCJOXQVXCTE-AWEZNQCLSA-N 387.889 0.414 0 40 GCAB COc1ccc(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c(OC)c1 575426672 YBQZEONAICZNIA-OAHLLOKOSA-N 392.499 0.230 0 40 GCAB Cn1cc(C(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)nn1 1775968791 WHAGMDLTNXZDQM-UHFFFAOYSA-N 381.444 0.873 0 40 GCAB O=C(OCC(=O)N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3370687 YEMZYGVTRCUBSE-UHFFFAOYSA-N 382.438 0.487 0 40 GCAB COCCNC(=O)Cn1cnc2c(nnn2-c2ccc(C)c(Cl)c2)c1=O 4341864 IZPRAUHKJALFAB-UHFFFAOYSA-N 376.804 0.702 0 40 GCAB Cn1c(=O)n(CC(=O)NCCCCN)c(=O)c2c3c(sc21)COC(C)(C)C3 6759549 YJCCNFOAZINIOH-UHFFFAOYSA-N 394.497 0.468 0 40 GCAB Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12444893 WDGPSGKKNNEAIV-UHFFFAOYSA-N 389.481 0.667 0 40 GCAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)ncc2C1 19018156 ZNQMXBUWYGICHQ-WMLDXEAASA-N 385.468 0.913 0 40 GCAB Cn1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 32771475 RSVUTNYLMYSBHG-UHFFFAOYSA-N 375.497 0.782 0 40 GCAB CC[C@H](C)NC(=O)COC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC 32911236 HFQRKCNEBAIGSA-VIFPVBQESA-N 382.413 0.558 0 40 GCAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 32912705 BPCRVZKDKWDYFO-UHFFFAOYSA-N 397.501 0.337 0 40 GCAB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnn1-c1nccs1 49032391 KJRKCBMUMYXTHU-UHFFFAOYSA-N 392.466 0.652 0 40 GCAB O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1c(F)cccc1F 96097968 ZEGXGIKUSIYVPD-UHFFFAOYSA-N 382.352 0.081 0 40 GCAB CC(=O)N1CCN([C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1 257202383 ALMWITMFQDLKMT-PMACEKPBSA-N 377.485 0.157 0 40 GCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(c3)COC4)C2)CN1CC1CC1 575406950 ZARQMMSKUNCIRK-GOSISDBHSA-N 385.464 0.768 0 40 GCAB CN1CCN(C(=O)Cn2ccc(NC(=O)[C@H]3CC[C@@H](c4ccccc4)O3)n2)CC1 585083556 DJWSHRFSXVTCLQ-ZWKOTPCHSA-N 397.479 1.516 0 40 GCAB CN(C)CCCNC[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 585285233 POIGYLVYEMHRKC-HKUYNNGSSA-N 383.920 0.748 0 40 GCAB C[C@H]1Cc2cc(C(=O)NCc3nc(C(N)=O)cs3)ccc2N1S(C)(=O)=O 618945085 PTNCMAPIOIXINN-VIFPVBQESA-N 394.478 0.883 0 40 GCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)c1csnn1)C2 1565547563 LBJQQDZLAOWQMQ-SNVBAGLBSA-N 378.458 0.529 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)N5CCOCC5)C[C@H]4C3)n1)CCC2 1888900785 CPNMVTMELILHPY-GASCZTMLSA-N 393.513 0.219 0 40 GCAB O=C(c1ccccn1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243024 CPXOJALLMARYQL-ZDUSSCGKSA-N 380.401 0.126 0 40 GCAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363954 SQXRRWYTLGTING-LBPRGKRZSA-N 376.442 0.342 0 40 GCAB COc1cccc(-c2nc(SCC(=O)O)c3c(=O)n(C)c(=O)n(C)c3n2)c1 4341365 NCXXXDNEKIUQLH-UHFFFAOYSA-N 388.405 0.880 0 40 GCAB COc1ccc(OCCOC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 5360947 VJNDYHNBHCXTAG-UHFFFAOYSA-N 388.380 0.065 0 40 GCAB CS(=O)(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440319 SQPYOHUCBSPNES-CAOSSQGBSA-N 394.428 0.779 0 40 GCAB biogenic,in-vitro CC[C@H](CO)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219659 MVEBMQLQBWAUET-LLVKDONJSA-N 392.437 0.126 0 40 GCAB C/C=C/C1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1 11592641 WDLWHQDACQUCJR-JQAPWBFTSA-N 389.433 0.707 0 40 GCAB Nc1c(C(=O)CSc2nncn2Cc2ccco2)c(=O)[nH]c(=O)n1C1CC1 12884871 WQIGWDXJIYTMMK-UHFFFAOYSA-N 388.409 0.662 0 40 GCAB CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 12888486 LILPFLYCSVCBQC-ONERCXAPSA-N 392.412 0.130 0 40 GCAB biogenic COc1ccc(OC)c(NC(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 20427569 BWNLXQHCHMLGMA-UHFFFAOYSA-N 399.469 0.526 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCNC(=O)C2(C)C)cc1 21009729 WAUQUFYLPHSPML-HNNXBMFYSA-N 379.482 0.885 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)C1=O 26854259 HMRULXFFLBDDRO-GOSISDBHSA-N 376.413 0.641 0 40 GCAB O=C(O)CCN(CCCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O 31840936 JTXZHPKWMAQJBH-UHFFFAOYSA-N 376.406 0.269 0 40 GCAB CC(=O)O[C@@H]1CO[C@H](n2ncc(=S)nc2O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 35242172 NZFFGFFXGOVKBU-JHEVNIALSA-N 387.370 0.037 0 40 GCAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H]1Cn2ncnc2NC1=O 40386843 DQBLXXWLTFJEKZ-SECBINFHSA-N 389.368 0.679 0 40 GCAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 49468402 WJWSBNNSJZVDTM-UHFFFAOYSA-N 377.422 0.981 0 40 GCAB CN(c1ccccc1C(=O)N1CCN(c2ncccn2)CC1)S(C)(=O)=O 55413248 RKCIKBSHDLWBIF-UHFFFAOYSA-N 375.454 0.835 0 40 GCAB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)OCO2 102352635 XZNJRBWBXFWFNJ-STQMWFEESA-N 386.360 0.848 0 40 GCAB Nc1nc2c(c(I)cn2[C@@H]2CC[C@@H](CO)O2)c(=O)[nH]1 147313123 KJNOBXXCZQLWLF-FSPLSTOPSA-N 376.154 0.581 0 40 GCAB Cc1ccc(OCC(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)cc1 248005026 GCGKYLKYLLZALJ-HNNXBMFYSA-N 378.454 0.703 0 40 GCAB COCCN1C(=O)C[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(OC)c(OC)c1 257344620 ZYABEFUXUYEDNE-BEFAXECRSA-N 393.484 0.918 0 40 GCAB O=C(C1CC1)N1CC[C@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 306142592 XDYOZDHXVCSMDZ-FQEVSTJZSA-N 384.411 0.777 0 40 GCAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCCOC)cc2)CC1 408611527 XIPNZUCGMKGVKE-UHFFFAOYSA-N 385.486 0.154 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2F)CC1 575614871 BCDPKRVDMISIMW-UHFFFAOYSA-N 393.506 0.764 0 40 GCAB Cn1cc(C[C@@H](NS(=O)(=O)c2cnccc2C(F)(F)F)C(=O)O)cn1 578182169 DFYXHKZVZXXMHA-SNVBAGLBSA-N 378.332 0.808 0 40 GCAB Cc1noc(COC2CN(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)C2)n1 644405181 UKXOBXPWKZOZAV-CYBMUJFWSA-N 375.433 0.691 0 40 GCAB COc1ccc(N2C(=O)C[C@H](NCCCN3CCC(C(N)=O)CC3)C2=O)cc1 2728679 COZFBOBHYFDDGK-KRWDZBQOSA-N 388.468 0.504 0 40 GCAB O=C(CNC(=O)Nc1ccccc1)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O 6252262 YTBCVVSRLYLXCB-MRXNPFEDSA-N 398.419 0.736 0 40 GCAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298667 BBDWLIBQDLHGNW-IPELMVKDSA-N 387.459 0.979 0 40 GCAB biogenic,in-vitro NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ncccn3)CC2)cc1 9485939 FKIZYLPYIGRIGR-UHFFFAOYSA-N 375.454 0.657 0 40 GCAB Cc1ccc(C)c(OCCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 12928346 XYTQEBGOHSPHRH-UHFFFAOYSA-N 389.408 0.478 0 40 GCAB CN(CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)C[C@@H]1COc2ccccc2O1 12987015 DOBXDQHVJMASAW-OAHLLOKOSA-N 398.419 0.595 0 40 GCAB CN(CC(=O)Nc1cccc(-n2cnnn2)c1)S(=O)(=O)c1cccs1 21767718 CNSOMKYRPNFKBF-UHFFFAOYSA-N 378.439 0.983 0 40 GCAB CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 57567205 WEKHCECWLCTXQB-UHFFFAOYSA-N 383.470 0.828 0 40 GCAB CNC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCOC)[C@H]2CC1 96145804 KQPCGKHXOBNKRJ-KBPBESRZSA-N 383.470 0.889 0 40 GCAB CCn1ncc(CNC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 527926692 FMMNFBAGKCFUFM-GFCCVEGCSA-N 398.514 0.870 0 40 GCAB Cn1cnc(CCNC(=O)C[C@@H]2OC[C@H]3CN(Cc4cncn4C)CC[C@@H]23)c1 1565543413 TYJOTZRQQNMERZ-LZQZEXGQSA-N 386.500 0.740 0 40 GCAB CN(Cc1cccc(F)c1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6637221 RKCBKVNAELUNOR-UHFFFAOYSA-N 393.806 0.885 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(CCCS(=O)(=O)O)CC2)cc1C 7716014 PVGUIVQFRUWHLZ-UHFFFAOYSA-N 376.500 0.888 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCCc2cccs2)n(C)c1=O 7755525 CNMMOQUOOBKQCQ-UHFFFAOYSA-N 381.845 0.508 0 40 GCAB COc1ccccc1CCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 9623330 SQJFUHXLCCOJOP-UHFFFAOYSA-N 380.404 0.907 0 40 GCAB C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1 12604128 UUTZWLRBDZFYLC-SNVBAGLBSA-N 375.816 0.965 0 40 GCAB Cn1c(=O)c2c(ncn2C[C@H](O)COCc2ccc(Cl)cc2)n(C)c1=O 12629790 PMKVVPDRQKBGHT-ZDUSSCGKSA-N 378.816 0.665 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 12935703 BYKKTUDKYVORKB-AWEZNQCLSA-N 396.513 0.866 0 40 GCAB O=C(CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1)NC1CC1 14167815 GXUWSHUXAWZMDV-HNNXBMFYSA-N 390.509 0.776 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 15324662 GXINEWTXGDYCJX-UHFFFAOYSA-N 398.462 0.642 0 40 GCAB Cn1c(COC(=O)CCc2nc(-c3cccs3)no2)cc(=O)n(C)c1=O 32865253 ZNNSYHIDWKGEAQ-UHFFFAOYSA-N 376.394 0.872 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 33549370 UEVFKWIMGIZLIJ-UONOGXRCSA-N 377.404 0.599 0 40 GCAB COc1ccccc1OC[C@H](O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 71282898 AKSVXYZOGYTODJ-HZPDHXFCSA-N 384.498 0.240 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cccs1)C2 96050453 YFWBYYPDBPKNQW-SFHVURJKSA-N 387.465 0.962 0 40 GCAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 96104172 FORQOVFMQFGULT-UHFFFAOYSA-N 391.449 0.867 0 40 GCAB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)N=C(O)N=C1O)N(C)CC3)OCO2 104017747 XXLMIUZSHZWRGH-NSHDSACASA-N 388.380 0.837 0 40 GCAB CN1CCN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 113966176 IIALMWTYVKBXBG-UHFFFAOYSA-N 397.497 0.778 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2C)[C@@H](O)[C@@H]1O 257302209 SBYYSAYEGJGENW-RRCSTGOVSA-N 397.439 0.427 0 40 GCAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)Cn1ccnn1 1637559602 IREMDFIPCBYKNV-QAPCUYQASA-N 398.467 0.620 0 40 GCAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(c2ccc3nncn3n2)CC1 1775967784 DDVTVNLEAIELLE-UHFFFAOYSA-N 376.446 0.365 0 40 GCAB O=C(CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1)Nc1ccc2c(c1)OCCO2 2086881921 DJGVEBHZCISXHT-CQSZACIVSA-N 395.481 0.943 0 40 GCAB CCS[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4802845 YPNFVZQPWZMHIF-OTJKEOIZSA-N 392.426 0.823 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=COCCO1 9364718 WRXMFQNNTYIHEG-UHFFFAOYSA-N 398.437 0.933 0 40 GCAB CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 12187621 YLNWTEOUGIXJGP-UHFFFAOYSA-N 381.454 0.943 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)[C@@H]1CCS(=O)(=O)C1 13030251 FVJUVRWPCYNYFG-LLVKDONJSA-N 377.440 0.266 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(Cl)c1 13640104 DHVRIOIHHNCQHE-LSDHHAIUSA-N 392.843 0.820 0 40 GCAB O=C1CCC[C@]2(CN(S(=O)(=O)N3CCOCC3)C[C@H]2c2cccnc2)N1 19339992 UETKGMUCQNHDEQ-DOTOQJQBSA-N 380.470 0.097 0 40 GCAB Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)no1 72321833 HTTGAAHTHMGBRN-MOIQIXESSA-N 388.424 0.222 0 40 GCAB biogenic,in-vitro Cc1cc(N2CCCC2)nc(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)n1 72337148 ULOFHFIJPJNTGF-UHFFFAOYSA-N 386.456 0.643 0 40 GCAB Cc1cnc(N)c(S(=O)(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 95452407 QXHIYDWGPCRXPC-UHFFFAOYSA-N 375.410 0.825 0 40 GCAB CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 95950311 FHAXKQWNNNPYPG-UHFFFAOYSA-N 397.497 0.680 0 40 GCAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 260752168 XSAAIZSBBFIVNW-WFASDCNBSA-N 382.438 0.625 0 40 GCAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cnn(C)c4)C[C@@H]32)cc1 306145027 ZVJWSJSMZTWRQX-QZTJIDSGSA-N 392.463 0.724 0 40 GCAB CCc1ccc(S(=O)(=O)NCc2nc(OC)nc(N3CCOCC3)n2)s1 575606867 MFRZHTMAYUAZBD-UHFFFAOYSA-N 399.498 0.819 0 40 GCAB O=C(c1cccnc1O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 585138465 STNQOWUHJJYKLJ-UHFFFAOYSA-N 390.465 0.524 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888876286 INBHFABRXNZLSG-HZPDHXFCSA-N 394.479 0.734 0 40 GCAB c1cc2c(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ncnc2cn1 1889191879 IZAJFENZXCTRES-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB CCn1cc(CN2CCO[C@]3(COCCN(S(=O)(=O)C4CC4)C3)C2)cn1 2055812552 WXJBPUVHXUKXMN-QGZVFWFLSA-N 384.502 0.298 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 4357297 RJENLMHBHAYTSR-OAHLLOKOSA-N 383.470 0.312 0 40 GCAB Cc1cccc(-n2nnnc2SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 7238936 CMWYGHFNWAFPMO-CYBMUJFWSA-N 381.483 0.708 0 40 GCAB O=C(NC1CC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 8077254 YNMDMTJIJDYARE-UHFFFAOYSA-N 395.481 0.436 0 40 GCAB COc1ccccc1N1C(=S)N(CC(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 9423479 PQBDLQHMHKWXMK-OLZOCXBDSA-N 383.495 0.356 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3cnnn3)cc2)NC(=O)N[C@H]1C 9467430 FUZSXTXHCDAKGC-JTQLQIEISA-N 386.368 0.338 0 40 GCAB COc1ccc(-c2nc3ncc4c(=O)n(N5CCN(C)CC5)ccc4n3n2)cc1 13692893 SDVHBOXNRIDFHA-UHFFFAOYSA-N 391.435 0.998 0 40 GCAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC(=O)N2CCCC2)C1=O 14125876 JMASYJFKGUEEHK-HXUWFJFHSA-N 386.452 0.972 0 40 GCAB Cc1nc(N(C)C)ncc1C(=O)N(CCN1CCOCC1)C1CCN(C)CC1 19552685 MTMHZWPEEOMTTA-UHFFFAOYSA-N 390.532 0.720 0 40 GCAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)cc2n1 19585637 REICECKAROGNBL-ZDUSSCGKSA-N 398.467 0.713 0 40 GCAB NC(=O)CN1CCC[C@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1 19663743 XPAJNHODUYEDRF-AWEZNQCLSA-N 394.497 0.752 0 40 GCAB CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 38718115 JLTZOEDNZTUJJN-UHFFFAOYSA-N 377.422 0.988 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)OCC(F)(F)F 40158902 DVFGUBNRLZHPCP-UHFFFAOYSA-N 396.391 0.822 0 40 GCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72404249 DXHNVECQRGXQAR-ZDUSSCGKSA-N 379.413 0.055 0 40 GCAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)NC(=O)c1cccn1C 97664308 AFKYFKFMDKTPIY-LFIBNONCSA-N 394.391 0.818 0 40 GCAB C[C@H]1CN(Cc2nnc(CN3C[C@@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@@H](C)N1 225151909 OZNHHHZMMXHYPW-TVFCKZIOSA-N 386.548 0.755 0 40 GCAB COc1ccccc1CNC(=O)C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 253472293 LGBQJLKJVYDDEP-HNNXBMFYSA-N 386.404 0.932 0 40 GCAB O=C([C@H]1CCS(=O)(=O)C1)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 253615412 DICVBMHQWDGNFL-XEZPLFJOSA-N 392.481 0.336 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NCCN1C(=O)c2cccnc2C1=O 390830265 JUZOGCQHVGYZCJ-UHFFFAOYSA-N 395.418 0.504 0 40 GCAB COCCN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)c2csnn2)CC1 1565548643 GSJYMGAODDPXLC-QWHCGFSZSA-N 379.486 0.179 0 40 GCAB COCCn1cc(S(=O)(=O)N2CC3(CCN(C)CC3)[C@H]3COC[C@H]32)cn1 1615592237 VPWRFMMQYWCIQH-JKSUJKDBSA-N 384.502 0.261 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ccc4nncn4n3)CC2)n1 1889152043 AWGJIRYHALYOSV-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB Cc1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc2c3c(c(=O)oc12)CCCC3 2112253 HRYHUWQMTPEFOJ-GHHWKCCRSA-N 392.404 0.159 0 40 GCAB CCn1c(SCC(=O)N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 4161090 XWSTYPNIZUXQHA-UHFFFAOYSA-N 379.486 0.804 0 40 GCAB COCCN(CCOC)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5201397 ROSJTYQWIFROFV-CQSZACIVSA-N 393.440 0.868 0 40 GCAB CN(CCOc1ccc(Cl)cc1)CC(=O)N1CCN(S(C)(=O)=O)CC1 8939362 XSPAMUKKPMIHSB-UHFFFAOYSA-N 389.905 0.754 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 12752396 OAIHKSQELVBJQG-UHFFFAOYSA-N 398.463 0.584 0 40 GCAB O=C1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1CCc1ccccc1 16698928 VJEHJWURFRLBFQ-RBUKOAKNSA-N 399.491 0.927 0 40 GCAB CCCCCC(=O)[C@](C)(C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n21 19924421 QETSVAJRYMQKAN-MRXNPFEDSA-N 398.387 0.017 0 40 GCAB COCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 21896210 OVBOBNWQHQOUON-INIZCTEOSA-N 386.470 0.913 0 40 GCAB NC(=O)CCN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 22011379 HEPQVWQSLRPZMM-SFHVURJKSA-N 380.448 0.807 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 29185469 OGLCXTVXKASKNT-ZIAGYGMSSA-N 395.485 0.380 0 40 GCAB COc1cc2c(cc1OC)-c1c(c(C(=O)N[C@H]3CCS(=O)(=O)C3)nn1C)C2 32092015 BPAYAKVCBWQCOM-NSHDSACASA-N 391.449 0.925 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCNC3=O)CC2)cc1 34868198 UHMBOIVRCQSEGA-AWEZNQCLSA-N 380.470 0.242 0 40 GCAB CS(=O)(=O)CCn1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1=O 95976533 FDAPGAHBIMTWQG-UHFFFAOYSA-N 378.406 0.803 0 40 GCAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCN1CCOCC1 219439971 FTKQJVZJRIKRMP-UHFFFAOYSA-N 381.454 0.060 0 40 GCAB CCNC(=O)C[S@@](=O)c1cccc(NS(=O)(=O)CCOCCOC)c1 585079768 VEEMKSSDZYQYRO-XMMPIXPASA-N 392.499 0.335 0 40 GCAB COC[C@@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)N1S(C)(=O)=O 585104007 YCWODKAMSRCTHQ-HNNXBMFYSA-N 384.502 0.394 0 40 GCAB COc1cc(CN[C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OCCN(C)C 585272186 JLWRJTJVJMALFP-KZNAEPCWSA-N 395.500 0.068 0 40 GCAB Cc1nc(N2CCCC2)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1 1889085880 AITPLGAUHFYQNX-UHFFFAOYSA-N 385.472 0.109 0 40 GCAB Cc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(S(=O)(=O)C4CC4)C[C@@H]23)cn1 2055717966 OUWQWEBKGNBPEX-CPUCHLNUSA-N 394.497 0.478 0 40 GCAB CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccs3)CCO2)C1 2055814186 HNOWVYIVWIWOQB-APHBUQMISA-N 386.495 0.651 0 40 GCAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2cnnn2)c(=O)[nH]c1=O 9244454 ACAAZDZPRUNZER-UHFFFAOYSA-N 398.427 0.139 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NNC(=O)CC1 9595316 PEZSAZOVJAXZCZ-UHFFFAOYSA-N 380.426 0.220 0 40 GCAB CC(C)[C@H]1NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 12971487 IMSUEYQMOTZFBR-UKRRQHHQSA-N 385.486 0.521 0 40 GCAB CCOC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 22220152 ARCGMOATVIGETD-ZMZPIMSZSA-N 397.428 0.939 0 40 GCAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23989974 ZSKZBPSLGHXYED-KRWDZBQOSA-N 391.493 0.758 0 40 GCAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 24894369 JQNDFEQWCVPIRQ-JTQLQIEISA-N 383.378 0.932 0 40 GCAB O=C(CC[C@H]1NC(=O)NC1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33023938 WAGGEDKIQRYHJG-CQSZACIVSA-N 394.453 0.788 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 40103836 JDTIQSNWQYUNFK-UHFFFAOYSA-N 384.458 0.804 0 40 GCAB C[C@H](C(=O)N(C)CC(=O)NCc1cccc(NS(C)(=O)=O)c1)n1cccn1 40155448 ZIDUJOOSLSAXFZ-CYBMUJFWSA-N 393.469 0.590 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(N2CCNC2=O)cc1 58412496 VVRBGACAINLBIF-OAHLLOKOSA-N 380.470 0.760 0 40 GCAB NC(=O)c1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc1 67774020 PEFMMRKIXKUXQF-IBGZPJMESA-N 380.408 0.527 0 40 GCAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2nc(=O)o[nH]2)C(C)C)c1 89791077 PTHMPGUXAHBQRF-CQSZACIVSA-N 378.385 0.451 0 40 GCAB CC[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCN1C[C@@H](C)O 95433267 YZKBRGACOHLXBZ-HUUCEWRRSA-N 398.529 0.716 0 40 GCAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)CO)CC4)nn3c(O)c2C1 100243081 ZJFFCDZMOREFCJ-UHFFFAOYSA-N 387.440 0.428 0 40 GCAB CN(C)c1ccc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 225443616 IJPPKYBCZBYVRB-AWEZNQCLSA-N 394.435 0.932 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2ccccc2Br)C1 240178555 YZYYGFLBZGFKPG-UHFFFAOYSA-N 385.243 0.876 0 40 GCAB Cc1cccc(CNC(=O)CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)c1 547681732 RXCVILBUWCRIFW-MRXNPFEDSA-N 384.440 0.947 0 40 GCAB O=S1(=O)CC[C@@H](NN(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)C1 575422372 VDTIWKZFARMBKO-HUUCEWRRSA-N 376.475 0.507 0 40 GCAB O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)N1CC[C@@](F)(CO)C1 585080642 YJQAUXYRYXGXLV-INIZCTEOSA-N 389.424 0.982 0 40 GCAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298248 CUSXVLGJEXPUGN-LZQZEXGQSA-N 399.495 0.848 0 40 GCAB biogenic,in-vitro CCn1c(CCC(=O)NCC(=O)OC)nc2cc(S(=O)(=O)N(C)C)ccc21 12525389 IRADOEVGUDMJCY-UHFFFAOYSA-N 396.469 0.528 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1C(N)=O 12976687 MOOZWPUUQWHHAH-UHFFFAOYSA-N 396.513 0.974 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@H]3C[C@H]3C)CC2)cc1 12985468 WSBKOAREHNDOFP-CJNGLKHVSA-N 395.481 0.300 0 40 GCAB COCCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cn(C)nc1C 13655354 FEGCPLVWEWJQSC-UHFFFAOYSA-N 387.440 0.750 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H](C)n1ncc3ccccc3c1=O)CC2 19286382 KSXRJZZHKIWOSR-GFCCVEGCSA-N 379.420 0.977 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1C(N)=O 24972330 IZKLGNACZIWEAU-UHFFFAOYSA-N 382.486 0.537 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)C1=O 26854265 HMRULXFFLBDDRO-SFHVURJKSA-N 376.413 0.641 0 40 GCAB C[C@]1(c2ccccn2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 32913390 PGSQWHRRHRZYLY-LJQANCHMSA-N 382.376 0.894 0 40 GCAB CCn1c(N2CCN(Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952317 PRWFYPSCIMPWSL-UHFFFAOYSA-N 386.431 0.905 0 40 GCAB CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc2c(c1)N(C)CCC2 79061129 XQWBARJHQNGTFW-UHFFFAOYSA-N 375.516 0.677 0 40 GCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)cn1 97012708 NPRMYXUCCZOXFW-HNNXBMFYSA-N 378.410 0.513 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)n1 257266349 MCPKRLCHDMPGSI-ROUUACIJSA-N 396.447 0.233 0 40 GCAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(O)nc2=O)C1 257290054 QBJGQDMTIVATCT-HZPDHXFCSA-N 397.435 0.614 0 40 GCAB Cn1cc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)cn1 575617684 VWHLQMUYSKBIIL-UHFFFAOYSA-N 388.409 0.833 0 40 GCAB Cc1nc(SCC(=O)N2CCCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4138741 DFGLQZVYUCANLK-UHFFFAOYSA-N 377.470 0.830 0 40 GCAB COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 4213724 GKBRANYPXYUPKW-UHFFFAOYSA-N 395.416 0.373 0 40 GCAB CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC(=O)O)c21 6761341 WBLAFGFCUDEBMG-UHFFFAOYSA-N 377.216 0.721 0 40 GCAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)NCC1CCCCC1 12444070 RQIGDIOVURSXIM-UHFFFAOYSA-N 393.469 0.951 0 40 GCAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNS(=O)(=O)N(C)C)n1 19697227 UIWKZYCXDXGNNE-UHFFFAOYSA-N 377.470 0.654 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2ccsc2)no1 31649863 CNFQQLRJUYQLET-LLVKDONJSA-N 378.410 0.621 0 40 GCAB CC(C)n1c(=O)c2sccc2n(CC(=O)N2CCC(C(N)=O)CC2)c1=O 32093856 FWCMJKFMDZCEGX-UHFFFAOYSA-N 378.454 0.530 0 40 GCAB CN1CC(=O)N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)C1=O 40012983 BAWNSQWHHBHOEI-UHFFFAOYSA-N 388.468 0.809 0 40 GCAB Cc1nc2ccccc2n1CCNC(=O)CCn1cc(S(N)(=O)=O)cn1 58228948 VINDUIQYSBVYJR-UHFFFAOYSA-N 376.442 0.395 0 40 GCAB O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)C1 95452422 LCYVLVDGBBZPFE-KBPBESRZSA-N 388.449 0.656 0 40 GCAB Cc1nc2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2nc1C 95477189 PXAKYMZGULNIFJ-UHFFFAOYSA-N 377.470 0.811 0 40 GCAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(N)=O)[C@@H]2C(N)=O)cc1 96318967 FDRDLEDRBRPMKE-IVZWLZJFSA-N 393.446 0.416 0 40 GCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 97012733 VFBXIPUGFGTJGR-HNNXBMFYSA-N 399.494 0.894 0 40 GCAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)CC[C@@H]2O)CC1 257307672 SZTRMMVRXRZNPV-PMACEKPBSA-N 399.495 0.703 0 40 GCAB C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 838166 GJZUEQOBUQSCTG-JTQLQIEISA-N 377.832 0.928 0 40 GCAB CCN1c2nc3c(C)cccn3c(=O)c2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C 2205022 WOHLPNVZOONGOO-LBPRGKRZSA-N 397.435 0.811 0 40 GCAB O=C(O)c1c[nH]c2ccc(S(=O)(=O)N[C@@H]3CCCCNC3=O)cc2c1=O 4659662 CCHGMCFBWPNABS-CYBMUJFWSA-N 379.394 0.173 0 40 GCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)[C@H](C)O 4760639 LSGQBKXSCAVGDH-IACUBPJLSA-N 384.454 0.985 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCc1cccnc1 11904602 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Cc1noc([C@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)C[C@@H](C)O2)n1 585123325 OWMLWPKNWJVIKK-RSQMQNDGSA-N 393.444 0.676 0 40 GCAB CCn1cc(S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1C 618254346 ZJJJYSVJDIGFMB-UHFFFAOYSA-N 395.485 0.791 0 40 GCAB CCN(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 2640319 MVSWUSKKSGYTRF-HZRUHFOJSA-N 397.449 0.993 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1CCc1ccccc1 4314158 BAACKILBOZYUPV-UHFFFAOYSA-N 394.435 0.494 0 40 GCAB Cc1cccc(OC[C@H](O)Cn2c(N(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 4386211 HZHUGZRREYEGRP-CYBMUJFWSA-N 387.440 0.248 0 40 GCAB CC1CCN(CCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)CC1 5701529 ATNFBABVOAFCIW-UHFFFAOYSA-N 384.278 0.928 0 40 GCAB O=C1CCC(C(=O)OCc2ccc(COC(=O)C3=NNC(=O)CC3)cc2)=NN1 6472247 BSLIZDCGYJBHOJ-UHFFFAOYSA-N 386.364 0.305 0 40 GCAB Cc1ccc(CN(C)C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)o1 7554822 LJNYRHGQNYYHEA-UHFFFAOYSA-N 377.397 0.954 0 40 GCAB NC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)CC1 12182478 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CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CCO1 647732426 HFJBGLTVGTWBNH-QGZVFWFLSA-N 390.436 0.715 0 40 GCAB CN1CCN(C(=O)[C@@H]2C[C@@H]3[C@@H](CCN3C(=O)Cc3ccc(F)cn3)O2)CC1 1565544519 JAGVHADTTWVEBT-ZACQAIPSSA-N 376.432 0.296 0 40 GCAB COC(CNC(=O)c1cn(-c2ccc(S(=O)(=O)N(C)C)cc2)cn1)OC 1889091747 MHUWQPDHURZFHL-UHFFFAOYSA-N 382.442 0.471 0 40 GCAB COCC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2cccc(F)c2)C1 2037946974 OVVLFKLISQMSHW-FQEVSTJZSA-N 396.459 0.905 0 40 GCAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)NC1CC1 3305836 ILOUTDVRJMXETD-FPYGCLRLSA-N 395.506 0.874 0 40 GCAB Cc1nc2ccccc2c(=O)n1CC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 7088546 PFVPRGFHDAUXGV-AWEZNQCLSA-N 375.450 0.883 0 40 GCAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2NC1=O 12516121 DVYUBSUEQUQXEW-BDAKNGLRSA-N 387.396 0.069 0 40 GCAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12753665 WQVGSSVIJMGIME-CYBMUJFWSA-N 386.495 0.695 0 40 GCAB CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(NC(C)=O)cc1 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Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)c4csnn4)C[C@H]3O2)cn1 1614930205 UJPHNQGAOROMHR-TUKIKUTGSA-N 388.453 0.573 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 3356440 HRCSJSJKRIYRBZ-UHFFFAOYSA-N 377.378 0.431 0 40 GCAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4942272 GHMDDHXREUBBED-UHFFFAOYSA-N 378.410 0.002 0 40 GCAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCS(=O)(=O)C1 5289409 FZRZMIRZLKHGNR-GXFFZTMASA-N 398.462 0.336 0 40 GCAB O=C(COc1cccc(I)c1)N[C@@H]1CCS(=O)(=O)C1 5452935 ASHKXCMBKHPQCW-SNVBAGLBSA-N 395.218 0.973 0 40 GCAB CCOC(=O)COc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 11692419 WPFHYCBHTALVFU-UHFFFAOYSA-N 399.407 0.527 0 40 GCAB CC(C)[C@@H](CNC(=O)c1ccnc(N2CCN(C)CC2)c1)N1CCOCC1 19662557 KTTOOCAYTSHDIR-GOSISDBHSA-N 375.517 0.920 0 40 GCAB CCCNC(=O)CN1CCN(CC(=O)Nc2ccsc2C(=O)OC)CC1 22845285 VHRHGXXFBDAOBE-UHFFFAOYSA-N 382.486 0.617 0 40 GCAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(C(=O)OC)cn2)c(=O)[nH]c1=O 22962900 ZTLGWCWHYOKUAH-UHFFFAOYSA-N 389.412 0.767 0 40 GCAB CNC(=O)c1cccc(CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 23135647 CGQSLBSMDBJDSG-UHFFFAOYSA-N 394.439 0.412 0 40 GCAB CCOC(=O)N[C@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)CC(C)C 31700593 LLDQLBTZEKPWHI-LBPRGKRZSA-N 388.490 0.824 0 40 GCAB COc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 49216856 RJOKMIRNMDFNMH-LLVKDONJSA-N 383.401 0.938 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1 58160960 LBVWDCWUGWCGOY-TXEJJXNPSA-N 379.479 0.066 0 40 GCAB Cc1cc(C)n(-c2nc(CCNC(=O)CCn3ccc(=O)[nH]c3=O)cs2)n1 90609300 IJDUCKZROUMMLJ-UHFFFAOYSA-N 388.453 0.545 0 40 GCAB CCOC(=O)CCS(=O)(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 95432610 USAGHLPZAKJWOW-JTQLQIEISA-N 386.434 0.815 0 40 GCAB Cc1nc(CN2CCO[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@H]32)cs1 96248774 HWDCVJUEWZMUIX-KGLIPLIRSA-N 383.499 0.459 0 40 GCAB Cn1cc(CN2CCN(C(=O)CN3CCOCC3)CC2)c(-c2cccnc2)n1 98161987 QYYDZAXKRVMEKH-UHFFFAOYSA-N 384.484 0.459 0 40 GCAB O=c1c(NCCCN2CCOCC2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101701169 NAWIPBXLMNSEEL-UHFFFAOYSA-N 398.507 0.739 0 40 GCAB Nc1nc(N)c2c(n1)O[C@@]1(COCCN(C(=O)c3ccccc3C(=O)O)C1)C2 257281599 OQBMQSYSWFWXHK-SFHVURJKSA-N 385.380 0.186 0 40 GCAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)C1CN(C(C)=O)C1)C2 257316541 VGAKLSLEADUWKM-KCZVDYSFSA-N 398.507 0.875 0 40 GCAB Cn1ccnc(NC(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)c1=O 671531330 XCYLFJWMOQNZMN-CQSZACIVSA-N 381.396 0.966 0 40 GCAB C[C@]1(c2ccc(C(=O)NC3(c4ncon4)CCOCC3)cc2)NC(=O)NC1=O 1116600027 NLZXUMAWSLSWTL-QGZVFWFLSA-N 385.380 0.560 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc2c(c1)OCO2 4937941 MJCQPWHRENYMGA-UHFFFAOYSA-N 380.426 0.584 0 40 GCAB COc1ccc(CNCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 6665294 OKPQXZZWBKWCNI-UHFFFAOYSA-N 382.424 0.783 0 40 GCAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 6887317 QDVIQHALWCYUIB-UHFFFAOYSA-N 375.809 0.697 0 40 GCAB CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1OC 8495269 UGWPCWBRTJSFLY-UHFFFAOYSA-N 382.413 0.854 0 40 GCAB CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O 8643320 IERHLIIHONHHAS-LQKXBSAESA-N 387.383 0.490 0 40 GCAB biogenic,in-vitro COc1ccc(C)cc1CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 9918615 NQWQROJESHEAFZ-UHFFFAOYSA-N 385.424 0.409 0 40 GCAB Cc1c(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c(=O)n(C)c(=O)n1C 12122392 CWYUKEHQEOOZHR-UHFFFAOYSA-N 394.435 0.508 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N3CCN(C(=O)c4cccs4)CC3)cnc21 12909210 RHONSOPLYRNPDV-UHFFFAOYSA-N 386.437 0.176 0 40 GCAB O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1 12948122 JKWAUFCODRZPSJ-UHFFFAOYSA-N 390.417 0.855 0 40 GCAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 15335024 NNWDQNDZYBSSEW-UHFFFAOYSA-N 384.435 0.883 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024991 MTKXBMRFJIAMQO-IPJQRFBASA-N 388.399 0.220 0 40 GCAB Cn1c(=O)c2c(ncn2CCOC(=O)c2cc(=O)[nH]c3ccccc23)n(C)c1=O 16045163 DCUOYTPKRDZABP-UHFFFAOYSA-N 395.375 0.132 0 40 GCAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1 25343002 UIONUWDCMOBELU-UHFFFAOYSA-N 389.481 0.666 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 28197904 RFZCWCDHMIGECB-ZDUSSCGKSA-N 399.469 0.663 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cc(Sc3ncccn3)ccn2)CC1 72243456 WKILMUDNKVELEK-UHFFFAOYSA-N 379.467 0.740 0 40 GCAB CN(C)S(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 95976549 NAMHDBODZYRDHB-KRWDZBQOSA-N 380.514 0.602 0 40 GCAB COc1ccnc(N2CCN([C@H]3CCCN(C4CCOCC4)C3=O)CC2)n1 95999460 CHIQJOCASWQKPX-INIZCTEOSA-N 375.473 0.777 0 40 GCAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1 224999176 SLARSWAYVMJCAN-OAHLLOKOSA-N 399.513 0.688 0 40 GCAB CSCC[C@H](NC(C)=O)C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782884 BYNDEEYVGOSVLH-HNNXBMFYSA-N 392.456 0.976 0 40 GCAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCC1CCCCC1 1549161044 JNDFSDGZTSZIGC-IPMKNSEASA-N 379.505 0.409 0 40 GCAB Cc1nc2ccccn2c1C(=O)N1C[C@H]2OCCN(S(C)(=O)=O)C[C@H]2C1 1614927291 GWJGRSDXHRYKSZ-ZIAGYGMSSA-N 378.454 0.375 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O 4249314 VAOUYDSBTSVHOY-CYBMUJFWSA-N 397.435 0.726 0 40 GCAB O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 4403202 LDFVROHMRYBVGB-BRSBDYLESA-N 390.388 0.144 0 40 GCAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)OC 4760586 QKBCIRADCQJDIX-CQSZACIVSA-N 379.413 0.487 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccn4)ncnc32)[C@@H](O)[C@@H]1O 4823429 MYLPTWRLZBDWTN-GXCBOPRBSA-N 375.410 0.125 0 40 GCAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1C 10104933 FNJSOGWGJYCQPT-UHFFFAOYSA-N 382.424 0.541 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 15842497 MJDVCVYVJOPYHL-UHFFFAOYSA-N 395.437 0.667 0 40 GCAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)CCO1 29878449 YFJGPFZNORTWIB-BLVKFPJESA-N 389.408 0.516 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)NCCn1nc(-c2cccs2)ccc1=O 42379691 VQJRSVHGYJGZMF-UHFFFAOYSA-N 387.421 0.028 0 40 GCAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1 70641499 YPTOBEAVQOSHGR-QGZVFWFLSA-N 381.436 0.553 0 40 GCAB Cn1cc(CC(=O)NCCn2nc(-n3cncn3)ccc2=O)c2ccccc21 96025196 HUSYAIZXWRNOTA-UHFFFAOYSA-N 377.408 0.675 0 40 GCAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@@H]1C 100986164 DWUBVTFHAOGKPT-MXWKQRLJSA-N 379.486 0.993 0 40 GCAB Cc1nnc2c(N3CCN(C(=O)c4cc5cccnc5[nH]c4=O)CC3)nccn12 225800435 ZAYMCKHPDHJPMA-UHFFFAOYSA-N 390.407 0.632 0 40 GCAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCCn1nc(C3CC3)ccc1=O)CS2 575608943 QEKKCORMQCHNJC-CYBMUJFWSA-N 387.465 0.839 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCN(c4nccs4)C(=O)C3)cc21 1565523874 ZMDWQIGDRUFGDX-UHFFFAOYSA-N 394.434 0.626 0 40 GCAB CS(=O)(=O)CCC(=O)N1C[C@H](C(=O)NCc2cccnc2)C[C@H]2OCC[C@H]21 1614929583 FAHNLQRCCZRIPO-BZUAXINKSA-N 395.481 0.139 0 40 GCAB Cn1c(C(=O)N2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)cccc1=O 2055734749 QZEHFUJKZCMLRJ-SWLSCSKDSA-N 388.449 0.455 0 40 GCAB NC(=O)C1CCN(C(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 2952037 LKZBXLKGYCTHNU-UHFFFAOYSA-N 386.452 0.974 0 40 GCAB CC(C)[C@H](NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1)C(=O)O 4073587 PZUDBSCCDVXBGD-AWEZNQCLSA-N 385.461 0.975 0 40 GCAB biogenic C[C@H](O)CNC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 6759378 WOQMWRBIWYXGJT-VIFPVBQESA-N 381.454 0.110 0 40 GCAB O=C(Cn1c(O)nc2ccccc2c1=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 8994483 CBRJQKFFKGKWNC-HNNXBMFYSA-N 383.360 0.620 0 40 GCAB biogenic CNS(=O)(=O)CCN(Cc1ccncc1)C(=O)c1ccccc1C(=O)O 9306213 KBVLXQQYBQNOPW-UHFFFAOYSA-N 377.422 0.971 0 40 GCAB O=C(c1cccnc1)N1CCC[C@@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 12141944 AZLWLNQCAGUFAV-OAHLLOKOSA-N 384.440 0.698 0 40 GCAB CC(C)OCCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 13001377 XKAOUMOSYCATKM-UHFFFAOYSA-N 383.470 0.352 0 40 GCAB CN(C)CCCNC(=O)CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 13682635 WRCNJYBINGJRFN-AWEZNQCLSA-N 390.440 0.888 0 40 GCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1cc(=O)n2ccccc2n1 14757954 CDBOTWDZMZJJIY-UHFFFAOYSA-N 381.344 0.896 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)c1 16187549 LHHWXTYUOXLYJL-UHFFFAOYSA-N 399.469 0.048 0 40 GCAB Cn1cccc1C(=O)NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 23025603 RNKDVHGHRDLUMV-UHFFFAOYSA-N 390.465 0.860 0 40 GCAB CCN(C(=O)COc1cc(C)on1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23299090 SYLMCSVJQWOYCY-UHFFFAOYSA-N 399.407 0.895 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(CC(=O)NC2CC2)c2ccccc12 36741500 NMYZERDHMUHLMQ-GOSISDBHSA-N 398.463 0.783 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@H]2Cc2cccc(F)c2)n(C)c1=O 46626374 IKMLCUPUTOKHNG-HNNXBMFYSA-N 399.426 0.807 0 40 GCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 55248776 RZQCJZWVRRVYLB-UKRRQHHQSA-N 399.538 0.822 0 40 GCAB Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 248044311 WEAGQVDVCKOPBG-OAHLLOKOSA-N 378.454 0.703 0 40 GCAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](O)[C@H](n2ccc3c(C(N)=O)ccnc32)C1 257314241 UWAARPZZLMGECG-ZIAGYGMSSA-N 388.424 0.770 0 40 GCAB CC(C)C(=O)Nc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccn1 558858579 CLEYQUKLTXIIMT-HNNXBMFYSA-N 394.497 0.621 0 40 GCAB COCCn1ccc(C(=O)N2CC3(C[C@H](OCC(=O)N(C)C)CS3)C2)n1 575402359 BHOULFVGLOJOPS-ZDUSSCGKSA-N 382.486 0.334 0 40 GCAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 591146215 SQJSKNURSOBFJL-CYBMUJFWSA-N 395.485 0.194 0 40 GCAB CN(C)C(=O)CN1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CC=CCC1)CCO2 1565545695 LAWIMMSKMIODDJ-PMACEKPBSA-N 379.501 0.751 0 40 GCAB CC(C)N(C)CC(=O)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1565548724 IVQGTLLLWRTQJG-LPHOPBHVSA-N 378.473 0.360 0 40 GCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3csc(C)n3)CC2)O1 2055794343 MMQYUTKEDDWXCH-CYBMUJFWSA-N 375.454 0.924 0 40 GCAB Cc1cc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1Cl 3450641 MERUYFDRIYLVHT-UHFFFAOYSA-N 395.799 0.433 0 40 GCAB COCCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519196 MZYHDISVZDGZCS-OAHLLOKOSA-N 398.412 0.813 0 40 GCAB Cc1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1N 7985995 UORZUSDWKSJUMM-CYBMUJFWSA-N 387.531 0.741 0 40 GCAB O=C(CSc1nnnn1Cc1ccccc1)N1CCN(c2ncccn2)CC1 8547987 XKSZLJISEDTISR-UHFFFAOYSA-N 396.480 0.952 0 40 GCAB Cn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1cccnc1 8901003 BGEYAGVPLDZONO-UHFFFAOYSA-N 399.436 0.619 0 40 GCAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 12516128 DVYUBSUEQUQXEW-DTWKUNHWSA-N 387.396 0.069 0 40 GCAB CCCn1c(N)c(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(=O)[nH]c1=O 14730586 JOKJPMDCBPMCKN-FOSCPWQOSA-N 391.424 0.650 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C(=O)N[C@H](CO)CSCc1ccccc1 17042490 PVVOXOJGFNXJJC-WBTMPAOCSA-N 375.450 0.795 0 40 GCAB COC(=O)c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(Cl)c1 40013464 BGMROAMCRCDQHD-UHFFFAOYSA-N 390.845 0.609 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 40086282 FAEZUUDFCKEJGB-HZPDHXFCSA-N 391.534 0.453 0 40 GCAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCCS(C)(=O)=O 40122772 ZTQBUACYEQBQGK-AWEZNQCLSA-N 388.511 0.464 0 40 GCAB CC(C)(C)OC(=O)NCCNC(=O)Cn1nnc(COc2ccccc2)n1 58166575 NKAPIKNLPCTQPF-UHFFFAOYSA-N 376.417 0.893 0 40 GCAB NC(=O)C[C@H]1CCCCN1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 58177949 UWZKUOUTHPJMSN-MRXNPFEDSA-N 381.498 0.937 0 40 GCAB Cc1ccc(C(=O)NC2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)o1 95959516 TTWZACQNLPCDCY-UHFFFAOYSA-N 376.413 0.641 0 40 GCAB CN(C)c1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998877 DDASWRTYRGFUSQ-AWEZNQCLSA-N 382.486 0.414 0 40 GCAB Cc1ccc2nc(COC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc(=O)n2c1 102957122 OKOFIGHBOSVBOJ-GASCZTMLSA-N 381.388 0.997 0 40 GCAB CCN1CCN(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)C(=O)C1=O 225588765 KWTFYLMLGWSHRC-QGZVFWFLSA-N 377.422 0.977 0 40 GCAB Cn1nc(C(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 390828938 CGWLUCBWMJMGMS-AWEZNQCLSA-N 376.482 0.955 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575421370 PJISQFJRSMJWFG-ZIAGYGMSSA-N 391.467 0.043 0 40 GCAB CNS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 649607693 INEVCJAUNYVERB-GOSISDBHSA-N 396.513 0.344 0 40 GCAB COC1(CC(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)CCC1 1614940077 GJDGPQSUZJNTTD-IBGZPJMESA-N 376.457 0.870 0 40 GCAB CCOc1ccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 793281 PGTKOOCZFGRATD-CYBMUJFWSA-N 397.497 0.964 0 40 GCAB Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@@H]45)[C@H]3C2=O)n1 1786077 LMHHPCYJUBLDJT-WMWUNATHSA-N 391.225 0.881 0 40 GCAB CC[C@@H](c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1)N(C)C 2638568 WBLSQMGSRJUSEP-MNOVXSKESA-N 376.504 0.820 0 40 GCAB CCNC(=O)CN(CC)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O 7585519 DJRVAENVZCBBSY-LJQANCHMSA-N 389.456 0.333 0 40 GCAB CCOC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 8725112 ACGMAJHBXZYUPP-UHFFFAOYSA-N 390.444 0.702 0 40 GCAB CCCNC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 9095425 QKJYHHCYRPUHDX-UHFFFAOYSA-N 398.423 0.212 0 40 GCAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12772885 SJVMVJXAJWOCOH-UHFFFAOYSA-N 396.517 0.496 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccco1 18077690 OOVPLFMYJIXTSM-LSDHHAIUSA-N 398.423 0.598 0 40 GCAB O=C(NCCN1CCN(C(=O)c2ccco2)CC1)C(=O)NCc1ccccc1 19831113 SFBIFPLJVCPJAS-UHFFFAOYSA-N 384.436 0.470 0 40 GCAB C[C@@H]1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C[C@@H](C)O1 21821948 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Cc1n[nH]c(SCCNC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)n1 225879453 VSSDATJSCGCXAW-UHFFFAOYSA-N 390.516 0.796 0 40 GCAB COc1ccc(CC(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)cc1 575606359 OEKZNKZKAXQKBS-UHFFFAOYSA-N 386.456 0.642 0 40 GCAB O=C(O)c1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)nc1 649463477 RXCCXGYYLLOTTN-UHFFFAOYSA-N 382.420 0.854 0 40 GCAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)CC1=O 1614932682 BLJFBPWOQAULHJ-KRWDZBQOSA-N 383.470 0.677 0 40 GCAB CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)OC)=NN(CCC(C)=O)[C@H]3C2=O)cc1 5023024 JMFXDEJXYIDWBH-GDBMZVCRSA-N 387.392 0.767 0 40 GCAB COCCCNC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030092 RPCMEUYZIWPFGB-AWEZNQCLSA-N 375.468 0.414 0 40 GCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nn1 12141959 GGLKLUYHDJKNNK-CQSZACIVSA-N 390.444 0.812 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 12492208 ORPWLMJRWWIUFM-VHKOSHJNSA-N 389.433 0.468 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)CC3)ncnc21 12781316 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CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 95461177 APIDIHCLSKKSHV-GFCCVEGCSA-N 393.444 0.338 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCN(c4cnsn4)CC3)cc21 585148798 IQZOBYFTBLZVKH-UHFFFAOYSA-N 381.439 0.494 0 40 GCAB N[C@@H]1CCCCN(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1=O 643727765 KSISDVKBGXJFQS-TVFCKZIOSA-N 384.480 0.599 0 40 GCAB O=C(CN1CCC[C@]2(CCCN(C(=O)Cn3cnnn3)C2)C1)N1CCCC1 2056224443 JGQRMIWJFJVGAO-SFHVURJKSA-N 375.477 0.000 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)NC[C@@H]5CCCO5)C[C@H]4C3)nn12 2087023473 XGVLKOOTBNKBSJ-ZNMIVQPWSA-N 385.472 0.943 0 40 GCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)c2ccccc2)CC1 4454213 NCCRUDGKMCTBGD-HNNXBMFYSA-N 398.467 0.299 0 40 GCAB COc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)NN2C(C)=O)cc1O 5450715 MYTUIXYZGQYLFP-GFCCVEGCSA-N 388.380 0.503 0 40 GCAB CC(C)N(CC(N)=O)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 6639178 CNKWPWUMTOEICI-KBPBESRZSA-N 397.497 0.820 0 40 GCAB CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 7313582 YILWCGUMJIYBIX-SCLBCKFNSA-N 391.449 0.025 0 40 GCAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccn3)cc2)C1=O 11859317 KCEONYMDYIZYPP-GFCCVEGCSA-N 395.462 0.873 0 40 GCAB CCc1cnc2c(c1Nc1ccc(S(N)(=O)=O)cc1)c(=O)n(C)c(=O)n2C 12227206 CXCJCIMVTWQYLD-UHFFFAOYSA-N 389.437 0.586 0 40 GCAB O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCN1CCOCC1 13690015 IEIFRTNBQJHHIV-UHFFFAOYSA-N 377.408 0.833 0 40 GCAB CS(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 15884150 JVJPGHGMNQZZQN-UHFFFAOYSA-N 377.405 0.431 0 40 GCAB COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCC(N)=O 16363647 SOBXGJRRDREHFI-UHFFFAOYSA-N 386.865 0.618 0 40 GCAB CCN1CCN([C@@H](CNC(=O)C(=O)NCc2cccnc2)c2cccnc2)CC1 22457163 JSEGDJVIGALRCF-IBGZPJMESA-N 396.495 0.588 0 40 GCAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 25343267 WSVUZYJHQYLQER-UHFFFAOYSA-N 389.481 0.531 0 40 GCAB Cc1sc2nc(CS[C@H](C)C(=O)NN3CC(=O)NC3=O)[nH]c(=O)c2c1C 39978560 MSRMXSPMCFVEDY-MRVPVSSYSA-N 395.466 0.806 0 40 GCAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 39985812 NWSZVLBSQNZVTJ-UHFFFAOYSA-N 385.486 0.202 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC[C@H]3COc4ccccc4O3)ccc21 49548204 DSUBKXJIMHPZOG-ZDUSSCGKSA-N 396.403 0.772 0 40 GCAB CN(C)CCNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 72389660 FUIXKLKMWDCHBX-HXUWFJFHSA-N 388.468 0.238 0 40 GCAB Cn1nc([C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n(-c2ccccc2)c1=O 77149686 KAYJXBBGBSEWOE-CQSZACIVSA-N 397.435 0.426 0 40 GCAB O=C1NCCc2ccc(S(=O)(=O)N[C@H](CO)C[C@H](O)c3ccccc3)cc21 95436047 CFSCCIZAOLBWTM-YJBOKZPZSA-N 390.461 0.735 0 40 GCAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](CO)CCSC)C2=O)cc1 95971209 FFNSTDXTYPDIBG-FZKQIMNGSA-N 395.481 0.692 0 40 GCAB C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 96812214 WSVHOMOFMQCFIV-QGZVFWFLSA-N 394.541 0.817 0 40 GCAB NS(=O)(=O)CCN1CCC(C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 97164942 MIXSCSUJDBWFFQ-UHFFFAOYSA-N 395.460 0.950 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2c(F)cccc2F)C1 225679444 PVHQBDJBRNFAFT-UHFFFAOYSA-N 377.394 0.545 0 40 GCAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1F 226686729 MXAZBLFFVSQZBQ-UHFFFAOYSA-N 384.433 0.858 0 40 GCAB CN(CCO)[C@H]1[C@H](NC(=O)c2ccccn2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257262098 LKAHFKNTUUWJEB-YRXWBPOGSA-N 389.427 0.824 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)c(Cl)c1 408635578 FFVQYSKANRWELW-NSHDSACASA-N 394.877 0.795 0 40 GCAB C[C@H]1NC(=O)N(CCN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1=O 573806252 ZCHRKPQYCZFCRJ-CQSZACIVSA-N 383.452 0.795 0 40 GCAB Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1F 585085536 IRHLDKVWLQFEMW-MRXNPFEDSA-N 394.428 0.054 0 40 GCAB Cn1nnnc1SCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl 3340143 KJQQCHRAHBDLIS-UHFFFAOYSA-N 397.269 0.895 0 40 GCAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 8893940 JWDROEPTMKFOIT-BJDMNJBUSA-N 398.415 0.122 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2ccc[nH]2)[C@@H](C)O)cc1 9724125 AJMVEGGDIKIXIA-MLGOLLRUSA-N 380.422 0.777 0 40 GCAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)C1=O 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CCn1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 2805422 UHBBAKIHWIINST-KBPBESRZSA-N 394.501 0.915 0 40 GCAB CCCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 4357274 DDNYOZLPSFFHER-OAHLLOKOSA-N 383.470 0.456 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 4357298 RJENLMHBHAYTSR-HNNXBMFYSA-N 383.470 0.312 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1 36398854 JAZHBLMEMLVWSA-HNNXBMFYSA-N 394.497 0.550 0 40 GCAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)on1 48276347 PYHWIRBKQWYUOS-MCIONIFRSA-N 381.454 0.682 0 40 GCAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)COC)CC3)C1=O 96036611 HEQYRQGGTVEAMX-LJQANCHMSA-N 380.489 0.477 0 40 GCAB CN(C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)CC3CC3)CC2)O1 96243742 RFWWUBPFWULYPI-MRXNPFEDSA-N 389.500 0.578 0 40 GCAB CCS(=O)(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2Cc1cccnc1 96251630 YQLTYFSZHXETFY-JKSUJKDBSA-N 387.527 0.495 0 40 GCAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NC1CCCC1 98213063 RRIVYLLDCGEBTC-UHFFFAOYSA-N 387.415 0.899 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)C[C@@H](C)O1 106560889 SEWNRHZVVWGABG-ZENOOKHLSA-N 396.465 0.843 0 40 GCAB CS[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@@H]1N(C)C 107542304 LPGTXXJKVXRSNJ-NWDGAFQWSA-N 378.541 0.756 0 40 GCAB CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)O 165944780 GSWKJIWKGSPISH-LRDDRELGSA-N 381.429 0.202 0 40 GCAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 257267663 MIGROMMGURZOSK-HXUWFJFHSA-N 387.436 0.784 0 40 GCAB C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CS1(=O)=O 664978341 XUWWAFCUMUMOAM-FRRDWIJNSA-N 386.495 0.822 0 40 GCAB Cc1cc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nc(N(C)C)n1 2086887063 VGKLHSOMZNRVGI-HZPDHXFCSA-N 376.505 0.609 0 40 GCAB COC(=O)c1ccc([C@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@H]2C(=O)OC)cc1 4062076 YYAVVEHWOUBCRK-HRLGVUPISA-N 378.377 0.859 0 40 GCAB CCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(C)ccc1C 4357574 NUAZENRPLIFPNL-INIZCTEOSA-N 397.497 0.683 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCc2c(F)cccc2Cl)n(C)c1=O 4825769 ORJFXSFUXSRXKA-UHFFFAOYSA-N 380.763 0.970 0 40 GCAB Cc1cc(S(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)ccc1OCC(N)=O 6510120 VLSARCDOFWVUKG-UHFFFAOYSA-N 392.433 0.864 0 40 GCAB CCn1cc(C(=O)NCCC(=O)NCCCO)c(=O)c2cc3c(cc21)OCO3 6764373 YBOXDAYROUZAAB-UHFFFAOYSA-N 389.408 0.369 0 40 GCAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 8477132 OHXVUTQSPRPBOM-UHFFFAOYSA-N 375.472 0.334 0 40 GCAB O=C(CNC(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 12932228 NHWQGCKUFDTKNN-UHFFFAOYSA-N 397.403 0.676 0 40 GCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC[C@@H]2CCCO2)cc1 13371640 BVQNLBQSIUWZBP-BPUTZDHNSA-N 389.495 0.403 0 40 GCAB NCCn1nc([C@H]2CCN(C(=O)COC[C@H]3CCCCO3)C2)c2nccnc21 19404383 HLOITYYEAJNGCJ-LSDHHAIUSA-N 388.472 0.687 0 40 GCAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 19868638 BVNJXHUJECGXNA-UHFFFAOYSA-N 397.472 0.668 0 40 GCAB CC(C)N1CCN(S(=O)(=O)c2cncc(Br)c2NN)CC1 72210932 XKSWQMRPLAECDU-UHFFFAOYSA-N 378.296 0.844 0 40 GCAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccnn1Cc1cccs1 72309172 ZOTSUAVEVSYBID-UHFFFAOYSA-N 377.470 0.770 0 40 GCAB Cn1nnc2c(N3CC(C(=O)N4CCN(c5ccccc5O)CC4)C3)ncnc21 96096759 MUMLTRXCRFVEFH-UHFFFAOYSA-N 394.439 0.249 0 40 GCAB COC(=O)Cn1cnc2nc(N3CCC[C@H](C(=O)NC(C)C)C3)sc2c1=O 96097159 NYYTVXFMMKODQP-NSHDSACASA-N 393.469 0.767 0 40 GCAB COc1cccc([C@H]2C[C@@](O)(CNS(=O)(=O)c3cn[nH]c3)[C@H](O)[C@@H](C)O2)c1 257234422 GTLLUVAZZISZOD-GAEVZRCVSA-N 397.453 0.339 0 40 GCAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3cn(C)cn3)[C@H](O)[C@@H](C)O2)c1 257272628 NDDXNRRNFNWHEX-MYFFOXHASA-N 375.425 0.801 0 40 GCAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 575424649 VCGNFSITFHOLNW-NEPJUHHUSA-N 380.419 0.016 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccsc2)n2cccn2)C1=O 575614135 OISGUSRSGPYIOL-LBPRGKRZSA-N 383.455 0.941 0 40 GCAB CC(C)[C@H](CNC(=O)c1cnc2cccnn12)NC(=O)c1cnc2cccnn12 582669206 FWMJRIODEJTTFD-ZDUSSCGKSA-N 392.423 0.956 0 40 GCAB COC(=O)c1cccc(NC(=O)CN2CCC(CO)(NCC(C)C)CC2)n1 595511705 KLAOKRHZNSYWHR-UHFFFAOYSA-N 378.473 0.879 0 40 GCAB O=C1CN(C(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCN1 604419442 RLEZRGIZWRTDTD-UHFFFAOYSA-N 376.432 0.603 0 40 GCAB O=C(NCC(=O)N1C[C@@H](F)C[C@H]1CO)[C@@H]1c2ccccc2C(=O)N1C1CC1 671592864 KMWFCIVDUSCFQZ-BNLOLNQZSA-N 375.400 0.393 0 40 GCAB CO[C@@H]1O[C@H]([C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5047997 SNCROMAUUJJJEB-BVNHISBLSA-N 376.358 0.104 0 40 GCAB Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)NC(N)=O)nn1-c1ccc(Cl)cc1 6948068 LRPXYFIDNVRYJA-VIFPVBQESA-N 378.772 0.935 0 40 GCAB CCCCn1c(N)c(N(CC)C(=O)CN(C)Cc2ccco2)c(=O)[nH]c1=O 7522903 MKVUSXPXGNAJIH-UHFFFAOYSA-N 377.445 0.997 0 40 GCAB COC(=O)COc1ccccc1/C=C1/C(=O)N(CC(=O)OC)C(=S)N1C 8091458 MWDXHBRWZQCQKL-WQLSENKSSA-N 378.406 0.811 0 40 GCAB Cn1c(CNC(=O)CCNC(=O)c2ccc3[nH]ccc3c2)cc(=O)n(C)c1=O 9340541 JAWFSOUKZPVBEV-UHFFFAOYSA-N 383.408 0.002 0 40 GCAB O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(C[C@@H](O)CO)CC2)N1 12098597 UTCDFJSUOHRATF-YLJYHZDGSA-N 375.469 0.653 0 40 GCAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22775801 RFAGFDWGNDQBQH-KBPBESRZSA-N 376.482 0.789 0 40 GCAB NC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606903 AFBNYOUWMHEIGN-ZDUSSCGKSA-N 385.511 0.873 0 40 GCAB CS(=O)(=O)N1CC[C@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 30944444 WJBNXMAALAFQOK-MRXNPFEDSA-N 383.470 0.052 0 40 GCAB COCCN(CC(=O)N(C)C)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 40122168 SXFVZYQNVKXCIA-AWEZNQCLSA-N 377.441 0.754 0 40 GCAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(C3OCCO3)CC2)cc1 69924694 IUJGQIBNTIRBPN-UHFFFAOYSA-N 398.481 0.836 0 40 GCAB COc1ccccc1OC[C@@H](O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 71282901 AKSVXYZOGYTODJ-HOTGVXAUSA-N 384.498 0.240 0 40 GCAB C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cnn(C)c1 78939708 GCCDHKLJZILEBQ-LBPRGKRZSA-N 393.469 0.278 0 40 GCAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 97013972 ZWOSTFAJIZGZDE-GFCCVEGCSA-N 385.471 0.301 0 40 GCAB O=C1C[C@@H](N2CCC(C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)C(=O)N1 100237975 WRAJXKZKHQXLOD-MRXNPFEDSA-N 398.529 0.166 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCC(C(N)=O)CC1 224929646 JQEZAATWRZIPLA-UHFFFAOYSA-N 397.497 0.602 0 40 GCAB CNC(=O)[C@H]1COC2(CN1CC1CC1)CN(S(=O)(=O)c1ccccc1)C2 247978505 WTPLFZQJXQHJTM-MRXNPFEDSA-N 379.482 0.287 0 40 GCAB CN(C)c1nc(CNC(=O)c2cccc(-n3cnnn3)c2)nc(N2CCCC2)n1 575606680 KQXWEAZIPJEWAS-UHFFFAOYSA-N 394.443 0.444 0 40 GCAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2cncn2)CCO1 585282758 AIVCEWKARSTGAZ-QGZVFWFLSA-N 393.831 0.484 0 40 GCAB Cc1cc(CN2CCO[C@]3(CO[C@@H](C(=O)NCCCn4ccnc4)C3)C2)n[nH]1 2056226103 KLXZRTMYQXPCDC-MJGOQNOKSA-N 388.472 0.481 0 40 GCAB CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O 2126235 BRHOSTJKUCXEGM-ZDUSSCGKSA-N 379.438 0.793 0 40 GCAB biogenic COC(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc(C(=O)OC)c1 4309201 TYICEHAKDOQMII-UHFFFAOYSA-N 377.353 0.529 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)O)CC2)cc1 6668880 GAFDEWDBIPWOHB-NSHDSACASA-N 397.453 0.635 0 40 GCAB C[C@@H]1Oc2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2NC1=O 12508392 ZXKZLCIUBOQEQS-VIFPVBQESA-N 397.434 0.854 0 40 GCAB Cc1cc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n2ncnc2n1 12852453 DWDHVXOSDOVZRB-INIZCTEOSA-N 380.408 0.921 0 40 GCAB COc1cc(OC)c2c(C)c(CC(=O)N3CCN(CCO)CC3)c(=O)oc2c1 13624003 HAARAPAHKDSGNF-UHFFFAOYSA-N 390.436 0.798 0 40 GCAB Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)Nc1ncccn1 13693640 NFHZOBGFYNWPHD-LLVKDONJSA-N 396.450 0.898 0 40 GCAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)NCC(C)C 13722215 GSGSGQIOMSJLLH-NSHDSACASA-N 390.483 0.942 0 40 GCAB O=C(NCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1F 23316319 ZIDPAMRBNKXGHD-AWEZNQCLSA-N 377.416 0.653 0 40 GCAB CCCCn1c(S[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)n[nH]c1=O 32776162 XTIYGWMCNPWLMY-NEPJUHHUSA-N 390.531 0.888 0 40 GCAB CN1C(=O)N(CC(=O)N2CCN(c3cnccn3)CC2)C(=O)C12CCCCC2 40039617 OZNJXPJZPKMQPS-UHFFFAOYSA-N 386.456 0.722 0 40 GCAB C[C@H](CCc1ccco1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 47742251 PSBCFQKQLMMGAD-OLZOCXBDSA-N 381.454 0.882 0 40 GCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1nc2ccccc2s1 72405685 WSTHTHLRILBEPU-ZDUSSCGKSA-N 392.481 0.936 0 40 GCAB Cc1nc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)c(-n2cccn2)n1 79048138 BPMSGGJTCYURQS-OAHLLOKOSA-N 376.486 0.588 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(NC[C@H]1CCCO1)n2CC(=O)c1ccccc1 96306418 QCXYYDHRIPICNX-CYBMUJFWSA-N 383.408 0.897 0 40 GCAB O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@H]1CCN(c2ccccn2)C1 206826391 DLWGTPSQCJUCIQ-AWEZNQCLSA-N 378.429 0.894 0 40 GCAB COc1ccc(S(=O)(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1C(N)=O 390832082 XBWZPDYJEPKMDQ-LBPRGKRZSA-N 391.453 0.899 0 40 GCAB C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 584567150 GXXLUDOKHXEFBQ-SCVMZPAESA-N 383.495 0.660 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)N2CCCN([C@H]3CCSC3)CC2)C1=O 1565523776 VKXGSZGWPFGKSD-LBPRGKRZSA-N 376.504 0.317 0 40 GCAB O=C(NCc1cccs1)[C@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1 1614947974 QFTWNXVHEQABFU-ZDUSSCGKSA-N 389.481 0.920 0 40 GCAB O=C(C1CCC1)N1CCN(CCNC(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)CC1 1616044416 IDKRKDJYACWVDP-JQHSSLGASA-N 378.517 0.733 0 40 GCAB O=C(c1cnon1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595246 GCOWYMGNKRAXAH-QGZVFWFLSA-N 397.435 0.745 0 40 GCAB Cc1csc(C(=O)N2C[C@H]3O[C@@H](C2)[C@H]2[C@@H]3CN(CCN(C)C)S2(=O)=O)c1 2055739039 IZQAIBCNFTYRAP-HGTKMLMNSA-N 399.538 0.472 0 40 GCAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc(Br)n2Cc1ccccc1 828651 HUBWQKBHBPIZHK-UHFFFAOYSA-N 392.213 0.193 0 40 GCAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)N2CCCCC2)CC1 4937531 FJWHMEPFZJMCOI-UHFFFAOYSA-N 381.454 0.904 0 40 GCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc(Br)n2Cc1ccccc1 5387385 HMICMZAERLNUNM-UHFFFAOYSA-N 393.197 0.792 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NCc3cccs3)cc2)CCN1 24566334 QYSSENPWELXCIB-UHFFFAOYSA-N 379.463 0.799 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CCn2cc(Br)cn2)cc1 27968874 TYYNJZAUOCFSDW-UHFFFAOYSA-N 387.259 1.000 0 40 GCAB C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 30586011 FQZIUBHFTSLRML-LBPRGKRZSA-N 383.445 0.573 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)NCc2c(C)nc3c(c2C)c(=O)[nH]n3C)o1 72285340 DPRPZGGFJKWGSP-UHFFFAOYSA-N 393.425 0.310 0 40 GCAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N1CCC(n2ccnn2)CC1 206937625 ATOKWAKGZXTOMT-UHFFFAOYSA-N 381.433 0.949 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)cc1 225785301 DYPXIJPAANGAKV-ZDUSSCGKSA-N 376.438 0.308 0 40 GCAB CNC(=O)CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1OC 227150990 VYSRFLZDCZRANW-UHFFFAOYSA-N 383.470 0.736 0 40 GCAB CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc(C)nc3O)CC2)CC1 257302135 SBQZODVXVWTCIB-HXUWFJFHSA-N 390.484 0.617 0 40 GCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cn[nH]c3)[C@H](N(C)CCO)[C@H]2O)c1 257311011 UHNYMCGOVIJJRJ-BDXSIMOUSA-N 390.440 0.022 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)CC1 408606902 PHRNZWJEXJQGHR-ZDUSSCGKSA-N 399.469 0.663 0 40 GCAB O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)N1CC[C@](F)(CO)C1 585080643 YJQAUXYRYXGXLV-MRXNPFEDSA-N 389.424 0.982 0 40 GCAB COCCN1[C@@H]2CN(C(=O)c3c(F)cccc3F)C[C@@H]2OCCS1(=O)=O 1534645906 SAPPIWADKAHPGV-KGLIPLIRSA-N 390.408 0.466 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@]1(OCCO)CCSC1 1565520097 FJWNOXIAUITHHO-QGZVFWFLSA-N 382.438 0.032 0 40 GCAB O=C(CO[C@H]1CN(C(=O)CCc2cncnc2)[C@@H]2CCCO[C@H]12)N1CCCC1 1565547566 LEPNDVIODFBWRV-UWVAXJGDSA-N 388.468 0.807 0 40 GCAB COc1cnc(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)nc1 1889217670 ZQHUMCUUBGMAGU-UHFFFAOYSA-N 398.485 0.527 0 40 GCAB CC(C)CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 5228749 UCLSAUHLJHGIFK-CYBMUJFWSA-N 385.486 0.523 0 40 GCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 6451684 IGNOTPLFHMSGRO-UHFFFAOYSA-N 397.478 0.514 0 40 GCAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)N1CCOCC1 7735346 GFUIOUKLWNNSKW-UHFFFAOYSA-N 392.408 0.984 0 40 GCAB Cn1nc(CC(=O)OCC(=O)c2ccc(CC(N)=O)s2)c2ccccc2c1=O 7786092 FCXDDKOUBADWJZ-UHFFFAOYSA-N 399.428 0.991 0 40 GCAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(N2CCOCC2)cc1 7813446 VOIMRLSGLYVACD-SNVBAGLBSA-N 375.458 0.992 0 40 GCAB CCCn1c(N)c(C(=O)CN(CC)Cc2ccc3c(c2)OCO3)c(=O)[nH]c1=O 11351455 IKKPSRGECJOKFE-UHFFFAOYSA-N 388.424 0.962 0 40 GCAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)Cn2nc(O)c3ccccc3c2=O)C1=O 12742713 BGQDHFQLWDZOPB-GOSISDBHSA-N 397.347 0.194 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 14069272 DAGUGPCRVJORKW-ZBFHGGJFSA-N 394.497 0.407 0 40 GCAB COc1ccc(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 16574909 JCHYADCKALFOOS-UHFFFAOYSA-N 379.394 0.211 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(Cc3cnc(N4CCOCC4)nc3)C[C@H]21 19576669 IHNFODKSHIGLFO-WBVHZDCISA-N 382.468 0.867 0 40 GCAB CC(C)CN(C(=O)C1=NN(C)C(=O)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21758626 YZTDAQCLYHSJTB-UHFFFAOYSA-N 392.460 0.372 0 40 GCAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN2CCCC2=O)cc1 22625398 BWROXAMCOFKRFQ-UHFFFAOYSA-N 397.497 0.882 0 40 GCAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccsc2C(=O)OC)CC1 23058316 ZVSIQHVLLVBSIF-UHFFFAOYSA-N 396.512 0.627 0 40 GCAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCCO)C(=O)[C@H]1C2 36569466 BQIUWHXYFIWBAU-CQSZACIVSA-N 391.424 0.281 0 40 GCAB biogenic CCCNC(=O)NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 38641264 NEYVABTUIQEEMW-MRXNPFEDSA-N 390.440 0.206 0 40 GCAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2c(cnn2C)c1=O 39983717 PMXVDXQHOVEARP-UHFFFAOYSA-N 383.408 0.950 0 40 GCAB Cc1ccccc1CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 40162131 UCGXCZWOOUFREH-OAHLLOKOSA-N 377.466 0.819 0 40 GCAB CCn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260210 LPNRTHVCMRCRDA-UHFFFAOYSA-N 382.424 0.406 0 40 GCAB Cn1cc(CN2CCN(C(=O)CN3CCOCC3)CC2)c(-c2ccncc2)n1 98161988 NWNCQEPMMNGZIS-UHFFFAOYSA-N 384.484 0.459 0 40 GCAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccnc1-n1cncn1 103236313 ZICDWQMIPSIDMJ-GASCZTMLSA-N 382.424 0.844 0 40 GCAB COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222739037 GUUDNVUSSQZWBL-OAHLLOKOSA-N 399.513 0.448 0 40 GCAB O=C(NC1CCCC1)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O 225504107 DPTRJZRIVQSRAK-UWIFEVILSA-N 386.456 0.692 0 40 GCAB biogenic,in-vitro Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H](C[C@@H]3CCOC3)C(=O)O)ccc21 547556469 UAWQGKQKYSJETR-JQWIXIFHSA-N 383.426 0.035 0 40 GCAB O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12)c1cccnc1 575402483 BGXGHQUKYOHSBN-USXIJHARSA-N 388.449 0.542 0 40 GCAB Cn1cc(-c2nccnc2CNC(=O)Cn2cnc3ccccc3c2=O)cn1 575619029 FUIRXQFTPZGSLR-UHFFFAOYSA-N 375.392 0.903 0 40 GCAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1S(=O)(=O)c1cccnc1 585097033 FATVVPHDMMVBSO-AWEZNQCLSA-N 387.465 0.985 0 40 GCAB COc1ncc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)c1Br 617894656 NFKZJPFMASXHIZ-UHFFFAOYSA-N 385.174 0.520 0 40 GCAB O=S1(=O)N=C(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c2ccccc21 1889206521 LERXDSTWQZIEKG-UHFFFAOYSA-N 395.448 0.933 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2cccn2C)cc1 3322602 MJXOPLMYTDKSBF-UHFFFAOYSA-N 393.421 0.112 0 40 GCAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)NC(N)=O 3358494 ITMUADQBPVEUHM-VFNNOXKTSA-N 383.426 0.339 0 40 GCAB CC(C)OC[C@@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 4454239 RSSJWGNEQONMJM-ZDUSSCGKSA-N 379.461 0.954 0 40 GCAB O=C(O)CNC(=O)C1(NC(=O)CNC(=O)OCc2ccccc2)CCCC1 4896454 NCLXXOMWMSCLPH-UHFFFAOYSA-N 377.397 0.543 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)Nc1ccc(F)cc1 7988177 KABGTVYIOWBKOU-WFASDCNBSA-N 385.461 0.778 0 40 GCAB Cn1c(=O)c2nc(Br)n(CC(=O)N3CCCCC3)c2n(C)c1=O 9050944 GIYPLPSPRARCCF-UHFFFAOYSA-N 384.234 0.209 0 40 GCAB CCN1CCN(S(=O)(=O)CCNC(=O)COc2ccc(OC)cc2)CC1 12422842 TYRVOMOXTNRNHP-UHFFFAOYSA-N 385.486 0.158 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCc1nnc2n1CCCCC2 12924317 XHIRYFRFSQNHFA-UHFFFAOYSA-N 382.424 0.367 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 15820305 JASGPITUKWPASC-LBPRGKRZSA-N 399.469 0.829 0 40 GCAB Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ncccn3)CC1)OCC(=O)N2 20491707 IYXCMRRJALNISC-UHFFFAOYSA-N 389.437 0.627 0 40 GCAB COCCNC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23560672 UUGIUMNXSDWZBR-UHFFFAOYSA-N 391.453 0.547 0 40 GCAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(=O)[nH]nc2C)c1 31773551 NLZUWMQTUNVIMT-UHFFFAOYSA-N 392.393 0.777 0 40 GCAB COCCNC(=O)C1CCN(c2ccc(S(=O)(=O)NC(C)C)cn2)CC1 32829449 LESQFMZQZVCYQS-UHFFFAOYSA-N 384.502 0.747 0 40 GCAB CN1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)N2C 35442446 WCDXVSLUXSPPMB-ZVDOUQERSA-N 399.539 0.618 0 40 GCAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccccc2)CC1 39985313 ACIHJQQKHFAYHT-UHFFFAOYSA-N 383.470 0.998 0 40 GCAB CN(C)S(=O)(=O)N1CCN(Cn2nc(-c3ccccc3)ccc2=O)CC1 72405487 PLWHTCQJVVPGBE-UHFFFAOYSA-N 377.470 0.292 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225450839 LWAOCYFPCZLINK-ZDUSSCGKSA-N 380.474 0.735 0 40 GCAB Cc1ccccc1-n1c(CC2CCN(S(=O)(=O)N(C)C)CC2)n[nH]c1=O 225550498 DQQDLCBMDVHJNB-UHFFFAOYSA-N 379.486 0.930 0 40 GCAB NCCC(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643555550 AZEKHEYHXZWXGU-HXUWFJFHSA-N 375.469 0.854 0 40 GCAB Cn1cc(S(=O)(=O)NCc2noc([C@@H]3CCC(=O)N3CC3CC3)n2)cn1 1775964012 NSSRYFPVXKDRLJ-LBPRGKRZSA-N 380.430 0.355 0 40 GCAB biogenic,in-vitro COc1nn(C)cc1C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888906870 WZOVOPRCWUILAR-RYUDHWBXSA-N 382.428 0.314 0 40 GCAB CCOC(=O)CNC(=O)CSc1nnc(Cc2cccn2C)n1CCOC 4292197 NVWSFVYKNFXBET-UHFFFAOYSA-N 395.485 0.625 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 4998511 RJJONIPAQMKARU-UHFFFAOYSA-N 392.861 0.502 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)OC)c1 6433288 CMXJMZHNKWGFDX-DZGCQCFKSA-N 384.454 0.466 0 40 GCAB Cc1ccccc1N(CC(=O)N1CCN(c2ncccn2)CC1)S(C)(=O)=O 6648418 OKXKAVOUPGXDEL-UHFFFAOYSA-N 389.481 0.900 0 40 GCAB COc1cc(CCNC(C)=O)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC 12364299 YBLJSZDVQMRVIU-CQSZACIVSA-N 386.470 0.840 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(O)c(OCC)c1 13535612 ZWKBYKAJACRJQX-JKSUJKDBSA-N 391.424 0.829 0 40 GCAB Cc1cnc2c(C(=O)N3CCCC[C@H]3CCNS(=O)(=O)N(C)C)cnn2c1 19748949 CUSZLNICITUBPX-AWEZNQCLSA-N 394.501 0.819 0 40 GCAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 22930533 VDVRWCGNXCBLBJ-KRWDZBQOSA-N 386.496 0.441 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2COc3ccccc3O2)CC1 26310891 GLLQPZDGJWTQIF-CQSZACIVSA-N 383.470 0.940 0 40 GCAB CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 40123001 CUPMAOPUHGDLIG-UHFFFAOYSA-N 390.303 0.810 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 48280194 NHJWTRLVJOUALP-TXEJJXNPSA-N 387.440 0.952 0 40 GCAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)NC(=O)NC1CCCCC1 84543972 LECOPIHWHQIABO-UHFFFAOYSA-N 379.505 0.385 0 40 GCAB CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 95444194 CFDLEBRBESQIQT-CYBMUJFWSA-N 393.492 0.575 0 40 GCAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CCn2c(nnc2C(F)(F)F)C1 96344584 KEUHPCGZMBGKFX-UHFFFAOYSA-N 382.346 0.775 0 40 GCAB CCS(=O)(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 225958439 JNRCHHAZDJDTHP-UHFFFAOYSA-N 377.488 0.465 0 40 GCAB O=S1(=O)CC[C@@H](N(C[C@@H](O)CO)S(=O)(=O)c2ccc3ccccc3c2)C1 575424207 TXBNUMLTOLJWMH-HZPDHXFCSA-N 399.490 0.371 0 40 GCAB Cn1nccc1C(=O)N1CCC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 585101345 ZOABVLRPZVMDSP-LJQANCHMSA-N 382.424 0.883 0 40 GCAB C[C@H]1CN(CCN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 660228948 SJKPPCBVLWCPOL-IXDOHACOSA-N 375.535 0.222 0 40 GCAB CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C[C@]12CCOC2 1615589218 MMCPVSOUYQVFKQ-SFHVURJKSA-N 381.498 0.630 0 40 GCAB C=CC(=O)Nc1ccc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1 1653540924 SKQZDNGELHPWFG-HNNXBMFYSA-N 382.424 0.824 0 40 GCAB COCCN1C(=O)[C@H]2CN(Cc3cccc(OC)n3)CCN2C12CCOCC2 1772595464 ZMIKFKFGIPUNBV-QGZVFWFLSA-N 390.484 0.572 0 40 GCAB Cn1c(O)nc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1=O 1888866927 YUXUQAMASWIBGA-CHWSQXEVSA-N 376.438 0.243 0 40 GCAB CCCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 3027758 HAVGGMOTURFYRU-GFCCVEGCSA-N 389.499 0.518 0 40 GCAB COCCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(=O)OC)c(=O)n(C)c3nc12 4314367 LCLFBARLQRKWJO-NSHDSACASA-N 377.401 0.147 0 40 GCAB CC(C)[C@@H](C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495229 JDSCDQIBGBTLGW-GFCCVEGCSA-N 381.454 0.819 0 40 GCAB COc1cccc(NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)c1 4570986 ISKAQHSNNNFWPN-UHFFFAOYSA-N 389.437 0.710 0 40 GCAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCOCC2)C1=O 5263329 ZKIOMVKZVGWKAY-LJQANCHMSA-N 389.408 0.474 0 40 GCAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 6905252 TZSYVHWTBMCDRZ-AHSSXEFNSA-N 380.422 0.010 0 40 GCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC2=NCCS2)cc1 8717934 UGWMAZOJLDCSNZ-UHFFFAOYSA-N 375.453 0.134 0 40 GCAB COC(=O)[C@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@H]1c1ccc(F)cc1 12157187 OIAUAGOGXXMFCT-HZSPNIEDSA-N 377.372 0.529 0 40 GCAB CNc1snc(C)c1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 12520149 MLVLBRIZKFPNFZ-UHFFFAOYSA-N 378.414 0.097 0 40 GCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1=O 12758736 LLJIEGWVAVFLNG-UHFFFAOYSA-N 382.417 0.267 0 40 GCAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ncn[nH]2)CC1 13724961 MJGZXYXQRKPETJ-UHFFFAOYSA-N 396.498 0.617 0 40 GCAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)N1CCOCC1 14208613 KLAFMGVNUQGHGP-AWEZNQCLSA-N 396.465 0.717 0 40 GCAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 19868572 IGUZIPYSBQXVAF-UHFFFAOYSA-N 397.472 0.668 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 29185471 OGLCXTVXKASKNT-OKILXGFUSA-N 395.485 0.380 0 40 GCAB Cc1ccnn1-c1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 35307993 DZVMWFXLAKHWCY-UHFFFAOYSA-N 397.479 0.797 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38946522 SGABFBPKAIVQJF-GJZGRUSLSA-N 386.481 0.777 0 40 GCAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N(C[C@H]1CCOC1)C1CC1 40107953 GZUKVSNIKDIKNC-CYBMUJFWSA-N 384.454 0.942 0 40 GCAB CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 47430008 ZJYYAIKYUKHNEO-HNNXBMFYSA-N 388.468 0.390 0 40 GCAB O=C(c1cn2cccnc2n1)N1CCN(c2nnnn2-c2ccccc2)CC1 52563279 XGTJGBLFLHEXPH-UHFFFAOYSA-N 375.396 0.667 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 89512369 MSRRCXCRPOOTTR-ZDUSSCGKSA-N 391.453 0.286 0 40 GCAB CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 101220192 ZJNITTSQIVIBPV-XEZPLFJOSA-N 392.456 0.434 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1)c1cocn1 257220094 DJMPGDHNKSHBMP-BGTYHANMSA-N 391.399 0.825 0 40 GCAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O 257229289 FXNADUCCOLRIJH-HUUCEWRRSA-N 392.423 0.593 0 40 GCAB N[C@H](CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)O 257262239 LKRNWACIGPTMEY-CQSZACIVSA-N 387.440 0.269 0 40 GCAB CC(=O)Nc1nc(C(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCC[C@H]43)CC2)cs1 257312117 UMOXQOBGBKYNEI-UBHSHLNASA-N 393.469 0.998 0 40 GCAB CN1CCN(C(=O)c2ncn3c2CN(CC2CC2)C(=O)c2nccnc2-3)CC1 306126527 DYIXKPPWHHQRGH-UHFFFAOYSA-N 381.440 0.416 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 1565522799 QWKQQARQVAEIQV-CQSZACIVSA-N 383.470 0.036 0 40 GCAB Cc1csc(C(=O)N2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)c1 1565552624 QDFUSKIIWAEMPG-CQSZACIVSA-N 388.497 0.694 0 40 GCAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cnc(O)n(C)c2=O)C3)nc1 1888853780 OYIUGOBPNNTLDG-DJJJIMSYSA-N 385.424 0.906 0 40 GCAB CCOc1ccc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cn1 1889111442 NZXHJVBCJWUJIR-UHFFFAOYSA-N 387.440 0.277 0 40 GCAB O=C(OC[C@@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccccc1 5083202 HHSKNLJWHGXWPK-ZYNAIFEFSA-N 390.388 0.222 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnccn1 6341410 DXRIVNBXADNCRY-UHFFFAOYSA-N 378.410 0.758 0 40 GCAB O=c1[nH]n(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c2ccccc12 6733214 TUANVFMQAYZPBT-UHFFFAOYSA-N 387.417 0.700 0 40 GCAB Cc1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1C1CC1 6934766 TWUUPOCDUKLPKL-UHFFFAOYSA-N 375.458 0.851 0 40 GCAB CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 7777776 QJSGHWQLFSJLCI-UHFFFAOYSA-N 393.509 0.925 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nccn2C)CC1 10886368 VKSFOXBKSNQDKW-UHFFFAOYSA-N 399.498 0.650 0 40 GCAB Cc1ccccc1OC[C@@H](O)Cn1c(NC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12232259 DLOWKNGFLOJSIQ-ZDUSSCGKSA-N 387.440 0.992 0 40 GCAB COc1ccc(CC(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 12931142 BBFDXECQYARAJS-OCCSQVGLSA-N 399.465 0.824 0 40 GCAB CC(=O)N[C@H]1CNC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 19704254 LYQJTZQXDVGYIY-CQSZACIVSA-N 395.481 0.479 0 40 GCAB NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc1 32860086 DVPXCSYROPVCPG-UHFFFAOYSA-N 382.392 0.970 0 40 GCAB COCC(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321533 BBFHFNGSAUEOSO-VQIMIIECSA-N 378.425 0.711 0 40 GCAB biogenic,in-vitro Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 72335111 WVZPWIGGXDHXIR-HUUCEWRRSA-N 379.442 0.652 0 40 GCAB O=C(NCCO)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)nn1 79092127 YCOOKQIEBKVPCE-UHFFFAOYSA-N 381.440 0.169 0 40 GCAB CC[C@@H](O)CN1CCC(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 89943325 JRLRLRDLGXDFAC-CQSZACIVSA-N 381.502 0.790 0 40 GCAB Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2cn(C)cn2)CC1 96025872 FCLLFKBKSMNKNP-UHFFFAOYSA-N 384.487 0.411 0 40 GCAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCOCC2)N1CCOCC1 96052228 ZCCZPIBUOZONRU-KRWDZBQOSA-N 394.493 0.963 0 40 GCAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](Cn1cncn1)c1ccccc1 106531861 QHVGNVJAIXHOPM-HZPDHXFCSA-N 393.469 0.881 0 40 GCAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(C(=O)OC4)[C@@H](O)C[C@]13C)[C@@H]2O 257516601 PUJWFVBVNFXCHZ-LZQQGCDMSA-N 376.405 0.074 0 40 GCAB biogenic Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCN[C@@]1(C)CCS(=O)(=O)C1 575426689 YHQGYJLGIIRTFS-HNNXBMFYSA-N 390.483 0.138 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)NCC2(SC)CCOCC2)[C@H]1c1nccn1C 599595526 VPBFNDUFYJKLPT-GJZGRUSLSA-N 396.513 0.737 0 40 GCAB COC(CNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)OC 2975300 GVARHEWFFGGQST-UHFFFAOYSA-N 381.410 0.913 0 40 GCAB CC(C)Oc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 3362770 NAJXIZBKCXOKNS-UHFFFAOYSA-N 375.381 0.493 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c(=O)n(C)c1=O 3390346 NGQRWWQHMCKDMP-UHFFFAOYSA-N 387.179 0.408 0 40 GCAB CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 5027218 IZDFHHVPNPDEDP-MJBXVCDLSA-N 398.504 0.907 0 40 GCAB C[C@@H](NC(=O)c1ccn(C)n1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366290 MBXITXRPDLQCKF-ZBFHGGJFSA-N 385.468 0.890 0 40 GCAB O=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)CCCN1C(=O)CNC1=O)C2 19375188 PNXCFWXAWAHAEL-FQEVSTJZSA-N 384.436 0.666 0 40 GCAB CN(CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1CCCC1 20465746 GTXPYSRKMGBSFM-FUMNGEBKSA-N 376.497 0.957 0 40 GCAB biogenic,in-vitro CCNC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 60239916 MWPMEKIVYKBAHY-SHYRYGCCSA-N 378.473 0.862 0 40 GCAB Cn1c(CNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n[nH]c1=S 95461183 CFISDPORYDODFG-UHFFFAOYSA-N 399.440 0.721 0 40 GCAB CCS(=O)(=O)CCN1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 253488266 ACOAVYFXPJWBSD-MRXNPFEDSA-N 377.470 0.386 0 40 GCAB CCN1C(=O)C[C@@H](C(=O)N2CCn3c(CO)nnc3C2)[C@@H]1c1ccc(OC)cc1 257201759 AIYAXNLUPAGUOU-BEFAXECRSA-N 399.451 0.731 0 40 GCAB COCCOc1cc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OC 257298415 RLMUMUPGKXYIEB-RTBURBONSA-N 382.457 0.154 0 40 GCAB CN[C@H]1CC2(CCN(C(=O)c3cccc(OCCN)c3)CC2)OC[C@]1(C)O 257319107 VQUASNDUGOPHAC-HKUYNNGSSA-N 377.485 0.758 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)CC1 285000711 IBFIZYVOEGEJMT-AWEZNQCLSA-N 397.497 0.914 0 40 GCAB C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)c2)NC(=O)NC1=O 519081130 NONXZCVEBIECPL-LJQANCHMSA-N 378.344 0.877 0 40 GCAB C[C@@H](NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2)c1nc[nH]n1 583623147 UGGXCXGDHDLDOO-OLZOCXBDSA-N 394.439 0.880 0 40 GCAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 643971865 FBLMVSCJMUQFBP-MRXNPFEDSA-N 383.426 0.131 0 40 GCAB COCCN1C[C@]2(COCC1=O)CN(C(=O)c1cc(C)cs1)C[C@H]2N(C)C 1565545777 LXWJEYZHSBSTFN-VQIMIIECSA-N 395.525 0.934 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5cnn(C)c5)C[C@H]4C3)n1)CCC2 1888890050 BZXGEVCSICDUPC-OKILXGFUSA-N 388.497 0.764 0 40 GCAB Cc1nc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc(-n2cccn2)n1 2086889366 PAICMGSRIMEQGY-HOTGVXAUSA-N 399.499 0.729 0 40 GCAB COc1ccc(Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 3215220 MXGILZOYCNGVJI-UHFFFAOYSA-N 385.424 0.327 0 40 GCAB CNC(=O)CSc1nc(-c2ccccc2C)nc2c1c(=O)n(C)c(=O)n2C 5056545 GVHBTTYLMOTORU-UHFFFAOYSA-N 385.449 0.841 0 40 GCAB Cc1cc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)n1C1CC1 8133142 IZVJOQHJWOQBGK-CQSZACIVSA-N 381.454 0.978 0 40 GCAB NS(=O)(=O)Cc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1 10706323 ACNMSTCHLGVMIR-UHFFFAOYSA-N 386.433 0.501 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC3)CC2)cc1 12594512 HOCFQDSKKLJGJS-UHFFFAOYSA-N 379.482 0.840 0 40 GCAB NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 13042277 DGQATZFUMPTZLN-CQSZACIVSA-N 394.497 0.607 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O 14183698 DTXDCYWMPZCXIP-OAHLLOKOSA-N 397.229 0.931 0 40 GCAB CCc1noc(C)c1C(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15934911 OLSPDYCURQRSRY-UHFFFAOYSA-N 393.444 0.927 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566406 FEVMCZQGRMLCIT-NHDNYEFZSA-N 398.463 0.699 0 40 GCAB COc1ccccc1CN1CNc2nc3c(ncn3COCCO)c(=O)n2C1 31820377 OQSJMGUJFMFVGJ-UHFFFAOYSA-N 386.412 0.411 0 40 GCAB COc1ccc(CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1O 32933065 AYVXVZGCXZWEGR-UHFFFAOYSA-N 383.412 0.766 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)NC(C)C)cc1 36354688 YZLATPUMNBAQQO-OAHLLOKOSA-N 396.469 0.049 0 40 GCAB CN(c1ccccc1C(=O)NCc1cccnc1-n1cncn1)S(C)(=O)=O 48253130 ODHJJJJUJITXFM-UHFFFAOYSA-N 386.437 0.988 0 40 GCAB COC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 57327852 BDLDEGJVENZYOT-CYBMUJFWSA-N 381.454 0.294 0 40 GCAB COCCN(C)CCCNC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 58014292 GWIJXNKHTACYMY-QGZVFWFLSA-N 378.452 0.989 0 40 GCAB NS(=O)(=O)NC[C@@H]1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 60381376 VRNHWODSWFWTKX-ZDUSSCGKSA-N 387.469 0.801 0 40 GCAB CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)O)CC1 71282111 AYFLUXSECOYNRN-CQSZACIVSA-N 391.424 0.651 0 40 GCAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NC3CC3)cn12 96156679 SHJCACZIMQMYCK-OAHLLOKOSA-N 378.440 0.905 0 40 GCAB CCOC(=O)C1=C(C)NC(=O)[C@@H](C(N)=O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 100256774 YDEGCCMUNPUWPP-HUUCEWRRSA-N 392.408 0.864 0 40 GCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CCNS(=O)(=O)CC)C1 253490293 IBNOKLQJSBFEED-AWEZNQCLSA-N 378.520 0.004 0 40 GCAB CC(=O)N1CCN(c2nnc(C)c3cc(C(=O)NCCN(C)C)ccc23)CC1 306131686 KMJVVGDNYYZOKW-UHFFFAOYSA-N 384.484 0.898 0 40 GCAB NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 575421998 LLFJYGMFYDHCQR-LLVKDONJSA-N 397.316 0.586 0 40 GCAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 604419330 UBXZGXFALQDTLO-AWEZNQCLSA-N 393.359 0.296 0 40 GCAB CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@H]3CC[C@@H](C4CC4)N3)CC2)CC1 653150022 OYBRGSWVRCZAAA-RBUKOAKNSA-N 391.560 0.214 0 40 GCAB COc1ccc(C2=NO[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)c(OC)c1 5207622 MMIUEZZKGYPKGN-LBPRGKRZSA-N 399.407 0.644 0 40 GCAB O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 5496572 XFJOBTJBGUCADD-DIAJFCACSA-N 391.468 0.483 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ncn[nH]3)CC2)cc1 5736788 HLGQXKLGJXHWJZ-UHFFFAOYSA-N 381.483 0.738 0 40 GCAB C[C@@H](OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC2CC2)n1)C(=O)NC1CC1 7034678 GRALTYDTPGFBIN-GHMZBOCLSA-N 389.408 0.729 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)NC3CC3)C2)cc1 9485308 SKZALZKDVDWJAG-ZDUSSCGKSA-N 395.481 0.491 0 40 GCAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(C(=O)c2ccco2)CC1 12606629 YAOPAKKBQQGYGU-UHFFFAOYSA-N 396.403 0.658 0 40 GCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12987077 IWYWMMCOGCDINT-UHFFFAOYSA-N 392.423 0.761 0 40 GCAB Nc1nccnc1C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 22109089 CAPOTNCBXRCKMB-UHFFFAOYSA-N 375.410 0.262 0 40 GCAB CN(CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 28426048 YRFIKNCDZCDBQH-NVXWUHKLSA-N 393.509 0.665 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 29890047 FYEGFIMUJUPGAE-OAHLLOKOSA-N 379.505 0.731 0 40 GCAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 30251668 AEFJCLFHYXBOPB-UHFFFAOYSA-N 385.511 0.572 0 40 GCAB CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)CCCNC1=O 31160867 QWWUZAJFCIZIIQ-SOUVJXGZSA-N 383.489 0.890 0 40 GCAB biogenic,in-vitro O=C(CCS(=O)(=O)Cc1nc(Cc2ccccc2)no1)N1CCOCC1 32929969 HFMDHEUIZHBQSI-UHFFFAOYSA-N 379.438 0.824 0 40 GCAB COc1ccc(NC(=O)C(=O)NC(C)(C)CO)cc1N1CCCCS1(=O)=O 40287453 WSMZEJLGRBYVJB-UHFFFAOYSA-N 399.469 0.451 0 40 GCAB Cn1ccnc1CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 57593496 CIFAJWVNKKPOBT-UHFFFAOYSA-N 378.483 0.931 0 40 GCAB Cc1nc(C2(NCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CCCCCC2)no1 63512291 KHQHCGXAHARCTB-UHFFFAOYSA-N 390.444 0.380 0 40 GCAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 77200008 IPQZPQHRVHDSLM-HNNXBMFYSA-N 381.454 0.456 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1nnc2ccccn12 96223895 RBCOOPQKKQWMQM-HNNXBMFYSA-N 392.419 0.899 0 40 GCAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(N)=O)[C@@H]2C(N)=O)cc1 96318965 FDRDLEDRBRPMKE-AEJSXWLSSA-N 393.446 0.416 0 40 GCAB CS(=O)(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@@]2(c2ccccc2)C1 107805914 FNDURJOUAYTPMD-PBHICJAKSA-N 375.454 0.480 0 40 GCAB CC(C)NC(=O)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223348989 RZEUEBXTDURWNS-AWEZNQCLSA-N 375.425 0.937 0 40 GCAB CCc1ncnc(O[C@@H]2CCN(C(=O)N3CCN(CC)C(=O)C3=O)C2)c1F 390829205 XFXRLYQPXHOEBB-LLVKDONJSA-N 379.392 0.442 0 40 GCAB CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)N[C@H]2CCN(C3CC3)C2)cn1 506615185 XYAQBWONFSQLBJ-HOCLYGCPSA-N 381.502 0.621 0 40 GCAB CC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@@H](CO)C1 585284413 RQGXVJXBMKBAHO-QGZVFWFLSA-N 379.476 0.930 0 40 GCAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCNC1=O 643559939 VFPURBBBQIXFCH-KBPBESRZSA-N 391.424 0.299 0 40 GCAB Cc1nc(C(=O)N2CCO[C@]3(COCCN(CC(=O)N(C)C)C3)C2)cs1 1614934502 QVUZIAAMFODRJF-KRWDZBQOSA-N 382.486 0.083 0 40 GCAB O=C(CN1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@H]1CCCO1 2087065429 GPJXKJYFAQJERA-KGLIPLIRSA-N 375.416 0.240 0 40 GCAB COCCn1c(C)cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 4251068 WOQYDTRVXWROLC-UHFFFAOYSA-N 388.472 0.590 0 40 GCAB CN(C)CCCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6758102 XOJBUCVCNGHDOQ-UHFFFAOYSA-N 382.486 0.705 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2ccccc2)CC1 14085034 FFTVTELJBSLYKB-CYBMUJFWSA-N 382.486 0.664 0 40 GCAB CN1CCc2c(n(C[C@H](O)CN3CCN(CCO)CC3)c3ccccc23)C1=O 19831851 LARLRNCEQRCZLJ-MRXNPFEDSA-N 386.496 0.240 0 40 GCAB CCOc1ccccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20567891 GRDJWXCORFOKMA-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB O=C(Nc1nc2c(s1)CCC2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23040839 JZHKNNMZVOGJQE-VIFPVBQESA-N 382.467 0.736 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 25291280 ZENFJGMWMWQJSE-UHFFFAOYSA-N 382.486 0.206 0 40 GCAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 25589523 IXUGLICUDVYVTA-UHFFFAOYSA-N 395.481 0.306 0 40 GCAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 40145541 FEMRECAVNRNION-UHFFFAOYSA-N 396.451 0.483 0 40 GCAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 69198875 JZVRETOHPZBWJW-UHFFFAOYSA-N 376.456 0.108 0 40 GCAB Cn1ccnc1CN1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1=O 96269105 NMLFKFULQXOOTI-AWEZNQCLSA-N 393.444 0.870 0 40 GCAB biogenic,in-vitro CCCn1c(N)c(N(CCOC)C(=O)/C=C\c2csc(C)n2)c(=O)[nH]c1=O 96936686 SSZFAOQSIVULLG-WAYWQWQTSA-N 393.469 0.987 0 40 GCAB CCn1c(=O)c(C(=O)Nc2nnc(S(N)(=O)=O)s2)c(O)c2ccccc21 100820671 LSLKKTOWJACEDB-UHFFFAOYSA-N 395.422 0.478 0 40 GCAB CS(=O)(=O)N1CCN(Cc2c(O)occ(CN3CCCCCC3)c2=O)CC1 101373229 STUNMEKDNQRQAB-UHFFFAOYSA-N 399.513 0.799 0 40 GCAB CCCn1c(C(=O)N2CC[C@H](n3ccnn3)C2)cc2c(=O)n(C)c(=O)n(C)c21 206929075 ZTBKIKCLJPUIES-LBPRGKRZSA-N 385.428 0.127 0 40 GCAB COc1cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(C)=O)cc1OC 223312828 RCGCYHIOOZNENY-UHFFFAOYSA-N 397.409 0.105 0 40 GCAB O=C(c1cn(C[C@H](O)c2ccccc2F)nn1)N1CCN(c2ncccn2)CC1 225580855 BHQQPAXWNPYLPI-KRWDZBQOSA-N 397.414 0.903 0 40 GCAB Cc1nnc2c(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nccn12 225799199 RWOJIYWLOMSHKT-MRXNPFEDSA-N 380.408 0.921 0 40 GCAB COc1cccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)c1 306126326 DSSLZWLHMYVCGY-NRFANRHFSA-N 398.463 0.999 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 575406558 YAEROBXTXDGXNP-PVAVHDDUSA-N 377.485 0.888 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1 575421057 MRFUOPRJMJBGQR-LSDHHAIUSA-N 376.500 0.435 0 40 GCAB Cc1cc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCCCn4ccnc4)C3)C2)n[nH]1 2056226102 KLXZRTMYQXPCDC-IEBWSBKVSA-N 388.472 0.481 0 40 GCAB OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O 2126594 NLRXQZJJCPRATR-UVPYHEFZSA-N 385.210 0.781 0 40 GCAB in-vitro CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CCOCC)c(=O)n1C 4316683 JBKDBLCZCXWQKT-CYBMUJFWSA-N 392.460 0.727 0 40 GCAB CC(C)n1c(=O)n(CC(=O)NCCN)c(=O)c2c3c(sc21)COC(C)(C)C3 6759413 HHHCEWPUYOHTMY-UHFFFAOYSA-N 394.497 0.732 0 40 GCAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 6948294 HUYDZCKXKHTYOA-UHFFFAOYSA-N 395.799 0.433 0 40 GCAB Cc1cc(C)n2nc(SCCn3cnc4c3c(=O)n(C)c(=O)n4C)nc2n1 9222761 LBYZCRJCTLSUTR-UHFFFAOYSA-N 386.441 0.281 0 40 GCAB CC(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 9843448 HPDNMENBUBOTGI-UHFFFAOYSA-N 396.403 0.860 0 40 GCAB Cc1cccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)o2)c1 10015542 RJENVZWQBJRUJJ-UHFFFAOYSA-N 387.421 1.000 0 40 GCAB CN(C)c1nc(N)nc(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1 14124214 SKXSYQJLSSPVSC-UHFFFAOYSA-N 388.472 0.896 0 40 GCAB Cn1nc2c(c1C(=O)N1CCO[C@@](C)(C(=O)N3CCOCC3)C1)CCCC2 19746942 FWLXNOQRMZEKOR-LJQANCHMSA-N 376.457 0.389 0 40 GCAB CNC(=O)c1cc([C@@H]2CN(CC(=O)NCCOC)CCO2)nc2ccccc12 19762427 JPYVLPRUJYONKP-SFHVURJKSA-N 386.452 0.730 0 40 GCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)c(C(=O)O)c1 21174299 OSHCRQDWYIJKSA-UHFFFAOYSA-N 376.346 0.874 0 40 GCAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1cnc2c(cnn2C)c1=O 23184299 AOEJWPKBTZTUEN-CYBMUJFWSA-N 383.408 0.819 0 40 GCAB CS(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 54172969 SUJRDYOKVUSUSA-UHFFFAOYSA-N 390.391 0.758 0 40 GCAB COCCNC(=O)NC(=O)CN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 57574388 VGSPKPKYZUXBIB-OAHLLOKOSA-N 383.470 0.148 0 40 GCAB CC(=O)NCCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 58277684 CFHNWHNBVOEZEQ-UHFFFAOYSA-N 377.260 0.616 0 40 GCAB O=C1N[C@@]2(COC3(CCN(C(=O)CN4CCCC4=O)CC3)C2)Nc2ccccc21 72325349 JMFAYSIBAGZTME-NRFANRHFSA-N 398.463 0.942 0 40 GCAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccccn3)[C@@H]2O)cc1 77264743 OVASXNYRPJEXEX-KURKYZTESA-N 377.466 0.586 0 40 GCAB biogenic,in-vitro CCCN1CCCN(C(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)CC1 79107597 OTGWCKMNSCSBMU-UHFFFAOYSA-N 399.513 0.926 0 40 GCAB COCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 97096747 URNXGHOOCOFBMX-UHFFFAOYSA-N 377.469 0.869 0 40 GCAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)C[C@H](O)C4=C(COC4=O)[C@@H]1C[C@@H]1O[C@]13[C@@H]2O 257516604 PUJWFVBVNFXCHZ-ZLIJTARMSA-N 376.405 0.074 0 40 GCAB biogenic NC(=O)c1cc([C@@H]2CCCN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)C2)[nH]n1 546042421 MUHIRGPHUSUGSA-CQSZACIVSA-N 396.451 0.884 0 40 GCAB CN1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCc4c(nnn4C)C3)ccn2)CC1 585090811 MMYQUYJYDOLMIA-CYBMUJFWSA-N 398.471 0.277 0 40 GCAB O=C(NC[C@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cnccn1 585183675 ZWNMKHYDXZOHHO-HXUWFJFHSA-N 395.419 0.591 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3C)C2)CC1 585286686 HQLKPAOARFQCFZ-NRFANRHFSA-N 392.496 0.811 0 40 GCAB Cc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1S(N)(=O)=O 605661888 FIXNCYOSVIYXCT-HNNXBMFYSA-N 394.497 0.197 0 40 GCAB C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)n1cnc2c(N)ncnc21 615677981 KFMGEUVUOKFTFG-FRRDWIJNSA-N 379.424 0.777 0 40 GCAB C[C@@H]1Cc2cc(C(=O)N3CCC(c4nn[nH]n4)CC3)ccc2N1S(C)(=O)=O 1636174793 TZAIDBWVGKZLEE-LLVKDONJSA-N 390.469 0.930 0 40 GCAB C[C@@H]1CN(C(=O)CN2CCN(c3cc(N4CCCC4)ncn3)CC2)C[C@@H](C)O1 2086889133 DNTIDROXPIKHFN-IAGOWNOFSA-N 388.516 0.835 0 40 GCAB C[C@@H](O)CNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 838204 HKYIKKDBUBUYLK-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB biogenic CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)C1=O 6509827 VDUYUJCZXFGXAY-UHFFFAOYSA-N 390.396 0.378 0 40 GCAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 6863575 IPHAWXRXLSKQAZ-FZCLSBEQSA-N 388.420 0.938 0 40 GCAB COc1cc([C@@H]2C/C(=C3\C(=O)N=C(O)N(C)C3=O)NN2)cc(OC)c1OC 8971046 FHOSRNJYSKYHSV-FWSONLODSA-N 376.369 0.418 0 40 GCAB C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 9077123 GQPNKJOPRFAKQF-SNVBAGLBSA-N 398.466 0.864 0 40 GCAB CCOC(=O)c1nnn(CC(=O)NC(=O)Nc2ccccc2)c1C(=O)OCC 9938594 WMJOFUZIJGGSRY-UHFFFAOYSA-N 389.368 0.980 0 40 GCAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12801623 LBJMXQMAAGPQGK-CYBMUJFWSA-N 391.501 0.587 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCc2ccco2)cc1 14246570 AGRQKBYLEBJORU-HNNXBMFYSA-N 395.437 0.517 0 40 GCAB O=C1N[C@H]2NC(=O)N(CCC(=O)N3CCC(Oc4ccccc4F)CC3)[C@@H]2N1 19350122 XIHKNPBTLGYGON-HOTGVXAUSA-N 391.403 0.576 0 40 GCAB CNc1nc(C2CCNCC2)nc2c1CN(CC(=O)N[C@@H](C)COC)CC2 19711073 VAQDIHCXJXIUIE-ZDUSSCGKSA-N 376.505 0.495 0 40 GCAB O=C(Cn1cccn1)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 19749506 XAXDEMCJOIEZFP-KRWDZBQOSA-N 390.465 0.708 0 40 GCAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCCN2CCOCC2)cc1 22583929 IJCAHFAZIVYCAS-OAHLLOKOSA-N 398.529 0.624 0 40 GCAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cn2nnc3ccccc3c2=O)C[C@@H](C)O1 48333383 FZJSJNZSIZXRJH-OAGGEKHMSA-N 385.468 0.892 0 40 GCAB CN1CCN(C[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)CC1 58156254 LAJLETNNRDFBQX-FZKQIMNGSA-N 382.411 0.340 0 40 GCAB COc1ccccc1OC[C@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 71280315 PCKOJSGOMYIKSB-QGZVFWFLSA-N 377.485 0.675 0 40 GCAB O=C(c1cccc(-n2cnnn2)c1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099610 OIQAVDQQNWSURN-UHFFFAOYSA-N 390.363 0.640 0 40 GCAB CS(=O)(=O)N[C@@H](CC(=O)NCCSc1ncn[nH]1)c1ccc(F)cc1 225943246 LGWAZTYBWDGTMF-LBPRGKRZSA-N 387.462 0.833 0 40 GCAB CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1OC 262177947 WBSCVYXBSFUQSG-SNVBAGLBSA-N 376.818 0.946 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@H]2C1 306139728 TYTBXXCZIJLSJD-QWHCGFSZSA-N 375.454 0.984 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1Cl 409357471 JJHJVPARKGBYHJ-UHFFFAOYSA-N 376.862 0.858 0 40 GCAB NC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n1 509696307 AEFLBZKAZCAGPG-UHFFFAOYSA-N 375.366 0.798 0 40 GCAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(CCO)CC2)C1 585290671 SOWBANUAOSEMJL-QUCCMNQESA-N 396.915 0.911 0 40 GCAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccn2)CC1 8547737 XENYSVBSDBKBEU-CQSZACIVSA-N 389.485 0.688 0 40 GCAB COc1ccc(CNC(=O)CN2CCC(NS(C)(=O)=O)CC2)cc1OC 11103999 BOWYVTZVHPODDP-UHFFFAOYSA-N 385.486 0.334 0 40 GCAB O=C(O)CNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12408030 RRMPJKJQTLKDSH-UHFFFAOYSA-N 384.439 0.293 0 40 GCAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(c2ccc3nnnn3n2)CC1 12919234 ZPYQMGAOLKYQAL-CQSZACIVSA-N 395.423 0.692 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22877479 OBKCKXOQRZZHBO-HOCLYGCPSA-N 396.513 0.458 0 40 GCAB Cn1c([C@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)NC2CCCCC2)c1=O 23141251 QRVPAAMZTJFARM-ZDUSSCGKSA-N 399.517 0.170 0 40 GCAB NC(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 33028254 KJYAUFMLYCDDHQ-UHFFFAOYSA-N 388.877 0.621 0 40 GCAB O=C(NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2c[nH]cn2)[C@@H]1O)C1CCCC1 77263735 FNYOHWJQUHMKRM-KURKYZTESA-N 388.472 0.570 0 40 GCAB biogenic,in-vitro CN(C)Cc1ccc(CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 89745393 PNFDZASMKONAEQ-UHFFFAOYSA-N 381.436 0.624 0 40 GCAB CCN(C(=O)COC(=O)C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 89960936 DMAOSMASOVIQRF-NWDGAFQWSA-N 381.541 0.804 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc(N(C)C)n1 575607735 PVIZIMPOZGBWPF-UHFFFAOYSA-N 392.441 0.309 0 40 GCAB Cc1cc2c(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nccn2n1 1889149416 WIHRTPSPUGZQIJ-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB Cc1c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2109729 SSZVGMXOKPZNCV-UHFFFAOYSA-N 396.783 0.710 0 40 GCAB biogenic COCCn1c(C)cn2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc12 4314189 UWWBSAGYHYNCMT-UHFFFAOYSA-N 395.419 0.987 0 40 GCAB COCCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 4519017 GXXMIMRZBNLLIK-MRXNPFEDSA-N 394.449 0.982 0 40 GCAB O=C(NCCO)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519201 YZJPQMHOQAGTNP-AWEZNQCLSA-N 384.385 0.158 0 40 GCAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8755854 HSZQSEBUIYIZNE-UHFFFAOYSA-N 389.433 1.000 0 40 GCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCOC)c2cc(Br)ccc21 9305070 LUAFYKLYSPZHSZ-LBPRGKRZSA-N 384.230 0.736 0 40 GCAB CN(CC(=O)Nc1ccccc1Br)Cc1cc(=O)n(C)c(=O)n1C 11294746 KVWADEXJXSIWHI-UHFFFAOYSA-N 395.257 0.917 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 12118926 AUJAEBIVYMRTQN-RYUDHWBXSA-N 379.442 0.413 0 40 GCAB Cn1c(=O)c2c(ncn2C[C@@H](O)COCc2ccccc2Cl)n(C)c1=O 12629494 ASMLPMWVYBESRT-GFCCVEGCSA-N 378.816 0.665 0 40 GCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NN1C(=O)NC2(CCCCC2)C1=O 12903801 KMBAVBRQBDABHA-UHFFFAOYSA-N 399.407 0.366 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O 13815953 POAZJDHFVYHISL-UHFFFAOYSA-N 385.355 0.759 0 40 GCAB CCCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 14122741 HSTYUQZAJHDVTG-OAHLLOKOSA-N 375.473 0.867 0 40 GCAB CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccco3)=C2)c1C 19523902 ATNCEASYDPWNIS-UHFFFAOYSA-N 377.426 0.984 0 40 GCAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)O2 19562141 OZINMNXIZUJGRI-HXUWFJFHSA-N 387.436 0.847 0 40 GCAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc21 40005742 OPLXWTDKBBJOAK-MRXNPFEDSA-N 386.495 0.841 0 40 GCAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1=O 77100204 UYJFFTZCLFGWFN-KPKJPENVSA-N 378.392 0.827 0 40 GCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2nccnc2-c2cncc(C(=O)O)c2)C1 257294202 QTANUVHNGUYLAI-LBPRGKRZSA-N 391.453 0.908 0 40 GCAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccn2)C1 585286283 YKSOSAJMFWDLKF-ZWKOTPCHSA-N 377.466 0.358 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CCN(C4CCOCC4)C3)cc21 1888896949 ILWAFIPNRCMABX-LBPRGKRZSA-N 381.454 0.663 0 40 GCAB CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 3874449 VVHDYJFDZYHAMR-XMDUPGNXSA-N 398.423 0.194 0 40 GCAB in-vitro CCC(CC)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495244 NMYYJLFOPZFEMQ-UHFFFAOYSA-N 381.454 0.963 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCCSC(=N)N 4730658 WJDIJLWVFOVRQC-UHFFFAOYSA-N 375.252 0.593 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(=O)n(C)c1=O 6599985 HKKXLFRMONIXFR-UHFFFAOYSA-N 383.763 0.427 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCO)C2)cc1Cl 9974633 JOTTYVQCFBQWKL-NSHDSACASA-N 376.862 0.858 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 10374760 LYTXBBUWKACARV-UHFFFAOYSA-N 396.469 0.362 0 40 GCAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 12797660 YDIAMCLQQQXYFR-LBPRGKRZSA-N 388.417 0.285 0 40 GCAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CS2 15940943 SODPXAXYPJOXSX-BBRMVZONSA-N 383.495 0.447 0 40 GCAB O=C(Cc1ccccc1F)Nc1cnn(CC(=O)N2CCS(=O)(=O)CC2)c1 19749839 FXWMFJQJZYSVLM-UHFFFAOYSA-N 394.428 0.460 0 40 GCAB C[C@@H]1CN(C(C)(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 21064564 UTXQMLADFJQYMN-ZIAGYGMSSA-N 375.535 0.662 0 40 GCAB CCN1CCN(C(=O)[C@H](C)N2CCCN(CC(=O)NC(C)(C)C)CC2)CC1 22932225 GJSQBPYDFYYCBI-KRWDZBQOSA-N 381.565 0.461 0 40 GCAB Cn1c(=O)n(C)c2nc(Br)c(CC(=O)c3ccccc3)n2c1=O 28527024 QKHCOXSKXTVFMN-UHFFFAOYSA-N 377.198 0.920 0 40 GCAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70999334 PRQZHHGAQKQXHM-ZUZCIYMTSA-N 380.364 0.928 0 40 GCAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC(=O)c1ccccc1 96010102 HMLATXSFKPWECS-GASCZTMLSA-N 384.388 0.828 0 40 GCAB COc1ccc(S(=O)(=O)C2CCN(C(=O)Cn3ncccc3=O)CC2)cc1 96099624 ONSFETLNWNEWQS-UHFFFAOYSA-N 391.449 0.717 0 40 GCAB CN(C)c1ncc(NC(=O)COc2ccc(-n3cccn3)nn2)c(N(C)C)n1 96121404 NUPMYCBLECAVKY-UHFFFAOYSA-N 383.416 0.602 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCOCC1 96223068 FWWKHZQJPIMPDS-ZDUSSCGKSA-N 375.381 0.475 0 40 GCAB CCN1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3ccncn3)CC[C@@H]12 96263643 SOLOBZHWAPXWOS-YLJYHZDGSA-N 387.484 0.652 0 40 GCAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)cc12 97012690 HMVSJHIJTQGFPC-HNNXBMFYSA-N 376.442 0.772 0 40 GCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)no1 102617758 WKTICRXQEWRBTH-HKWCOGSCSA-N 375.381 0.884 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 223046052 POJLVJSXUKQHCE-UHFFFAOYSA-N 383.514 0.708 0 40 GCAB O=C(COc1ccc(-n2cccn2)nn1)NCc1nccc(N2CCCC2)n1 224157326 WTTMPYHSAWEUCL-UHFFFAOYSA-N 380.412 0.748 0 40 GCAB CSc1c(F)cccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O 657610266 MRSMWKNDSLGCSB-UHFFFAOYSA-N 375.447 0.638 0 40 GCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@@]2(C1)CN(c1ccsc1)C(=O)CO2 1142640190 PWZDIVOTNSCHBA-YQYZPQCESA-N 378.450 0.601 0 40 GCAB CCC(=O)N1CCN2CC(=O)Nc3cc(-c4ncnn4C)ccc3OC[C@H]2C1 1772594480 DUOMJFVNBFXMKO-CQSZACIVSA-N 384.440 0.736 0 40 GCAB O=C(CN1CCOCC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746188 WOYHCXKEWBRCCM-UHFFFAOYSA-N 393.513 0.527 0 40 GCAB CCOCCn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4930422 SXGZBAIJCVXMAA-ZIAGYGMSSA-N 377.489 0.948 0 40 GCAB COCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440194 LFACFSSFPGPXLQ-CWLKWCNXSA-N 388.399 0.992 0 40 GCAB biogenic,in-vitro CN(Cc1ccccc1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6637120 QQYARWXADDODBD-UHFFFAOYSA-N 375.816 0.746 0 40 GCAB COc1ccc(CC(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 12931128 BBFDXECQYARAJS-TZMCWYRMSA-N 399.465 0.824 0 40 GCAB COCCn1c(N)c(C(=O)CN2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]c1=O 12973723 UXHWERFTQGAUJU-VIFPVBQESA-N 378.351 0.222 0 40 GCAB CCn1cnc2sc(C(=O)NCCS(=O)(=O)N3CCCC3)c(C)c2c1=O 19660301 NTLXLOQJHHSTSM-UHFFFAOYSA-N 398.510 0.942 0 40 GCAB Cc1nn(C)cc1CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 22387923 BTBISFCUPPWYJS-UHFFFAOYSA-N 383.518 0.044 0 40 GCAB O=C(CN1CSCC1=O)NCCNS(=O)(=O)c1cccc(Cl)c1 23131600 HMEVOLRFSYJQFK-UHFFFAOYSA-N 377.875 0.267 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1 24992783 SSEKFHVYFKARHT-UHFFFAOYSA-N 388.453 0.720 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 25210437 ZTXSURLHIKKTAO-UHFFFAOYSA-N 396.391 0.587 0 40 GCAB CN(C)c1ccc(CN2CCn3nc(CN4CCN(C)[C@@H](CO)C4)cc3C2)cn1 72137127 WCYPNWGPPVJHKQ-HXUWFJFHSA-N 399.543 0.468 0 40 GCAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)C2)n1 79502013 ZZHJIFXWJNRSAG-OAHLLOKOSA-N 381.502 0.414 0 40 GCAB O=S(=O)(NCCCc1cnc2ncnn2c1)c1ccc2c(c1)OCCO2 225646418 LDCXIJGMQDCWRZ-UHFFFAOYSA-N 375.410 0.807 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408597459 WMMTXTOTBFQNNM-UHFFFAOYSA-N 385.486 0.201 0 40 GCAB COC(=O)c1ccc2nc(CN3CCC[C@H](CNS(N)(=O)=O)C3)[nH]c2c1 595314645 VFOLPVZNFIEADM-LLVKDONJSA-N 381.458 0.355 0 40 GCAB NC(=O)c1cn([C@H]2CCN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)C2)nn1 616434272 GZIOWLVXPLOHSB-LBPRGKRZSA-N 381.396 0.854 0 40 GCAB O=C(N[C@H]1CN(C(=O)Cc2ccc(F)cn2)[C@H]2CCCO[C@@H]12)c1cnccn1 1565549739 AYEAAJAPTDBKNV-BQFCYCMXSA-N 385.399 0.742 0 40 GCAB CCn1c(=O)c2c(nc(SCC(=O)NCc3ccccc3)n2C)n(C)c1=O 887164 TXSPTAOFEDJIKP-UHFFFAOYSA-N 387.465 0.862 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NC[C@H]3CCCO3)CC2=O)cc1 5322794 ZVLMXTDFRSMHLB-JJRVBVJISA-N 389.452 0.848 0 40 GCAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 16839393 MBJHNCWOTFZWHQ-JTQLQIEISA-N 393.831 0.569 0 40 GCAB COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(C(=O)COC)CC1 19743526 PEAGEBYVNBTUJV-UHFFFAOYSA-N 389.456 0.653 0 40 GCAB COCCN(C)CCCNC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 58014291 GWIJXNKHTACYMY-KRWDZBQOSA-N 378.452 0.989 0 40 GCAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cn1cncn1)c1ccccc1 58412503 QHVGNVJAIXHOPM-HOTGVXAUSA-N 393.469 0.881 0 40 GCAB O=S(=O)(c1ccccc1Br)N1CCN(C[C@@H](O)CO)CC1 84507251 WNADMXCSWMNOMJ-LLVKDONJSA-N 379.276 0.109 0 40 GCAB CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)C1 89661838 IBHKHXZWNOUIEP-KPZWWZAWSA-N 380.445 0.738 0 40 GCAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1 97012843 SHHLSQAXPVSURX-INIZCTEOSA-N 399.494 0.976 0 40 GCAB C[C@H](C(=O)N1CCOCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 105695933 OGQYQJOLRJXKLZ-VLIAUNLRSA-N 386.452 0.798 0 40 GCAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CC(=O)N2CCCC[C@H]12 556761439 ZSTAHEQTLIEGPR-JKSUJKDBSA-N 380.489 0.320 0 40 GCAB COc1cccc2c1OC[C@H](NC(=O)Cc1cc(S(N)(=O)=O)cn1C)C2 585085508 SEAAMEQVSRTXDN-GFCCVEGCSA-N 379.438 0.344 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1C(N)=O 1565523088 YKXGQYQWXUYSEY-CYBMUJFWSA-N 399.538 0.996 0 40 GCAB O=C(C1CC1)N1CCCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1654988888 JMEGXFRJVARKBE-CYBMUJFWSA-N 378.516 0.085 0 40 GCAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(=O)n(C)c(O)n4)CC3)nc(C)n2)n1 1889141265 ILYIXLFXRQVPJA-UHFFFAOYSA-N 396.455 0.713 0 40 GCAB CS(=O)(=O)CC(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738921 AFDYZJKZJYYLCY-SNVBAGLBSA-N 381.410 0.216 0 40 GCAB Cc1c(NC(=O)CCC(=O)N(CCO)CCO)c(=O)n(-c2ccccc2)n1C 2255724 KWYUFHRLGQBLSP-UHFFFAOYSA-N 390.440 0.016 0 40 GCAB Cc1csc(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5798173 PXQCAGMCYBIPEC-UHFFFAOYSA-N 399.469 0.890 0 40 GCAB NC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccco2)sc2c1CCC2 6084030 XHGKDUYPRDUTBM-UHFFFAOYSA-N 391.405 0.840 0 40 GCAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NC1CC1 9184279 IRTZBOLNGQAVSV-CQSZACIVSA-N 379.482 0.872 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCCCO3)c(=O)n2C 9378378 RRMDPBQFKQKMTG-UHFFFAOYSA-N 385.380 0.234 0 40 GCAB Cn1c(=O)c2c(NC(=O)c3cc(=O)c4ccccc4o3)ccnc2n(C)c1=O 13011041 GDTXHEYKMFRSQG-UHFFFAOYSA-N 378.344 0.991 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(Cl)cc1 20637054 NYJINFLWUYXNNF-HUUCEWRRSA-N 392.843 0.820 0 40 GCAB COc1cccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)c1 32682509 DRJIGGNELVDPAT-UHFFFAOYSA-N 387.440 0.767 0 40 GCAB CCc1nnc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 95999078 VGYSUKKJPFMSLB-NSHDSACASA-N 389.503 0.759 0 40 GCAB COc1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 224383041 DHEKMGMJVFQITP-AWEZNQCLSA-N 385.486 0.709 0 40 GCAB C[C@H]1CN(Cc2nnc(CN3C[C@@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@H](C)N1 225151989 OZNHHHZMMXHYPW-BALXVJCKSA-N 386.548 0.755 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3cnccn3)C2)cc1 225478499 DPOQYESTHIXODQ-AWEZNQCLSA-N 392.437 0.573 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NCCn1nnc2ccccc2c1=O 238951180 WYPYUWDLDJLVPG-UHFFFAOYSA-N 394.434 0.618 0 40 GCAB CN(C)c1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)CN(C)S2(=O)=O 306132370 LGUTZTBJRNNAKF-UHFFFAOYSA-N 379.486 0.447 0 40 GCAB COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)cc2[nH]ccc12 517779466 ZYMZGIIJIXQHSX-JQWIXIFHSA-N 375.381 0.501 0 40 GCAB O=C(Cn1c(O)nc2ccccc2c1=O)NCCn1cnc2ccccc2c1=O 524732572 BLEUDZACUZHAJX-UHFFFAOYSA-N 391.387 0.628 0 40 GCAB Cn1cc(N2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)c(=O)n(C)c1=O 1889186296 KYTLCWCCCBONOY-UHFFFAOYSA-N 395.463 0.893 0 40 GCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)Cc3noc4ccccc34)C[C@H]12 2055717973 PWGZUOCMWRFLSM-RVSPLBMKSA-N 393.465 0.783 0 40 GCAB CCN=c1cc(C)nc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)[nH]1 2086889232 UAPOGOFMACCXKD-HZPDHXFCSA-N 376.505 0.397 0 40 GCAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(C(=O)c2ccco2)CC1 3505508 YWWAXLUQJYGEBE-UHFFFAOYSA-N 388.424 0.819 0 40 GCAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1=O 3534914 REPNBTQGFVRDLZ-SECBINFHSA-N 385.471 0.748 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCN1C(=O)c2ccccc2C1=O 4407114 KFGMUIFEGLEQKK-UHFFFAOYSA-N 379.328 0.487 0 40 GCAB C[C@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(N)=O 6435361 QNFCWQOFYJSCTM-ZETCQYMHSA-N 379.232 0.730 0 40 GCAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)N[C@H]1CCS(=O)(=O)C1 8992432 ZMGYTCKBRUIHDH-ZETCQYMHSA-N 375.863 0.792 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(OC(F)F)c1 11700812 YAIDDINZJNBQNB-SECBINFHSA-N 387.339 0.795 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021898 UFCUFNYWCRERRM-MDFYPZETSA-N 388.399 0.220 0 40 GCAB Nc1ncnc2c1c(I)cn2[C@@H]1C[C@H](O)[C@H](CO)O1 33805000 LIIIRHQRQZIIRT-FXQIFTODSA-N 376.154 0.259 0 40 GCAB CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@H]1c1cccs1 54361217 MIIFIGXRBMAEGF-MSKHEQNASA-N 392.458 0.985 0 40 GCAB Cn1nc(N2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)ccc1=O 90592512 SNOOPGGJECMUNE-UHFFFAOYSA-N 380.412 0.611 0 40 GCAB CC(C)(C)OC(=O)NCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 96115898 VDLLOJWMUCVVLQ-ZDUSSCGKSA-N 376.413 0.768 0 40 GCAB biogenic COC(=O)[C@H]1C2[C@@H]3[C@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C3(OC(C)=O)C41COC(C)=O 104283486 AAIDZJWLJGLDMD-YPRYYPKHSA-N 378.377 0.181 0 40 GCAB S=C(NCCN1CCOCC1)Nc1nc(Cl)cc(N2CCOCC2)n1 225905851 CDMAKUIGBNBCIM-UHFFFAOYSA-N 386.909 0.585 0 40 GCAB CN1c2ccc(F)cc2N(CCNC(=O)c2cccn(C)c2=O)S1(=O)=O 575613857 WZRODKYCHWJMGW-UHFFFAOYSA-N 380.401 0.455 0 40 GCAB COCC(=O)N1C[C@H](CC(C)C)NCCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1 643913268 OFCDQBBGKIMLDF-DODZYUBVSA-N 390.521 0.013 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888876287 INBHFABRXNZLSG-IYBDPMFKSA-N 394.479 0.734 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccn(C)n5)C[C@H]4C3)ncnc21 1888913848 XASSCMIXJMNVIW-OKILXGFUSA-N 396.455 0.415 0 40 GCAB O=C(O)c1ccc(NC(=O)[C@@H]2C(=O)C(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 1573048 DEEHAUJTGQGDTL-ZDUSSCGKSA-N 396.311 0.780 0 40 GCAB CC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1 3257326 WESPLLCLZBVARU-HXUWFJFHSA-N 384.436 0.461 0 40 GCAB CCCCCCSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O 3874924 HXJDWCWJDCOHDG-NWDGAFQWSA-N 391.490 0.178 0 40 GCAB in-vivo,metabolite CCOC(=O)[C@@](NC(=O)COc1ccccc1)(Nn1cnnc1)C(F)(F)F 4207750 PYCDDIWOFSINJT-CQSZACIVSA-N 387.318 0.839 0 40 GCAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCC(OC)OC)[C@H]4C2=O)cc1 9135009 OFHUHVDPVRUHFV-DFYYWFRZSA-N 388.420 0.717 0 40 GCAB CC(=O)Nc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1 9827643 FPEHFGVLNCLUBN-UHFFFAOYSA-N 377.426 0.550 0 40 GCAB NC(=O)[C@H]1CN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c2ccccc2O1 10450998 ZKKXHIVTFFTBCE-OAHLLOKOSA-N 382.355 0.759 0 40 GCAB Cn1c(CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc(=O)n(C)c1=O 10536848 BMIFMEYSBAHYHA-QGZVFWFLSA-N 376.800 0.705 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 12131417 JDKVDNFYOFYKKM-JKSUJKDBSA-N 395.460 0.764 0 40 GCAB COC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 15370934 RKGIOLBCEQVKNX-UHFFFAOYSA-N 384.454 0.727 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20566559 GHFGMGHRBJKKNY-OUFKLWKOSA-N 388.399 0.222 0 40 GCAB COC(=O)CN1C(C)=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc21 20674211 QRJKWNRDGAWRKT-GOSISDBHSA-N 397.435 0.993 0 40 GCAB Cn1c([C@@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)NC2CCCCC2)c1=O 23141249 QRVPAAMZTJFARM-CYBMUJFWSA-N 399.517 0.170 0 40 GCAB COc1ccc(N2C(=O)C(=O)N(CN3CCN(c4cnccn4)CC3)C2=O)cc1 26664417 ATQYFLGXXMBHDN-UHFFFAOYSA-N 396.407 0.560 0 40 GCAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 40086600 MOFLENDXMNPXCD-MNOVXSKESA-N 383.495 0.996 0 40 GCAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 51137839 KPHGFFFWWYDPDA-AWEZNQCLSA-N 375.406 0.392 0 40 GCAB COCCNC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O 57503801 BJAYJQQBBHWMBR-UHFFFAOYSA-N 394.391 0.976 0 40 GCAB Cc1nn(C)c2ncc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc12 60356911 HYNZFPUTOCZYPL-UHFFFAOYSA-N 395.466 0.403 0 40 GCAB COCC(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@@H](C)C3)ncc1CS2(=O)=O 96252019 RNTJVWJJHXNCCP-VHDGCEQUSA-N 394.497 0.582 0 40 GCAB Cc1cccc(S(=O)(=O)N2CCCn3cnc(CNS(C)(=O)=O)c3C2)c1 96259436 ZELARFGNDSTIKA-UHFFFAOYSA-N 398.510 0.835 0 40 GCAB C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 105353180 IRPYICWEKOXUOT-PTIKFLCOSA-N 375.400 0.725 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1C(C)=O 257292707 QMQBDCKKLDDTFP-INIZCTEOSA-N 395.481 0.046 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2nccnc2-c2ccncc2)CC1 618256584 KEKUXWYZNOYZCK-UHFFFAOYSA-N 375.454 0.826 0 40 GCAB COC1(c2cnnn2C)CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 1528828606 XFOTWOMXMGWSRW-UHFFFAOYSA-N 384.484 0.560 0 40 GCAB CN(CCN(C)C(=O)c1cc2ncccn2n1)C(=O)Cn1nnc2c1CCCC2 1615612465 YTZCVOWLOKGEHL-UHFFFAOYSA-N 396.455 0.430 0 40 GCAB Cc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(N2CCOCC2)n1 1889175261 XNKRBGBPXSGQFI-UHFFFAOYSA-N 395.471 0.625 0 40 GCAB CC1(C)Cc2c(sc3ncn4nc(CN(CCO)CCO)nc4c23)CO1 2236402 GFJZBFJEPYTIQE-UHFFFAOYSA-N 377.470 0.977 0 40 GCAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 4240195 JLNKMDVXAYFYLG-ZDUSSCGKSA-N 392.485 0.978 0 40 GCAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 4944001 WRFAFJCJDISUBV-UHFFFAOYSA-N 386.470 0.547 0 40 GCAB CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)OC)=NN(CCC(C)=O)[C@@H]3C2=O)cc1 5023023 JMFXDEJXYIDWBH-ZBFHGGJFSA-N 387.392 0.767 0 40 GCAB CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)CC(=O)NC(C)(C)C 7659894 FKKXULNWXNLELA-LJQANCHMSA-N 389.456 0.331 0 40 GCAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 9632329 WNFAVUVVXCXNFJ-NSHDSACASA-N 397.482 0.375 0 40 GCAB COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 10386301 INWGWUGEJDUKCY-UHFFFAOYSA-N 392.412 0.886 0 40 GCAB Cn1c(COC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc(=O)n(C)c1=O 11396577 MDAYOLCGXKQNRT-OAHLLOKOSA-N 384.392 0.362 0 40 GCAB CS(=O)(=O)c1cncnc1[C@H]1CCCN(CC(=O)NCc2ccco2)C1 12154668 YRIHPWBVMAQFLJ-ZDUSSCGKSA-N 378.454 0.969 0 40 GCAB COC(=O)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 24482191 IFXXXMJTTVNZJR-NSHDSACASA-N 377.440 0.046 0 40 GCAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NC(=O)NCC(F)(F)F 54614416 PEZBMXNLCHLAMS-UHFFFAOYSA-N 398.389 0.840 0 40 GCAB COCCn1nnnc1CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1 57721279 RVLHPPOYIPUBOV-UHFFFAOYSA-N 388.476 0.358 0 40 GCAB O=C(CNC(=O)c1n[nH]c2ccccc12)Nc1cccc2c(=O)[nH]nc(O)c12 58197745 DDTHTYFZBXBTRU-UHFFFAOYSA-N 378.348 0.874 0 40 GCAB Cc1ccc(OCC(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cc1 248036095 SIPVXIBOJFIJHN-OAHLLOKOSA-N 378.454 0.703 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ncoc3C)CC2)CC1 257260867 LEULQATWSGTEFA-IBGZPJMESA-N 378.473 0.941 0 40 GCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1 514290323 XHNIFLRUFIHCSD-RBUKOAKNSA-N 379.464 0.622 0 40 GCAB biogenic,in-vitro NS(=O)(=O)c1cnn(CC(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)c1 618764979 LECBNNCKIAPONC-CQSZACIVSA-N 386.380 0.409 0 40 GCAB O=C(COc1ccc(I)cc1)N[C@H]1CCS(=O)(=O)C1 7034714 XZHRXDPZKCEHOB-JTQLQIEISA-N 395.218 0.973 0 40 GCAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CC(=O)NC(C)C)C1=O 7796652 YVHFXQOETOZJNK-IBGZPJMESA-N 389.456 0.331 0 40 GCAB C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9306742 KZAADEPGYHAKFW-QWRGUYRKSA-N 384.483 0.589 0 40 GCAB CCOC(=O)Cc1csc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 9530721 XQWMIRBEKSIOLB-UHFFFAOYSA-N 388.405 0.891 0 40 GCAB CCC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(C)(=O)=O)CC2)C1=O 12914879 YAMXFVXHDDTCKJ-GOSISDBHSA-N 394.497 0.769 0 40 GCAB O=C(CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21)Nc1ccc(N2CCCC2)c(F)c1 19293102 UTFOIQZCOLWHKE-HUUCEWRRSA-N 376.392 0.745 0 40 GCAB O=C1NC[C@@]2(CCCN(C(=O)CN3CSCC3=O)C2)Oc2ccccc21 19374760 PONJCJCEYITSFZ-GOSISDBHSA-N 375.450 0.703 0 40 GCAB CC(C)C[C@H](CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)N1CCOCC1 26064420 XQLYASUZSQILHZ-OAHLLOKOSA-N 382.505 0.960 0 40 GCAB O=C(CN1CCN(Cc2nccn2Cc2ccccc2)CC1)N1CCOCC1 32804013 KATGSWWBOSLNHW-UHFFFAOYSA-N 383.496 0.908 0 40 GCAB COC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 40161095 BOJPAIPAVWDWBV-LLVKDONJSA-N 386.426 0.007 0 40 GCAB CNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 83927639 YLEPLWBPQKBLGF-ZURPAGLHSA-N 378.469 0.842 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@]21CCN(C)C1=O 96036385 JFCGFGFYWATGLK-SFHVURJKSA-N 393.513 0.577 0 40 GCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CCO2)cn1 97012573 HVBMJCLGOZLXAP-MRXNPFEDSA-N 391.453 0.373 0 40 GCAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1 97012846 SHHLSQAXPVSURX-MRXNPFEDSA-N 399.494 0.976 0 40 GCAB O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cccn3)ncn2)C1 244942659 CTSUQQCFZRPGIN-UHFFFAOYSA-N 381.425 0.519 0 40 GCAB CN(C)C(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)N1C 257226341 FKHBWZRXIIVHTN-KGLIPLIRSA-N 394.497 0.401 0 40 GCAB CCc1oncc1C(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306134400 NMCKOGGCRCTUOX-LBPRGKRZSA-N 392.437 0.735 0 40 GCAB O=C(N1CCNCC1)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 530227915 JGBWTKRYIDRFJI-UHFFFAOYSA-N 390.875 0.491 0 40 GCAB CCOC(=O)[C@@H](C)NC(=O)NC1CCN(c2nccn3c(C)nnc23)CC1 575414918 QKWQKGPKDUMBLJ-LLVKDONJSA-N 375.433 0.652 0 40 GCAB Cc1noc(CC(=O)N2C[C@@H]3C[C@@H](CC(=O)NCc4cccnc4)O[C@@H]3C2)n1 585109520 VQLSJBPHFSJPRP-HRCADAONSA-N 385.424 0.638 0 40 GCAB O=C(c1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242936 DCOALVTZVNKNHD-INIZCTEOSA-N 382.457 0.930 0 40 GCAB O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1 8253945 IBQJQVFJCZATNU-BBWFWOEESA-N 382.468 0.909 0 40 GCAB biogenic,in-vitro O=C(Cn1cnc2cc(F)ccc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8329081 DNRBGJPDBDFCSL-CYBMUJFWSA-N 379.413 0.714 0 40 GCAB COC(=O)c1cc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc(C(=O)OC)c1 16960671 VVIYZNWYCVSUEB-CYBMUJFWSA-N 384.410 0.622 0 40 GCAB CCOC(=O)c1cc(NC(=O)C[C@@H]2NCCNC2=O)cc(C(=O)OCC)c1 17077171 DOEZDWNHDWDHAM-AWEZNQCLSA-N 377.397 0.457 0 40 GCAB CCn1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1 19715568 GTTKHSBAWQYKRF-UHFFFAOYSA-N 384.506 0.108 0 40 GCAB CCN1CCCc2cc(CCNC(=O)C(=O)NCCN3CCOCC3)ccc21 22732689 NWMZKARQYQDGJP-UHFFFAOYSA-N 388.512 0.566 0 40 GCAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)n1cncn1 29758456 KUSCLNRCHWAIOG-NSHDSACASA-N 385.396 0.650 0 40 GCAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(C=O)CC1)cn2CC(=O)O 36365754 FOJQTDAWKWJSFZ-KRWDZBQOSA-N 375.381 0.634 0 40 GCAB C[C@@H](CCc1ccco1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 47742249 PSBCFQKQLMMGAD-STQMWFEESA-N 381.454 0.882 0 40 GCAB COc1cccc(CC(=O)N[C@@H]2C[C@H](Cn3cc(C4CC4)nn3)[C@@H](O)[C@H]2O)c1 225498142 PUAOSYCALDMNTH-FCNFAXOHSA-N 386.452 0.633 0 40 GCAB biogenic,in-vitro COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 408608614 RPEFBZLNNXJFDS-UHFFFAOYSA-N 379.438 0.702 0 40 GCAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(c1=O)CCN(S(C)(=O)=O)C2 583623895 CIOPAUQPFRVRCX-JSGCOSHPSA-N 382.486 0.256 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccccc1O[C@H]1CCOC1 626437163 VFAQWVPKSOTETI-KGLIPLIRSA-N 399.469 0.636 0 40 GCAB COCCn1cnc2c(N3CCN(c4ccc5nnc(C)n5n4)CC3)ncnc21 1888926503 VLUJRFLHHVZZBK-UHFFFAOYSA-N 394.443 0.545 0 40 GCAB CCOC(=O)[C@@](NC(C)=O)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F 1650022 GKZSWWHNNZBILW-GFCCVEGCSA-N 383.348 0.704 0 40 GCAB CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O 3874447 VVHDYJFDZYHAMR-MMMWYMCRSA-N 398.423 0.194 0 40 GCAB in-vitro Cn1c(=O)c2c(-c3ccccc3Br)n(CC(N)=O)cc2n(C)c1=O 4770478 ANLQXOCXRAXFBE-UHFFFAOYSA-N 391.225 0.954 0 40 GCAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2=COCCO2)c(=O)[nH]c1=O 8774657 FIZXUNGXCICMMO-UHFFFAOYSA-N 390.396 0.933 0 40 GCAB CC(C)(C)n1nnnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 8778254 PCRBDFVLAFUHKU-UHFFFAOYSA-N 381.462 0.806 0 40 GCAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(O)CC1 10053427 RZMSDKRPWGTZFE-HNNXBMFYSA-N 381.498 0.365 0 40 GCAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)n12 12181919 CYRCMAKXOHIFLD-UHFFFAOYSA-N 396.451 0.892 0 40 GCAB COCCNC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12327227 XLSPOBGVCLNKQA-UHFFFAOYSA-N 398.467 0.552 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC(N)=O)c3ccc(F)cc3)ccc21 27914472 FVTXWELUMMNLCY-UHFFFAOYSA-N 392.412 0.697 0 40 GCAB Cc1sc2nc(CS[C@@H](C)C(=O)NN3CC(=O)NC3=O)[nH]c(=O)c2c1C 39978559 MSRMXSPMCFVEDY-QMMMGPOBSA-N 395.466 0.806 0 40 GCAB O=C(CCN1CCN(c2ccccn2)CC1)NCCCCN1CCOCC1 72294502 IQYZFSMSUWAXRY-UHFFFAOYSA-N 375.517 0.822 0 40 GCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1nc2c(s1)CCC2 72406307 QBAGOPZAYRSIIW-UHFFFAOYSA-N 387.469 0.892 0 40 GCAB CN1CC[C@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O 96036382 UTIYKGAULLGAES-KRWDZBQOSA-N 379.486 0.187 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)CNC(=O)OCc2ccccc2)C1 225678939 YTHJTENKWSHFIX-UHFFFAOYSA-N 392.437 0.331 0 40 GCAB CC(C)c1nc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cn1C 575606671 KJJPLWHHYCENJR-UHFFFAOYSA-N 382.494 0.339 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CCc4cnn(C(C)C)c4C3)C[C@@H]12 664739776 NOHXYUVPCNMYLZ-WTTBNOFXSA-N 396.513 0.775 0 40 GCAB C[C@@H]1O[C@H](OC(=O)C2=C[C@]3(O)CC(C)(C)C[C@@]34[C@@H]2CC[C@H]4C)[C@H](O)[C@@H](O)[C@@H]1O 1772591803 QEZOAVXNNSLPOZ-PJWUOLPUSA-N 396.480 0.881 0 40 GCAB O=C(CC1CCOCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332242985 AVLXTLBDXQQOON-HNNXBMFYSA-N 383.470 0.094 0 40 GCAB NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 3318818 YJVDZMLKTLBXIP-UHFFFAOYSA-N 397.236 0.656 0 40 GCAB O=C(N[C@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]12)c1cccs1 3839642 UWHIWVHXIXSALC-HOSILWTGSA-N 389.477 0.857 0 40 GCAB biogenic,in-vitro COc1ccc(N2CCn3c2nn(CC(=O)N2CCCCCC2)c(=O)c3=O)cc1 8849098 KSZZUXPKAZQLMD-UHFFFAOYSA-N 399.451 0.968 0 40 GCAB CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)CC1 9060272 PAWQIQPCAUWCJJ-UHFFFAOYSA-N 387.444 0.870 0 40 GCAB Cc1c(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc(O)ccc12 13624644 GXIXUONVCDBJJS-KGLIPLIRSA-N 381.406 0.014 0 40 GCAB COc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 16222950 DIJJRSGPHHKREF-NSHDSACASA-N 397.482 0.409 0 40 GCAB CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 19499774 BGCRWMUPQJQBLW-VXGBXAGGSA-N 382.486 0.450 0 40 GCAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 20623197 OJIWRHOLYNMNEV-KRWDZBQOSA-N 388.468 0.437 0 40 GCAB C[C@H]1CN(C(C)(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 21064104 LCPGFAXRPSZIOA-STQMWFEESA-N 376.461 0.134 0 40 GCAB O=C1CCC(=O)N1CCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 26923877 IVGUUKDCMGFSHH-UHFFFAOYSA-N 387.408 0.420 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)CNC(=O)CCC(C)C)CC2)no1 60375549 GEDJRICYOQZZCW-UHFFFAOYSA-N 379.461 0.618 0 40 GCAB COCCCNC(=O)CN(C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 78953946 OLNLFPITVMTYQQ-CYBMUJFWSA-N 383.470 0.725 0 40 GCAB CC(=O)c1ccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 96936883 CXAMGUZKTNKWTQ-UHFFFAOYSA-N 388.468 0.304 0 40 GCAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102330695 RHORPQSFVXSMJQ-FQUUOJAGSA-N 388.380 0.876 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)C(C)C)C[C@@H]4C3)ncnc21 1888890690 CYMHKQXPFUMGNY-KBPBESRZSA-N 394.501 0.579 0 40 GCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCn1nnc2ccccc2c1=O 3286627 AGGCFJOBBMVMOR-STQMWFEESA-N 382.376 0.634 0 40 GCAB COC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 4889221 CXZYHNBMQZRGSN-BDAKNGLRSA-N 399.144 0.281 0 40 GCAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 5957534 BNHLBJXRGOUOCN-JSGCOSHPSA-N 393.440 0.828 0 40 GCAB CNC(=O)[C@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 7504402 JBJFGJNWFVYFCA-NSHDSACASA-N 379.438 0.525 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 8476070 BZZVFFXIWDBIIL-UHFFFAOYSA-N 385.442 0.518 0 40 GCAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccccc1C(=O)NC1CC1 10802110 ZNEGQFLZYXXUKZ-UHFFFAOYSA-N 378.392 0.960 0 40 GCAB C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cc1ccc2c(c1)OCO2 12145878 BXMYYIJHSYIYNB-ZDUSSCGKSA-N 381.392 0.905 0 40 GCAB Cn1ncc2c(N3CCN(CN4C(=O)C(=O)c5ccccc54)CC3)ncnc21 12880520 LYCZOSVFVNYFRG-UHFFFAOYSA-N 377.408 0.672 0 40 GCAB COc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13532642 JRLGENZEWIFWQH-UHFFFAOYSA-N 383.412 0.495 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(=O)N2CCCC2)cc1 14182752 BMBPVKZYCNTUIC-CYBMUJFWSA-N 395.481 0.685 0 40 GCAB Cc1ccc(NC(=O)COC(=O)CN(C)c2ncccn2)cc1S(N)(=O)=O 23174031 LNUPLUJXWFCQJF-UHFFFAOYSA-N 393.425 0.051 0 40 GCAB NC(=O)NC(=O)CCSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 25166638 KIRFHCSIMFEBQW-UHFFFAOYSA-N 390.425 0.369 0 40 GCAB O=C(c1cn(-c2ccccc2)nn1)N1CCN(c2ncnc3[nH]cnc23)CC1 72144415 PRWDILCIYOUTIG-UHFFFAOYSA-N 375.396 0.896 0 40 GCAB CCOC(=O)N1C[C@H]2[C@@H]3CN(C(=O)OCC)[C@@H]4C[C@@]3(C(=O)O)[C@@H]1C[C@]24C(=O)O 104071763 LTPAGGAWNDKANQ-LCMGHJEOSA-N 396.396 0.850 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 408586908 AAHWUQIBYWSHLL-UHFFFAOYSA-N 399.513 0.591 0 40 GCAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653762 FRHDVIGBUDBSBW-YDOWWZDFSA-N 384.388 0.984 0 40 GCAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21)c1cccnc1 575406229 WEDBMJBEALTOAP-FRFSOERESA-N 381.436 0.810 0 40 GCAB CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4ncc[nH]4)CC3)cc21 635859324 QNJXVUOXIADKQR-UHFFFAOYSA-N 383.456 0.989 0 40 GCAB CCCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 3027757 HAVGGMOTURFYRU-LBPRGKRZSA-N 389.499 0.518 0 40 GCAB Cc1cnc2c(c1SCC(=O)N1C[C@H](C)O[C@@H](C)C1)c(=O)n(C)c(=O)n2C 4942053 LDNZIKMGEPCHFB-RYUDHWBXSA-N 392.481 0.669 0 40 GCAB CO[C@@H]1O[C@H]([C@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5047999 SNCROMAUUJJJEB-OGJIRTNDSA-N 376.358 0.104 0 40 GCAB COc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 7375738 WTJLNZWOKHXWOU-UHFFFAOYSA-N 386.451 0.830 0 40 GCAB C[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9306741 KZAADEPGYHAKFW-WDEREUQCSA-N 384.483 0.589 0 40 GCAB CC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 12390679 RVPIEDOSTKMEMQ-UHFFFAOYSA-N 381.454 0.712 0 40 GCAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1nc(N)nc(N(C)C)n1 12932320 BPHTZOADJXMMNK-INIZCTEOSA-N 386.456 0.947 0 40 GCAB COc1ccc(CCNC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13534760 XFFSZIBHNBMADC-UHFFFAOYSA-N 396.455 0.841 0 40 GCAB C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)NC(=O)NC1CCCC1 18389240 LFJCLXXFXIAWMQ-QMMMGPOBSA-N 389.455 0.709 0 40 GCAB Cn1c(=O)c2cc(C(=O)NCc3ccc4c(c3)OCCO4)cnc2n(C)c1=O 22757148 ISJFJJTVHDBQKP-UHFFFAOYSA-N 382.376 0.333 0 40 GCAB COc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1S(=O)(=O)N1CCCC1 32736020 MGUDBBRVPQKHEX-ZDUSSCGKSA-N 381.454 0.570 0 40 GCAB O=C(COC(=O)CCn1nc(-c2cccs2)oc1=O)NC[C@@H]1CCCO1 32824320 GSXNTELSJQIBBV-NSHDSACASA-N 381.410 0.793 0 40 GCAB C[C@@H](CN1CCCC1=O)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 40156881 XAWSZOHVVFDEAN-AWEZNQCLSA-N 396.513 0.940 0 40 GCAB COc1ccccc1C(=O)N[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)C(C)C 57008167 SNRXWTYOEDIQSB-MRXNPFEDSA-N 391.468 0.848 0 40 GCAB O=c1cc(CO)oc(CN2CCN(c3ncc(Br)cn3)CC2)c1O 61722128 DOWXSVNFRFMHPW-UHFFFAOYSA-N 397.229 0.712 0 40 GCAB Cn1nc(C(=O)NCCn2nnn(-c3cccs3)c2=O)c2ccccc2c1=O 72341065 YKCAFEISBLVCMR-UHFFFAOYSA-N 397.420 0.167 0 40 GCAB CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 96145829 PQHWXCIYDFLINZ-GJZGRUSLSA-N 395.481 0.537 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCCc3cnc4ncnn4c3)cc21 225646620 ITIVXVHKUACZIB-UHFFFAOYSA-N 388.409 0.480 0 40 GCAB Cc1noc(C)c1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 238825492 DQLNKELSPPUPGL-UHFFFAOYSA-N 381.458 0.870 0 40 GCAB COc1cc(=O)n(C)cc1C(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 238876079 OBPQWWAPISRPED-AWEZNQCLSA-N 385.376 0.844 0 40 GCAB CC1(C)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC[S@@]1=O 566053744 UHSBSVLBYPYLLF-DEOSSOPVSA-N 387.527 0.908 0 40 GCAB O=C(N[C@H]1CCC[C@H]1C(=O)O)C1CCN(S(=O)(=O)c2cccnc2)CC1 630314454 SDSGUAONKPLLLI-CABCVRRESA-N 381.454 0.852 0 40 GCAB O=C(O)CN1CCCC[C@@H](N2CCN(Cc3cn4ccccc4n3)CC2)C1=O 643873838 IAZNIMNAANOJGM-QGZVFWFLSA-N 385.468 0.918 0 40 GCAB NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1 685868320 XESHFYGXDCOUTB-ZDUSSCGKSA-N 380.397 0.972 0 40 GCAB O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)[C@H]1COc2ccccc2O1 1351422 PUSUKYPNGXIDPO-CYBMUJFWSA-N 390.421 0.718 0 40 GCAB Cc1cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)c2c(C)c(C)c(=O)oc2c1 2097997 INISDAFCPAHIRD-LBPRGKRZSA-N 390.392 0.803 0 40 GCAB biogenic CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(F)cc2)c(=O)n(C)c1=O 2622106 GOAVWQYZTVDZMN-UHFFFAOYSA-N 377.372 0.964 0 40 GCAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 5755073 ABFLCXXJEITOGZ-STQMWFEESA-N 394.424 0.613 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC(C(=O)OCC)CC1)n2C 6997933 CLWPJMGHIVQCFG-UHFFFAOYSA-N 391.472 0.999 0 40 GCAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 7307220 LVFYLSBTZVEIAH-MRXNPFEDSA-N 376.390 0.899 0 40 GCAB CN(C(=O)CNC(=O)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 8938806 WWCXKRUWVKRNRE-JTQLQIEISA-N 389.271 0.824 0 40 GCAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)N[C@@H]1CCS(=O)(=O)C1 8992431 ZMGYTCKBRUIHDH-SSDOTTSWSA-N 375.863 0.792 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccc(S(C)(=O)=O)cc2)NC(=O)NC1 12985934 ADZFVLJIPYJQDV-UHFFFAOYSA-N 382.394 0.377 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(Cl)c1 13640102 DHVRIOIHHNCQHE-HUUCEWRRSA-N 392.843 0.820 0 40 GCAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1=O 15842742 CFQNNPUGSOZSMI-LLVKDONJSA-N 379.438 0.337 0 40 GCAB O=C(NCCCn1ccnc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22525327 GINONBLMVWSREZ-UHFFFAOYSA-N 392.481 0.865 0 40 GCAB COc1ccccc1NC(=O)[C@@H](C)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 32739781 WWFSCFJWNGYNIL-HUUCEWRRSA-N 381.498 0.827 0 40 GCAB CCOC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1 32824380 UBUOEXPXQIULMN-UHFFFAOYSA-N 375.472 0.636 0 40 GCAB CC1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)[C@@H]3CCCO3)CC1)C2=O 33034010 JVKZRTBSRDLMMP-HVEKOLDVSA-N 378.473 0.768 0 40 GCAB COc1ccc(NC(=O)C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)cn1 95455035 XPLZKNWXWWWIIU-CQSZACIVSA-N 377.422 0.931 0 40 GCAB COc1cc(N2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)ncn1 247867306 BHKRTNDUZBLNGJ-ZDUSSCGKSA-N 376.438 0.953 0 40 GCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 248072508 BDBXNLCWFMWVQL-DLBZAZTESA-N 395.525 0.457 0 40 GCAB CN1CC(=O)N(c2cccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)c2)C1=O 515244442 GQVGYQGCKQUKQJ-IBGZPJMESA-N 399.407 0.744 0 40 GCAB CCc1c(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)[nH]c(C)c1C(N)=O 529751302 JDZWFNFXXWHAAV-IBGZPJMESA-N 378.473 0.330 0 40 GCAB COc1ccc(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)c(OC)c1 1565554962 MAYVKIODCLUSKE-HZPDHXFCSA-N 398.481 0.969 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(O)c5)C[C@@H]4C3)nn12 1888909561 WHBRHMXQHFHTEP-KBPBESRZSA-N 379.424 0.996 0 40 GCAB CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccn(C)n3)C2)c(C)n1 2809244 NYGFONFKNGDVNG-CYBMUJFWSA-N 380.474 0.984 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3309099 GOANSFXZNWCGIU-DOMZBBRYSA-N 382.438 0.845 0 40 GCAB COCCNC(=O)CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 4848298 KTCVBLHCGVCKDG-OAHLLOKOSA-N 392.456 0.571 0 40 GCAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 9054539 GOSSRJKOCGNKKD-SECBINFHSA-N 378.458 0.348 0 40 GCAB O=C(CCCN1C(=O)CNC1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14235297 HKCDBIPATOFGQT-UHFFFAOYSA-N 386.452 0.598 0 40 GCAB C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)C(N)=O 14245233 BOCRLCXDCMYHNI-JTQLQIEISA-N 398.466 0.723 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cccnc2Cl)CC1 14777934 WWNUYMTWAXBPME-UHFFFAOYSA-N 389.909 0.878 0 40 GCAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19340304 VPDCRULVHQKJAZ-KBPBESRZSA-N 388.449 0.583 0 40 GCAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19520438 OFDFHTSAPUSPNQ-OAHLLOKOSA-N 394.497 0.941 0 40 GCAB CCN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O 19937809 DNAYQSLUEMYNLC-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB NC(=O)C1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 20745137 XPCDYWIRHJHMCL-UHFFFAOYSA-N 379.218 0.762 0 40 GCAB CS(=O)(=O)Nc1cccc(CNC(=O)Cn2nc3ccccn3c2=O)c1 25239765 BBXHJZGXKISPMS-UHFFFAOYSA-N 375.410 0.184 0 40 GCAB Cn1c(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)nc2n(C)c1=O 40069600 MNJGGFYNLQNCCV-HNNXBMFYSA-N 397.435 0.792 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1 83882425 KLKHIPUNJWKTRL-CQSZACIVSA-N 391.453 0.128 0 40 GCAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 103136856 KWQAKLHQRDNCNM-OLZOCXBDSA-N 383.470 0.936 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cnco1 257229997 GAHKPACYZBTXIY-FPAYPSAMSA-N 387.436 0.811 0 40 GCAB Cc1noc(CC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 585101308 XDZGVUXQGZAWGS-LJQANCHMSA-N 398.423 0.769 0 40 GCAB COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@H](CO)C3)CC2)c1 585283367 NUDOBWYWRZKVAK-GOSISDBHSA-N 391.512 0.799 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1cccc(-n2ccnn2)c1 626448068 NARRRKMXHUAGEL-CQSZACIVSA-N 380.430 0.049 0 40 GCAB Cc1nn(C)c(C)c1[C@H](NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F 626476241 OHJXXHMYVFFPNY-WZRBSPASSA-N 387.366 0.859 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@H](c1ccccc1)C(F)F 626572679 SZXKRHAYCWNODB-QWHCGFSZSA-N 377.413 0.952 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3nc(O)n(C)c3c2)CCO1 653552982 SBRWPNABFFWIAF-ZDUSSCGKSA-N 390.396 0.053 0 40 GCAB CCN(Cc1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)C(C)=O 665533779 WLQFAXBVNKJOGU-HZPDHXFCSA-N 383.470 0.989 0 40 GCAB CC(C)n1nc(CNS(C)(=O)=O)c2c1CN(C(=O)CC1(O)CCC1)CC2 1565553865 FNEFQGFXODAKRF-UHFFFAOYSA-N 384.502 0.703 0 40 GCAB CCN1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C[C@@]12CCOC2 1615593242 ZLVBYOAOCKPEEJ-MRXNPFEDSA-N 387.889 0.924 0 40 GCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)c3cscn3)CC2)[nH]1 2055713262 PAECTWPQFWZFMZ-UHFFFAOYSA-N 385.453 0.765 0 40 GCAB COC(=O)C[C@@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC 6640079 AXQDYRNYPVQJIH-YNEHKIRRSA-N 393.465 0.247 0 40 GCAB biogenic CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 6756716 ZTNTUDHMXHBNCS-GFCCVEGCSA-N 389.437 0.595 0 40 GCAB CCOc1ccc(N2CCn3c2nn(CC(=O)N(CC)CC)c(=O)c3=O)cc1 8849487 WYFFHSFQKNKIBJ-UHFFFAOYSA-N 387.440 0.824 0 40 GCAB Cc1cc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)no1 13017032 TXHVHKZLFYTECN-UHFFFAOYSA-N 383.430 0.456 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(F)ccc3N3CCOCC3)cnc21 19662700 PVLOEJOTDZHODM-UHFFFAOYSA-N 386.387 0.744 0 40 GCAB O=C1CN(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c2ccccc2N1 22785969 YRPHCJLARARIRI-UHFFFAOYSA-N 385.468 0.212 0 40 GCAB COc1ccc(/C=C/C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 32926421 LAMXEXCJHPKQPI-DYLGSBMWSA-N 396.465 0.479 0 40 GCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 55248774 RZQCJZWVRRVYLB-HIFRSBDPSA-N 399.538 0.822 0 40 GCAB O=C(NCc1cccc2c1OCO2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 58357711 BERXHSBOCBPSSB-OAHLLOKOSA-N 375.425 0.212 0 40 GCAB COC(=O)CN(CCN1CCOCC1)CN1C(=O)NC2(CCC(C)CC2)C1=O 72301659 UTCWLNVBXSRGPX-UHFFFAOYSA-N 396.488 0.252 0 40 GCAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 95479984 COTPKNVSTQLMRI-TZMCWYRMSA-N 383.861 0.804 0 40 GCAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)[nH]1 97465017 RFABDJTULPVQKH-UHFFFAOYSA-N 379.413 0.969 0 40 GCAB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 101186923 KPEKLRNGYMRJSF-RISCZKNCSA-N 379.394 0.375 0 40 GCAB O=C(O)[C@H]1CC(c2ccc(Cl)cc2)=NN1/C=c1\sc2ncnn2c1=O 256028104 TXQYEWFAHOJVIZ-MDUDVEDUSA-N 375.797 0.825 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@H]12 409300652 XXAMBXULZUWPNR-BBYBEKIYSA-N 389.404 0.936 0 40 GCAB CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409393134 VNPIVODHWZEUQS-CYBMUJFWSA-N 385.486 0.535 0 40 GCAB Cc1ncc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 628170614 GIKZPWLKRCREGJ-UHFFFAOYSA-N 392.437 0.820 0 40 GCAB O=C(c1ncccn1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549161440 KZUQFDNEBBDPJF-CQSZACIVSA-N 385.424 0.524 0 40 GCAB O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1624448698 RXPXOPMCPGCESY-RHSMWYFYSA-N 397.435 0.998 0 40 GCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1 1626230780 VABMWTYIWWIWGH-UHFFFAOYSA-N 396.469 0.517 0 40 GCAB CC(=O)N1CCC(N2CCC[C@]3(CC2)Cc2c(n(C)c(=O)n(C)c2=O)O3)CC1 2037846426 RDEKNJDWLQQUCA-FQEVSTJZSA-N 390.484 0.255 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3ccnc(N4CCCC4)n3)CC2)C[C@H](C)O1 2086889122 CCROLJVXUNDUDV-IRXDYDNUSA-N 388.516 0.835 0 40 GCAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 5461074 ZURCZVYKBKHSOA-CQSZACIVSA-N 399.451 0.772 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 5706976 FHIFMGIEEFWNFK-WBMJQRKESA-N 379.413 0.645 0 40 GCAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCCNC(C)=O)nn1 8299100 DTXWRQAEWJXMGT-NXHRZFHOSA-N 376.505 0.583 0 40 GCAB biogenic,in-vitro O=C(Nc1nnc(C2CC2)s1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9490990 UHTZRQPGXQEVGJ-SECBINFHSA-N 383.455 0.520 0 40 GCAB Cn1c(COC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc(=O)n(C)c1=O 11396578 MDAYOLCGXKQNRT-HNNXBMFYSA-N 384.392 0.362 0 40 GCAB Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N3CCC(C)CC3)[C@H](O)[C@@H]2O)cc1 12603972 DVGCKKWAGUGJOI-KVPLUYHFSA-N 390.480 0.863 0 40 GCAB biogenic,in-vitro CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 13097745 HDQYHIHXIWFZSO-MRXNPFEDSA-N 394.497 0.979 0 40 GCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19402454 XKZYIVYZQNBVPK-SWLSCSKDSA-N 388.449 0.930 0 40 GCAB CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)CC)CC3)C1 19501127 ODERPRAWBSGBJP-LBPRGKRZSA-N 382.486 0.594 0 40 GCAB Cc1cccc2c(=O)n(CC(=O)N3CCCN(S(C)(=O)=O)CC3)cnc12 24779631 VLJDJHVBIGAXBK-UHFFFAOYSA-N 378.454 0.199 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 25204375 JXXZNPGVDPJXMQ-KRWDZBQOSA-N 397.497 0.809 0 40 GCAB CNC(=O)NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 47262012 FCOHNQUQJDTWJO-JTQLQIEISA-N 398.261 0.950 0 40 GCAB Cc1cccc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C 58229681 IKBVLQGOADPIHJ-DLBZAZTESA-N 381.498 0.017 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 61581114 DNEKSPJEQWBERV-UHFFFAOYSA-N 380.445 0.884 0 40 GCAB COc1ccc(NC(=O)CCN2CCN(CC(=O)N3CCCC3)CC2)cn1 72405724 XTZCAJSIUQGENQ-UHFFFAOYSA-N 375.473 0.659 0 40 GCAB O=S(=O)(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 96004977 RRAXWJVKLVAWJM-HNNXBMFYSA-N 389.499 0.470 0 40 GCAB Cn1cc(N2C[C@@]3(COCCN(C(=O)c4cccs4)C3)OCC2=O)cn1 96051441 VZZCRAQROIHGMR-KRWDZBQOSA-N 376.438 0.756 0 40 GCAB CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc2)CC1 225960371 HAFMLQJJEDNJEB-UHFFFAOYSA-N 383.470 0.958 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@H](CO)[C@@H](O)[C@H]1OC(C)=O 242425493 BLLDREJCXJOWEZ-UJMXGEILSA-N 389.404 0.733 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)c1 390830841 NTUPXQRQKZNNFT-UHFFFAOYSA-N 390.425 0.256 0 40 GCAB N[C@@H](CC(=O)O)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 585285373 OUPMGVCEVMOLAZ-QMYADUOMSA-N 375.425 0.019 0 40 GCAB O=C(CSc1nnnn1-c1ccccc1)NCCN1C(=O)CSC1=O 3372044 MQHDABOTEVNJGI-UHFFFAOYSA-N 378.439 0.566 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 3428427 WKXLDFTVJFQGLU-UHFFFAOYSA-N 385.423 0.242 0 40 GCAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(c2ncccn2)CC1 8429834 GYSBIAOYWATHKL-UHFFFAOYSA-N 393.444 0.633 0 40 GCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 12137199 NIZRZGBEEUPSAH-HNNXBMFYSA-N 392.408 0.581 0 40 GCAB in-vitro O=C(CCn1cncn1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267371 CDMYXCJGUMZAFV-QGZVFWFLSA-N 390.469 0.637 0 40 GCAB C[C@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 13540075 ZSROCPYNAWHFET-JTQLQIEISA-N 386.387 0.309 0 40 GCAB CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 17081549 LQNIQXCWUKHFPO-UHFFFAOYSA-N 398.510 0.907 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nc(C)cs1 18975493 PYLMQJSMTFXMFY-LLVKDONJSA-N 391.540 0.695 0 40 GCAB CN(C)c1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nn1 70738624 GNKQLDJNQNCNHN-UHFFFAOYSA-N 390.469 0.152 0 40 GCAB COc1ccccc1-c1cn2nnc(C(=O)N3CCC(C(N)=O)CC3)c2c(O)n1 77100795 WIERTJDAGOVPDX-UHFFFAOYSA-N 396.407 0.843 0 40 GCAB CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)NCCN(C)C)Cn1ccnc12 96263217 UFENRQNHECOVCN-HNNXBMFYSA-N 392.504 0.369 0 40 GCAB O=C(CN1CCOC1=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761833 ZPPYPKSCCFWJAX-UHFFFAOYSA-N 390.371 0.445 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 225805496 BMJSHYZHXKOCER-GFCCVEGCSA-N 398.444 0.921 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@@H]12 409300654 XXAMBXULZUWPNR-ROTFWVBOSA-N 389.404 0.936 0 40 GCAB O=C(CCc1cncnc1)N1CC[C@@H]2CN(S(=O)(=O)C3CC3)CCO[C@@H]2C1 1565548865 LEXQLIQUQXJBLR-NVXWUHKLSA-N 394.497 0.451 0 40 GCAB CC(C)CCn1c(N2CCCCCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C 825447 YVGHBVVCHJGWLJ-UHFFFAOYSA-N 390.488 0.809 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc21 2662888 KIDCCPHLFHLIGZ-UHFFFAOYSA-N 379.372 0.822 0 40 GCAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc(CCC(=O)O)c1=O 5256949 UAAZPYQBLUGAFZ-UHFFFAOYSA-N 383.817 0.754 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3cnnn3)cc2)NC(=O)N[C@@H]1C 9467429 FUZSXTXHCDAKGC-SNVBAGLBSA-N 386.368 0.338 0 40 GCAB CCCN(C(=O)COC(=O)c1nc2nccc(C)n2n1)[C@H]1CCS(=O)(=O)C1 9963831 PTSYRJNWMTZDJS-LBPRGKRZSA-N 395.441 0.015 0 40 GCAB C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 11694223 PZILQJRWMFSOJR-CHWSQXEVSA-N 383.445 0.573 0 40 GCAB COc1ccccc1N1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 12542211 LMFWDVDSVHIRAI-UHFFFAOYSA-N 394.435 0.786 0 40 GCAB COc1ccc(NC(=O)CN2CCN(c3ncnc4c3nnn4C)CC2)cc1 13533759 LFLHUYULRXXOHO-UHFFFAOYSA-N 382.428 0.528 0 40 GCAB COC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)CC1 13670010 NOEVKTGKYLWGIN-UHFFFAOYSA-N 384.454 0.873 0 40 GCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccccc1F 18267670 UVCUFPIUROXBLK-UHFFFAOYSA-N 385.351 0.689 0 40 GCAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CC(=O)N(CC)CC)cnc21 32719185 VHOOJVDIUGQKKX-UHFFFAOYSA-N 375.429 0.435 0 40 GCAB CCCN1CCC(N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 48275107 QRYLJWUDPXUQEC-UHFFFAOYSA-N 375.516 0.829 0 40 GCAB CN(C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1)S(C)(=O)=O 58203417 HIJNEKMBPVUZQP-UHFFFAOYSA-N 378.454 0.279 0 40 GCAB CN1C(=O)N(CC(=O)NCC(C)(C)N2CCOCC2)C(=O)C12CCCCC2 58398137 UIJQOITUTIJBEM-UHFFFAOYSA-N 380.489 0.810 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2(C(N)=O)CCCCC2)c1 72313032 GZXIENHXXXXGEI-UHFFFAOYSA-N 398.437 0.726 0 40 GCAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12 72347049 ICZMTPIFUZIXAC-BETUJISGSA-N 384.440 0.726 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)n(C)c1=O 90591392 LWXBQVOUZGPEBR-UHFFFAOYSA-N 398.338 0.727 0 40 GCAB Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2ccncc2)CCC3)cn1 96059662 NOACLOODIMRJGZ-UHFFFAOYSA-N 393.451 0.708 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 96377191 DGPBKLQFLVHBPS-UHFFFAOYSA-N 393.259 0.808 0 40 GCAB CNC(=O)CN1CCN(c2nccc(N[C@H]3CCCO[C@H]3C(C)C)n2)CC1 509146010 GAGLWUHSKPPQMS-YJBOKZPZSA-N 376.505 0.960 0 40 GCAB O=C(C1CCOCC1)N1CCO[C@@H](CS(=O)(=O)NCc2ccccn2)C1 521397045 SLQDPJMHDXNZOY-MRXNPFEDSA-N 383.470 0.155 0 40 GCAB CC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 585272875 PCWLACZKJFYBTQ-GFCCVEGCSA-N 383.451 0.416 0 40 GCAB CN(C[C@H]1CCCN(C(=O)c2cccc(OCC(=O)O)c2)C1)S(C)(=O)=O 668324003 KJTGZXOTHIOYJS-CYBMUJFWSA-N 384.454 0.894 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC2(CC[C@H]2NC(=O)c2cnccn2)CC1 2055803583 MMJWUYZLXAPTBX-CQSZACIVSA-N 380.470 0.412 0 40 GCAB CC(C)n1nccc1NC(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 4278452 FYQCVGCOIFJMHY-UHFFFAOYSA-N 385.380 0.649 0 40 GCAB Cc1nnc(SCCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 9124461 WHMQKEKRQVWHSY-UHFFFAOYSA-N 393.498 0.976 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cncn3)cc2)s1 11370038 GLKPCEQYKVJSJR-UHFFFAOYSA-N 377.451 0.965 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 12131421 JDKVDNFYOFYKKM-HOTGVXAUSA-N 395.460 0.764 0 40 GCAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nnnn2C2CC2)CC1 12778518 DRJXWPDFPIYMHH-UHFFFAOYSA-N 384.412 0.793 0 40 GCAB C[C@H]1C[C@@H]1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12925792 CJBWQWZIHNCQQZ-BBRMVZONSA-N 395.481 0.096 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccccn1 20732146 VOEIMBCIJFOOJN-AWEZNQCLSA-N 382.376 0.937 0 40 GCAB O=C(CN1CCN(Cc2nc(-c3ccsc3)no2)CC1)N1CCOCC1 23249100 ALQPHPYOWCAHDV-UHFFFAOYSA-N 377.470 0.775 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)N1 24960798 DCWXWNOWNZSWNC-UHFFFAOYSA-N 392.437 0.041 0 40 GCAB O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCOCC1 31872756 MMXXGWXDMPFTDX-UHFFFAOYSA-N 375.425 0.442 0 40 GCAB C[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1CCOCC1 32841069 PAKVCLOOLRYKBU-CYBMUJFWSA-N 384.454 0.182 0 40 GCAB NC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 33659195 OOAQJEXPZGKLAG-HNNXBMFYSA-N 379.482 0.811 0 40 GCAB Cc1sc2nc(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)[nH]c(=O)c2c1C 35311663 PWSZMIBDRZHPJY-UHFFFAOYSA-N 379.423 0.709 0 40 GCAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1C(=O)C1CCN(S(C)(=O)=O)CC1 100219931 VLZDJOLZTMSLHZ-KBPBESRZSA-N 394.497 0.620 0 40 GCAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 224583959 NOPLMJZCHBAERM-GOSISDBHSA-N 395.525 0.807 0 40 GCAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 225788677 YCQBMJVENHQSOJ-HNNXBMFYSA-N 397.435 0.034 0 40 GCAB O=C(Cn1ncc2ccccc2c1=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257340586 ZGUQZZKZTSFTJD-ROUUACIJSA-N 386.452 0.081 0 40 GCAB CC(C)N1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1 585283108 BWPPGNWHCUBBGC-FPOVZHCZSA-N 375.513 0.579 0 40 GCAB C[C@@H]1Cc2cc(C(=O)NCc3nc(C(N)=O)cs3)ccc2N1S(C)(=O)=O 618945084 PTNCMAPIOIXINN-SECBINFHSA-N 394.478 0.883 0 40 GCAB Cn1c(=O)c2c(nc(NCCO)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 2344855 YVBOFCXGNQKZCD-UHFFFAOYSA-N 397.357 0.905 0 40 GCAB biogenic O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 6909511 YYCRNOSZBNAMNI-KGLIPLIRSA-N 392.415 0.497 0 40 GCAB biogenic C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ncccn3)CC1)C2=O 8231062 OUUYKGPPDHXJQC-AUUYWEPGSA-N 386.456 0.626 0 40 GCAB O=C(Cn1cncn1)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 19749522 ZJBRATLLWFGNFT-INIZCTEOSA-N 391.453 0.103 0 40 GCAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)NC1CCCC1 20613957 OCMOBMXIVVWHLW-MRXNPFEDSA-N 389.452 0.964 0 40 GCAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 40284696 GTFWFMAXGLTZML-UHFFFAOYSA-N 399.451 0.428 0 40 GCAB CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 41854579 QSNBUKFOFGBHEW-UHFFFAOYSA-N 379.341 0.002 0 40 GCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3Br)CC2)N1 54535494 GQQFUCWCIZADFU-UHFFFAOYSA-N 388.243 0.812 0 40 GCAB CC(C)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cnn(C)c1 58294135 AXSKPTFLXFVFRR-UHFFFAOYSA-N 379.486 0.641 0 40 GCAB CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@H]12 82086861 LAKVTKCYGVWWTR-MSOLQXFVSA-N 385.447 0.881 0 40 GCAB CCCCS(=O)(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244209 CVBLFOMVKIPPFE-SFHVURJKSA-N 396.513 0.917 0 40 GCAB CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/c3cnn(C)c3)CC2)OC[C@]1(C)O 585288944 BDCSGSGDMXFOES-NCWIEVAOSA-N 376.457 0.471 0 40 GCAB O=S(=O)(CC[C@@H]1CCCCO1)NCCS(=O)(=O)N1CCSCC1 603280920 FDSXMXMEHQETMC-ZDUSSCGKSA-N 386.561 0.244 0 40 GCAB Cn1c(O)nc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1=O 1565520804 REQDASONIYQAPO-UHFFFAOYSA-N 396.333 0.269 0 40 GCAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nn1 1888913861 AFRWYKXYYLIMQY-BETUJISGSA-N 380.412 0.521 0 40 GCAB Cn1cnc2c(N3CCN(c4nccc(N5CCOCC5)n4)CC3)ncnc21 1889152056 IVDPIZBDSKDYRY-UHFFFAOYSA-N 381.444 0.317 0 40 GCAB COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 794824 ZBFIIBOTDPGPDN-UHFFFAOYSA-N 377.788 0.734 0 40 GCAB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4303677 RHHNTCYTVQANIZ-OYSTVDSJSA-N 395.408 0.289 0 40 GCAB CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 6659022 WNQBCCHFIICLDQ-WFASDCNBSA-N 393.415 0.910 0 40 GCAB COc1cc([C@H]2C/C(=C3\C(=O)N=C(O)N(C)C3=O)NN2)cc(OC)c1OC 8971045 FHOSRNJYSKYHSV-BLKPKJALSA-N 376.369 0.418 0 40 GCAB O=C(c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F)N1CCOCC1 12030954 ZYAUQYVTNGIAKV-LBPRGKRZSA-N 391.442 0.259 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16025021 RNCNDEZJKDJMRW-PENAAAJCSA-N 393.827 0.088 0 40 GCAB CCOC(=O)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 17296758 OKIVMIGUOGVHED-UHFFFAOYSA-N 395.423 0.731 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCN(C4CCCC4)C(=O)C3)ccc21 19659123 OKJRQYGOLJNPKH-UHFFFAOYSA-N 385.468 0.902 0 40 GCAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccn1)n2CCN1CCOCC1 32668217 HGBKEDXSCWYLAJ-UHFFFAOYSA-N 384.440 0.691 0 40 GCAB O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 41070354 ANJAKRLBKUJRDS-LBPRGKRZSA-N 376.438 0.647 0 40 GCAB COc1ccc(N2Cc3nn(CC(=O)NC[C@@H]4CCCO4)c(=O)n3C2=O)cc1 66091619 QYNMSCDFORLIQP-AWEZNQCLSA-N 387.396 0.337 0 40 GCAB CN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 89662618 IJPWKTFQXGTVAK-OLZOCXBDSA-N 390.506 0.024 0 40 GCAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)C(=O)NC1CCCC1 94993012 PAYKBWVKXIHAPH-UHFFFAOYSA-N 397.482 0.145 0 40 GCAB COC(=O)c1cn([C@H]2CCN(C(=O)CCN3C(=O)COc4ccccc43)C2)nn1 95940505 RIGPFICGVNHSIN-ZDUSSCGKSA-N 399.407 0.654 0 40 GCAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 102302541 IPHAWXRXLSKQAZ-ONIAQPFYSA-N 388.420 0.938 0 40 GCAB CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O 230077252 AXWLJQKHNCEKHK-JIUKPOSXSA-N 380.441 0.865 0 40 GCAB biogenic,in-vitro CN(C)S(=O)(=O)N1CC[C@@H](Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1 257202026 AKDVZKUILBPVIE-LBPRGKRZSA-N 391.453 0.908 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)c3ccc4c(c3)ncn4C)CC[C@@]2(C)O)c(O)nc1=O 257239129 HOBPEPKIGVBWPX-OXQOHEQNSA-N 397.435 0.982 0 40 GCAB COCCNC(=O)[C@H]1CN(C(=O)COC)C[C@@H]1c1ccnc(N2CCCC2)n1 257264814 LWCASSJKIBJXKO-GJZGRUSLSA-N 391.472 0.028 0 40 GCAB 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Cn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cn1 521396689 OUUPMTKSBVOSQU-CQSZACIVSA-N 384.502 0.505 0 40 GCAB CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 522852109 FRRGPVQLXUSODL-CQSZACIVSA-N 387.440 0.405 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 524732540 AFFUHVRPNPFMNA-UHFFFAOYSA-N 392.485 0.978 0 40 GCAB CSCc1cn(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)nn1 603217269 BSOXWTLJZQNCJW-UHFFFAOYSA-N 387.473 0.167 0 40 GCAB CS(=O)(=O)N1CC2(CN(C(=O)c3cc(C4CC4)on3)C2)c2nccnc21 1565555964 KSSOZJUJPIVWSR-UHFFFAOYSA-N 375.410 0.515 0 40 GCAB CC(=O)N[C@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O 4906367 CIHDSPCYFDFWRF-QRTUWBSPSA-N 380.224 0.454 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@H](C)NC(=O)c2ccccc2)NC(=O)N[C@H]1C 5231865 QQVZFEKKCRBYKY-RYUDHWBXSA-N 389.408 0.867 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1C 7258560 KSLHVMXOEYUXGY-GFCCVEGCSA-N 383.426 0.065 0 40 GCAB C[C@H](C(=O)NC(=O)NC1CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C 8011999 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COCCNC(=O)[C@@H]1CN(C(=O)COC)C[C@@H]1c1ccnc(N2CCCC2)n1 257264816 LWCASSJKIBJXKO-LSDHHAIUSA-N 391.472 0.028 0 40 GCAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cc2cccnc2nc1O 575414883 ZCHUNMTYFUJVEU-CQSZACIVSA-N 390.465 0.717 0 40 GCAB COc1ccccc1CNC(=O)C(=O)NCC1CCN([C@@H]2CCOC2)CC1 575616567 QIMOMJZRAZMDEA-QGZVFWFLSA-N 375.469 0.929 0 40 GCAB CC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2 585271048 GDKQLKGIOSJGQH-GWCFXTLKSA-N 395.437 0.530 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(C3CC3)cc2)CCO1 663026256 OEHQXTRVMQVSDH-MRXNPFEDSA-N 396.465 0.751 0 40 GCAB Cc1cc(NC(=O)CN2CCC3(CCOCC3)C2)n([C@H]2CCS(=O)(=O)C2)n1 1116161644 RPLRFLDBWKLRDN-HNNXBMFYSA-N 396.513 0.992 0 40 GCAB COCCN1[C@@H]2CN(C(=O)c3ccccc3OC)C[C@@H]2OCCS1(=O)=O 1534645766 AIQQPGLLAZMIOM-ZBFHGGJFSA-N 384.454 0.197 0 40 GCAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O 3446576 LFQSFSISCGFCPR-UHFFFAOYSA-N 375.381 0.597 0 40 GCAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)O 5324578 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226743800 VPLXCGKSZHRBKM-UHFFFAOYSA-N 377.850 0.174 0 40 GCAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 247504679 REKMWJZNLWANDN-WBMJQRKESA-N 399.494 0.953 0 40 GCAB NC(=O)c1cnc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 1116866578 GYMLUFFXKWINQH-LLVKDONJSA-N 386.861 0.474 0 40 GCAB COCCN1[C@@H]2CN(C(=O)Nc3cccc(OC)c3)C[C@@H]2OCCS1(=O)=O 1534645803 GIPWGRIWGRCFRE-CVEARBPZSA-N 399.469 0.588 0 40 GCAB O=C(O)CCCOCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 1911936416 XBVPJOVLPZXVNJ-UHFFFAOYSA-N 386.382 0.791 0 40 GCAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 3283093 SOXXSKUQMYCQNP-UHFFFAOYSA-N 391.380 0.675 0 40 GCAB CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4370407 CNUOBKAPZWMSJO-UHFFFAOYSA-N 396.407 0.331 0 40 GCAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)CC1 7981428 PKBFVZIQHGWSKD-UHFFFAOYSA-N 398.437 0.548 0 40 GCAB COc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1S(=O)(=O)N(C)C 8734891 GESQKUCFBVAKCO-LBPRGKRZSA-N 386.474 0.967 0 40 GCAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9992946 KOBMMUBJRSAOBO-YVEFUNNKSA-N 395.437 0.225 0 40 GCAB CCOC(=O)/C=C/C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 10747219 QVBAGOSXENMEEE-AATRIKPKSA-N 378.337 0.768 0 40 GCAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1 12422771 JUSFQZMZJNAXII-SNVBAGLBSA-N 379.438 0.714 0 40 GCAB CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc3n2CCCCC3)CC1 14122773 LAUFZYROAHJYBQ-UHFFFAOYSA-N 394.545 0.765 0 40 GCAB COCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(N)=O)c1C 21822494 GQIXIFVDGGGUGC-UHFFFAOYSA-N 385.442 0.229 0 40 GCAB CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 21838928 TXKVCPJZFNSKMR-RMKNXTFCSA-N 396.465 0.746 0 40 GCAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC(C(=O)NCCCO)CC1 32928694 HRZSPRBIUUHQJG-CQSZACIVSA-N 391.468 0.631 0 40 GCAB Cn1cc([C@H](C(=O)O)N2CCN(S(C)(=O)=O)CC2)c2cc(C(=O)O)ccc21 36359987 HCROCZODVXRRHU-OAHLLOKOSA-N 395.437 0.579 0 40 GCAB CC(C)CN(C(=O)Cn1cc(-c2nnco2)ccc1=O)[C@H]1CCS(=O)(=O)C1 40139007 OZIFJFVLVMEKSE-AWEZNQCLSA-N 394.453 0.570 0 40 GCAB Cc1ccn(CCNC(=O)C(=O)Nc2cccc(C(=O)c3nccn3C)c2)n1 44919149 HUTALWVZEVZGTB-UHFFFAOYSA-N 380.408 0.911 0 40 GCAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)n(C)c(=O)c3sccc32)C1 57426459 AUSYSDPJPQAZNF-LLVKDONJSA-N 379.438 0.563 0 40 GCAB CN(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCS(=O)(=O)C1 58168142 YXOABEVEBUKTDD-HNNXBMFYSA-N 390.469 0.732 0 40 GCAB Cn1cnc2c1c(=O)n(CCCS(=O)(=O)c1ccccc1Cl)c(=O)n2C 95949447 BIHJQPMLXFRRCU-UHFFFAOYSA-N 396.856 0.951 0 40 GCAB CC(C)[C@@]1(O)[C@@H](O)[C@H]2O[C@@]23[C@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@H]2O[C@]23[C@@H]1O 100794667 DYVDZVMUDBCZSA-UQCVVEJQSA-N 378.421 0.058 0 40 GCAB CC(=O)[C@]1(O)CC[C@@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 153215498 ATMZVVNNICECKQ-GAJPOIFQSA-N 380.481 0.831 0 40 GCAB biogenic Cc1ccc(N2C(=O)[C@H]3c4c(O)nc(N5CCOCC5)nc4N[C@H]3C2=O)cc1 675020636 ZZPCNPCHAHYRQV-GXTWGEPZSA-N 381.392 0.778 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4cc(=O)n(C)c(O)n4)CC3)n2)n1 1775969312 KPTLSARHEYIXDP-UHFFFAOYSA-N 397.439 0.687 0 40 GCAB COc1nc(N2CCO[C@@H](C(=O)N3CCOCC3)C2)ncc1Br 1888859861 AXBRGFZORXRFEM-LLVKDONJSA-N 387.234 0.312 0 40 GCAB CCN1C(=O)[C@@H](CC(N)=O)N(NC(=O)c2ccc(Br)cc2)C1=S 1441921 DRURELKXJADXOQ-SNVBAGLBSA-N 399.270 0.787 0 40 GCAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1C 4303951 QTGJEIKOKSYTRL-UHFFFAOYSA-N 394.435 0.858 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1OC 4813818 HYFVWXLALNVAJK-CQSZACIVSA-N 398.481 0.963 0 40 GCAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8193916 BHOKUKFMHJTCFU-KRWDZBQOSA-N 393.509 0.692 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 9550034 VULCLFDLJQVUHP-SFHVURJKSA-N 377.397 0.330 0 40 GCAB Cc1ccc([C@@]2(O)CCN(C(=O)CNC(=O)c3nc4ncccn4n3)C2)cc1 19718955 JXEIBSIVGWDGSE-LJQANCHMSA-N 380.408 0.283 0 40 GCAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCN3CCN(C)CC3)C2=O)cc1 22581940 ONIFQPZUYGMMOU-KRWDZBQOSA-N 388.468 0.332 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn2ccccc2n1 23754572 NKACGCOOVMZUQB-UHFFFAOYSA-N 396.451 0.812 0 40 GCAB COc1ccc(C)cc1NC(=O)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 26279867 QTNWUMNRQQIPFV-UHFFFAOYSA-N 398.485 0.665 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1 48289979 SBSRYRXXAODVBK-CQSZACIVSA-N 393.465 0.891 0 40 GCAB Cn1nc(N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)ccc1=O 90592449 XCOWVPHDPSJRDC-MRXNPFEDSA-N 382.468 0.741 0 40 GCAB CCOC(=O)CN1CCC2(CC1)O[C@@H](C(=O)NCC1CC1)Cn1ccnc12 96080139 BJSFAORAFNXRQY-OAHLLOKOSA-N 376.457 0.662 0 40 GCAB O=c1[nH]c2cc(S(=O)(=O)N3CCc4nc5ccccn5c(=O)c4C3)ccc2o1 238840449 HSWXSWGZGMOMBH-UHFFFAOYSA-N 398.400 0.876 0 40 GCAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)c1 408597563 ZHWOSPGNFRMHAV-UHFFFAOYSA-N 380.422 0.983 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccn3)C(=O)[C@H]12 409277303 AOYCYMOMLKBUFN-QZNHQWIBSA-N 386.360 0.343 0 40 GCAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(CCn5nccn5)C[C@@H]4C3)ncn2)n1 585616740 RROKRAYGVPJPOG-CALCHBBNSA-N 379.472 0.939 0 40 GCAB CNc1cnc(C(=O)NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2)cn1 628030204 VBJBSBPQRIDSLW-YVEFUNNKSA-N 387.444 0.218 0 40 GCAB O=C(N[C@@H](C(=O)O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)N1 659190114 MYIKUFYLNJZHTP-VHSXEESVSA-N 377.216 0.383 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)C1(F)CCC1)C2 1614947447 HHUNXJNWERXGFN-QGZVFWFLSA-N 377.420 0.479 0 40 GCAB Cc1cnn(C)c1C(=O)N1CCOC2(CCN(C(=O)C3=COCCO3)CC2)C1 1615611001 IBIMCVDZMMTRJT-UHFFFAOYSA-N 390.440 0.450 0 40 GCAB COc1ccc2c(C)c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1 2154311 JIHIBVAPJJWRNT-UHFFFAOYSA-N 376.365 0.360 0 40 GCAB biogenic Cn1c(N)c(C(=O)COC(=O)c2cccc(Br)c2)c(=O)n(C)c1=O 3237808 YLBIWXPJDRSEKL-UHFFFAOYSA-N 396.197 0.468 0 40 GCAB Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c3c(c(=O)oc2c1)CCCC3 4081844 NEDWMPSWHZWUBC-UVNCQSPWSA-N 392.404 0.159 0 40 GCAB biogenic COC(=O)Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314297 KYJAIDWUFSTFBE-LBPRGKRZSA-N 389.412 0.118 0 40 GCAB COc1ccc(C(=O)NCCc2nnc3ccc(SCC(N)=O)nn23)cc1 4358514 UUYRDPHCPQQFJP-UHFFFAOYSA-N 386.437 0.683 0 40 GCAB COc1ccccc1NC(=O)CSc1nnc(CCC(=O)O)c(=O)n1N 9638507 VBTDWPZUEPFGQI-UHFFFAOYSA-N 379.398 0.109 0 40 GCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 12141947 KKSSBHJAFWBUTM-CQSZACIVSA-N 387.444 0.305 0 40 GCAB COc1ccc(-c2cc3nc(CCNC(=O)[C@@H]4CC(=O)N(C)C4)nn3cn2)cc1 12326199 XZOJXHVEWMLVMR-CQSZACIVSA-N 394.435 0.937 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1 12365211 AKUYUMXXBGJMNP-UHFFFAOYSA-N 398.463 0.800 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 12763227 QNYLMOHJGOCWQW-VIFPVBQESA-N 380.430 0.740 0 40 GCAB CC(C)CNC(=O)NC(=O)CSc1nnc(CCC(N)=O)n1CC(C)C 17274859 KDSNFTUDFYXMJG-UHFFFAOYSA-N 384.506 0.926 0 40 GCAB NCCn1nc([C@@H]2CCN(C(=O)COC[C@H]3CCCCO3)C2)c2nccnc21 19404380 HLOITYYEAJNGCJ-HUUCEWRRSA-N 388.472 0.687 0 40 GCAB CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(C)=O)CC2)cc(C)n1 19698322 HXPLIHPPOTYIKW-LJQANCHMSA-N 387.484 0.858 0 40 GCAB CN1CCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 20041977 WCJJLMRCVJPVIX-UHFFFAOYSA-N 380.514 0.729 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 39998331 FZSJOQWOQMIMQP-NWDGAFQWSA-N 380.422 0.114 0 40 GCAB Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 95940699 WAYAQLCIFSAEFX-GFCCVEGCSA-N 394.409 0.810 0 40 GCAB COCCCNC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C)c1)C2=O 98213142 WTMSLVRUBXKESE-UHFFFAOYSA-N 387.440 0.162 0 40 GCAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 225443656 IJPPKYBCZBYVRB-CQSZACIVSA-N 394.435 0.932 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 522042162 LAPJBQOZQKEKRR-INIZCTEOSA-N 379.482 0.863 0 40 GCAB CC(C)N1C[C@]23CN(C(=O)c4cnn5ccccc45)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565550060 OFXSCYQWCVOATQ-RPVQJOFSSA-N 390.465 0.740 0 40 GCAB O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2 1614934678 LUIAOFSZBCNIDA-OAHLLOKOSA-N 375.473 0.478 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCC(COc3ncccn3)CC2)CC1 1775996260 LSIKFXJJBZOIBA-UHFFFAOYSA-N 382.486 0.766 0 40 GCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888922140 RGJIMUSWRRMITQ-JTQLQIEISA-N 378.376 0.579 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CCS(=O)(=O)c2ccccc2)n(C)c1=O 1087778 WPESAFJVWZGNCH-UHFFFAOYSA-N 382.829 0.561 0 40 GCAB CC(C)CN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(F)cc2)C1=O 3341615 UEPPNLMQXHCWEW-UHFFFAOYSA-N 392.387 0.669 0 40 GCAB CNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 8938885 JMNAHNHMSMUUPX-FEAKQIBJSA-N 397.453 0.600 0 40 GCAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 12158590 RSENDLJUDZWZDY-AZQPONJRSA-N 383.452 0.919 0 40 GCAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)c2nccnc21 19021477 WSFOABCOXYJNCT-HUUCEWRRSA-N 386.456 0.847 0 40 GCAB O=C1C(=O)N(CN2CCN(c3ncccn3)CC2)C(=O)N1Cc1cccs1 23762244 WWFZCJNFJNPINN-UHFFFAOYSA-N 386.437 0.609 0 40 GCAB Cn1c(=O)c2cc(C(=O)Nc3cccnc3-n3cccn3)cnc2n(C)c1=O 25011730 AHNGRCKDTOECJN-UHFFFAOYSA-N 377.364 0.465 0 40 GCAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 30853374 QYJNZHZQAWXNQC-AWEZNQCLSA-N 375.491 0.307 0 40 GCAB Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)no1 40144108 VYQIJODMXAZAKD-UHFFFAOYSA-N 378.410 0.455 0 40 GCAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc2ccccc2c1 62725329 FRTSLPFLUVGQPA-MDMHHNQBSA-N 389.404 0.733 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)CC1 96122069 ABCXKWVVMQIZKM-UHFFFAOYSA-N 390.483 0.077 0 40 GCAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222815317 ITPICNXQGQEFLU-NSHDSACASA-N 375.878 0.695 0 40 GCAB O=C1CC(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)CC(=O)N1 575414593 BYJMYMLHODXNQM-AWEZNQCLSA-N 382.413 0.567 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)NCCN[C@]1(C)CCS(=O)(=O)C1 575420995 HEZPAKMLTSLLCL-OAHLLOKOSA-N 376.500 0.449 0 40 GCAB Cc1ccc(C(=O)N2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C2)cc1 643913458 YPRLUHGIBSIVDW-WJFTUGDTSA-N 381.469 0.471 0 40 GCAB COCCN1C(=O)C[C@H](CNc2nc(N)c3cnn(C)c3n2)[C@H]1c1cnn(C)c1 664114830 HCMPCLIMIFSIPA-ABAIWWIYSA-N 399.459 0.327 0 40 GCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@]2(C1)CN(c1ccsc1)C(=O)CO2 1142640189 PWZDIVOTNSCHBA-MMNPAVHPSA-N 378.450 0.601 0 40 GCAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccc(OC)nn5)C[C@H]4C3)ncnc21 1888914056 PVKFCAYBRUYWOO-CHWSQXEVSA-N 394.439 0.853 0 40 GCAB Cn1c2c(c(=O)n(C)c1=O)[C@@](NC(=O)c1cccs1)(C(F)(F)F)C(=O)N2 2383676 FHRAYYDXTXCCMF-ZDUSSCGKSA-N 388.327 0.285 0 40 GCAB C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)c1ccccc1 6371088 RRIWFRIBTNLIQR-GFCCVEGCSA-N 399.407 0.028 0 40 GCAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 8546638 FHIFCKVOKUUFHC-GOSISDBHSA-N 384.396 0.185 0 40 GCAB COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)cc12 8764305 UPZJJOCQKSTUDK-JTQLQIEISA-N 378.385 0.817 0 40 GCAB biogenic O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CCC1 8779697 YFRPTRVHGXCFEX-UHFFFAOYSA-N 395.481 0.390 0 40 GCAB CS(=O)(=O)Nc1nc2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2s1 12324146 XBZIOSLJJQDJNG-SECBINFHSA-N 387.464 0.708 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1=O 12748103 RGHQPLFBEYIFJD-RBUKOAKNSA-N 399.407 0.132 0 40 GCAB C[C@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(N)=O 14241979 RQZNXSWEYPHVAI-CMPLNLGQSA-N 384.410 0.028 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)CC1 15858510 XWGWHPLFUNAWMV-UHFFFAOYSA-N 395.437 0.667 0 40 GCAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCOC)C1)C2=O 19699945 YNGDFSWNKNACHG-HNNXBMFYSA-N 380.489 0.810 0 40 GCAB C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)NCc1ccco1 32910496 NKBZGNXBPZVSMV-NSHDSACASA-N 379.394 0.325 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@H]21 32912447 MNQKWUDGRYGYTO-GXFFZTMASA-N 388.467 0.095 0 40 GCAB CC(=O)N1CCC(NC2(Cc3cc(CN4CCOCC4)on3)COC2)CC1 67898367 NMDRVARTZZPBAM-UHFFFAOYSA-N 378.473 0.419 0 40 GCAB biogenic,in-vitro COC(=O)NCCC(=O)OCCC(C)CCOC(=O)CCNC(=O)OC 78989108 PSAVMRZGOLPADX-UHFFFAOYSA-N 376.406 0.981 0 40 GCAB CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 96143426 KRTQHCSGHJCIPZ-SFHVURJKSA-N 394.497 0.523 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 216307779 BLLDREJCXJOWEZ-CENDIDJXSA-N 389.404 0.733 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccncc3)C2)C(=O)N1Cc1ccccc1 225382084 LHOXAGUITJHDRJ-MOPGFXCFSA-N 392.459 0.640 0 40 GCAB biogenic,in-vitro CN1C[C@@]2(CCN(C(=O)c3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O 306123403 AMCVGVWEKUAYCS-QGZVFWFLSA-N 376.438 0.718 0 40 GCAB COC(=O)Cn1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)n1 609017658 OLCBMCYWDNDKGE-CQSZACIVSA-N 384.396 0.756 0 40 GCAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccccn2)cc1 4271448 JCAZUFWDXGATND-QGZVFWFLSA-N 398.419 0.321 0 40 GCAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCO)c2cccs2)cc1 4519523 XDQUZTVRLPCBNG-HNNXBMFYSA-N 396.490 0.796 0 40 GCAB COCCCn1c(C(=O)NCC(=O)OC)cc2c(=O)n3cccc(C)c3nc21 5205749 SHDNYDZKHZMSOH-UHFFFAOYSA-N 386.408 0.897 0 40 GCAB COC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9306671 LEDHUOKUWZNBTG-JTQLQIEISA-N 398.466 0.381 0 40 GCAB Cc1cccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1O 11711286 HCIFHIVEZYQFHE-UHFFFAOYSA-N 392.433 0.864 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3NC(=O)C[C@@H]3C)CC2)cc1C 12814188 FFGASQYYZRORIH-HNNXBMFYSA-N 394.497 0.262 0 40 GCAB C[C@@H](O)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)O 14169182 DWGSIERYPHGXHY-IUODEOHRSA-N 384.454 0.815 0 40 GCAB CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)Cc1cscn1)CC2 15002994 ZLMXPFSJHPODDR-UHFFFAOYSA-N 376.486 0.677 0 40 GCAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCN(Cc4ccccn4)CC2)[C@@H]3C1=O 19447724 MXVRPLMEAGKROJ-JPAWQOSXSA-N 396.491 0.916 0 40 GCAB COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@H]2CS(=O)(=O)C[C@H]21 32639821 ADXQAJNRXXOCJP-WCQYABFASA-N 383.495 0.858 0 40 GCAB Cn1c(=O)c2sccc2n2c(CN3CCN(c4cnccn4)CC3)nnc12 32932841 RBNKAUXAFJPXRN-UHFFFAOYSA-N 382.453 0.755 0 40 GCAB CN1CCOc2ccc(NS(=O)(=O)CCN3C(=O)CCCC3=O)cc2C1=O 38677950 PFDCCXMBGRGZPX-UHFFFAOYSA-N 395.437 0.432 0 40 GCAB CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)nc(N2CCOCC2)n1 96100944 ZSKJEBHCGJMMDK-UHFFFAOYSA-N 397.501 0.154 0 40 GCAB CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(NC(=O)c2ccccc2)nc1=O 102278888 ZETRQTRYIDJFPT-VMUDFCTBSA-N 375.381 0.070 0 40 GCAB COCCOC[C@@]1(CNS(=O)(=O)c2ccc(F)cc2)C[C@H](O)[C@H](O)C1 107283888 WQIWKCHREVWLPR-MUJYYYPQSA-N 377.434 0.269 0 40 GCAB biogenic,in-vitro COC(=O)C1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 222801107 SNSDXQKRORXHEL-UHFFFAOYSA-N 386.445 0.999 0 40 GCAB Cc1c(C)[n+]([O-])c([C@H](C2C(=O)NC(=O)NC2=O)[C@H]2CC=CCC2)n1CCO 524734547 PTQODJUXHYLWLY-STQMWFEESA-N 376.413 0.153 0 40 GCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)c1 575616949 RIGAULSBMMFSBQ-UHFFFAOYSA-N 398.393 0.081 0 40 GCAB CC(C)(O)C(=O)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@H]2C1 1549160484 DTDGXTZTODIXBP-CQSZACIVSA-N 392.431 0.994 0 40 GCAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccnc5)C[C@H]4C3)ncnc21 1888921898 XKRNYUFSMMEHSN-OKILXGFUSA-N 399.480 0.998 0 40 GCAB Cn1c(=O)n(CC(=O)NCCCN)c(=O)c2c3c(sc21)COC(C)(C)C3 6760430 XIOKZTGQXVHUIR-UHFFFAOYSA-N 380.470 0.078 0 40 GCAB O=C(CN1CCN(c2ccccc2O)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 7349222 TXSGXJRWSFWKBG-MRXNPFEDSA-N 393.509 0.692 0 40 GCAB CC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(OC)cc1 8424679 XUZPVDAZJFMSEZ-CQSZACIVSA-N 385.424 0.710 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC2CCC(O)CC2)cc1C 9494505 AYSPXJUULNYPIA-UHFFFAOYSA-N 397.497 0.118 0 40 GCAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)CN4C(=O)CCC4=O)C3)cc2n1 12134655 FNXXIENAGQFCIE-GFCCVEGCSA-N 385.424 0.852 0 40 GCAB Cc1cc(NC(=O)[C@@H](C)On2nnc3ccc(S(=O)(=O)N(C)C)cc32)no1 15392900 UMNKHGQWAMARFL-SNVBAGLBSA-N 394.413 0.434 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 16890489 HBCGNSZHKRSCRH-UHFFFAOYSA-N 380.426 0.350 0 40 GCAB COC(=O)c1csc(S(=O)(=O)N2CCN(c3nccc(OC)n3)CC2)c1 29853513 QESSJMNINXTBDX-UHFFFAOYSA-N 398.466 0.844 0 40 GCAB O=C(NC[C@H]1CCCO1)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 41070356 ANJAKRLBKUJRDS-GFCCVEGCSA-N 376.438 0.647 0 40 GCAB CC[C@@H]1CN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)CCO1 60350253 WYEZVYLDOXPMBK-GFCCVEGCSA-N 397.453 0.482 0 40 GCAB O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1)N1CCCCC1 95461875 MEZXLKRMERRJBJ-CQSZACIVSA-N 388.511 0.864 0 40 GCAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1)c1cnn(C)c1 95960205 BYJHEHVVVHRCBH-MRXNPFEDSA-N 381.440 0.963 0 40 GCAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(S(=O)(=O)C1CC1)C2 96251173 VXWGMQBQTWZMQN-RHSMWYFYSA-N 379.486 0.328 0 40 GCAB C[C@H](C(=O)NCCCN1CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O 220480663 OBUWRKZJDIBFBO-CQSZACIVSA-N 387.477 0.819 0 40 GCAB Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cn1C 225604505 FHSZAJOQGBIFOS-UHFFFAOYSA-N 392.485 0.408 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCN1CCOCC1 408588713 DROZNYXENSABFO-AWEZNQCLSA-N 385.486 0.119 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@H](OCCO)c2ccsc2)C1=O 575620081 IJAUTFJLUVXILC-LLVKDONJSA-N 377.444 0.205 0 40 GCAB C[C@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1S(=O)(=O)c1cccnc1 585096323 IJUFSLCHDGHPOY-ZDUSSCGKSA-N 391.453 0.516 0 40 GCAB C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)ccc2N1S(C)(=O)=O 1636502587 RDFUSIXIKQTLLX-ZYHUDNBSSA-N 376.442 0.540 0 40 GCAB COCCN1CCOC[C@]2(C1)CN(S(=O)(=O)c1sccc1C)CCO2 2055816098 ZYSXRZDUUXAQAS-INIZCTEOSA-N 390.527 0.795 0 40 GCAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)c(C)c2oc1=O 2102328 BIGXQGDWGCXSIM-GFCCVEGCSA-N 390.392 0.803 0 40 GCAB biogenic CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)O 5274104 ZNGPROMGGGFOAA-XHSDSOJGSA-N 379.457 0.628 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2ccccc2)N(C)S(=O)(=O)N1 12131447 WDIPPJXISUZUJZ-HOTGVXAUSA-N 377.470 0.625 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O 12795914 BJNIDMFTDODNAU-UHFFFAOYSA-N 398.423 0.765 0 40 GCAB CC1(C)NC(=O)N(CCC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O 14237649 UCKZCTFTFHZZKP-UHFFFAOYSA-N 380.489 0.858 0 40 GCAB Cn1c(SCC(N)=O)nnc1-c1nnn(Cc2ccccc2Cl)c1N 19897425 HXTIKMCEFWILCP-UHFFFAOYSA-N 378.849 0.935 0 40 GCAB COc1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 23058165 UGVGVQGHEWYLTL-GASCZTMLSA-N 397.497 0.807 0 40 GCAB Cn1c(N)c(C(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c(=O)n(C)c1=O 24828700 NKKAWMJJSFDDMG-UHFFFAOYSA-N 381.364 0.796 0 40 GCAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)c4cscn4)C3)C2)cn1 96225945 AYDQWHKGICEBEW-KRWDZBQOSA-N 386.437 0.919 0 40 GCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3S(C)(=O)=O)CCO2)cn1 97012894 DVQUTALABGMVAE-ZDUSSCGKSA-N 385.467 0.586 0 40 GCAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)C(=O)O 101273574 UTUVBQGJGHLLFS-RYUDHWBXSA-N 380.378 0.339 0 40 GCAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1 225439807 JLLYMIXLEZBFTM-SZVRAQGESA-N 378.429 0.404 0 40 GCAB biogenic,in-vitro CN1CCN(C[C@]2(O)CCCN(C(=O)c3cc4c(nc3O)CCC4)CC2)CC1 257255298 KGZFCYGSOKWDFM-NRFANRHFSA-N 388.512 0.881 0 40 GCAB CN(C)CCNC(=O)c1cnc2n1C[C@H](NC(=O)c1cccc(N(C)C)c1)CC2 306141324 VRZSGXPSZICNJY-MRXNPFEDSA-N 398.511 0.985 0 40 GCAB CCn1cc(-c2noc(CNC(=O)Cn3cnc4ccccc4c3=O)n2)cn1 390831842 VJSBYGXZQVKEPD-UHFFFAOYSA-N 379.380 0.979 0 40 GCAB CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1 681824522 SZTPVOMTXUAARJ-CQSZACIVSA-N 397.526 0.827 0 40 GCAB O=C([C@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCSCC1 2086860511 WWTDHCHUNAFBPV-CQSZACIVSA-N 382.486 0.740 0 40 GCAB CCOCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN(C)C1CCCCC1)CO2 2332243291 YNYVJTMCENUZOK-INIZCTEOSA-N 388.530 0.682 0 40 GCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccccc1Cl 4303980 BWVZVVSBPUJHIP-UHFFFAOYSA-N 386.799 0.586 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1NCCO)[C@@H]1CCS(=O)(=O)C1 7132371 BYFGBSNCKNHWEN-ZIAGYGMSSA-N 398.481 0.672 0 40 GCAB O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 9573632 GIJOAYFNZFDLEA-UHFFFAOYSA-N 391.431 0.888 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccncc2)C[C@@]12COc1ccccc1C(=O)N2 12123468 WSRHIHBJROMJTM-IIBYNOLFSA-N 394.431 0.803 0 40 GCAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccco3)NS(=O)(=O)N2C)C1 12130109 DVWPBTGXDQKFEZ-MELADBBJSA-N 399.469 0.661 0 40 GCAB Cn1cc(S(=O)(=O)NCCCn2ccc3ccccc32)c(=O)n(C)c1=O 12522830 XUVRLLRDACWHFK-UHFFFAOYSA-N 376.438 0.407 0 40 GCAB COc1cc2c(cc1OC)CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)CC2 12734317 KUIGPMXSGBWUSX-GOSISDBHSA-N 382.482 0.755 0 40 GCAB COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)c1ccccc1 23115247 WNGAGVMTOZESTE-AWEZNQCLSA-N 387.440 0.616 0 40 GCAB CC[C@@](C)(CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)N1CCOCC1 31924835 WAIKLCUWYUACSX-PXNSSMCTSA-N 387.484 0.724 0 40 GCAB Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(N2CCC(C(N)=O)CC2)n1 36235608 TYAXQQGUAFHPHJ-UHFFFAOYSA-N 383.456 0.837 0 40 GCAB NC(=O)c1ccc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1 36354066 BPWNHDRPLBEOMW-UHFFFAOYSA-N 379.376 0.250 0 40 GCAB Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)C2=O)n(C)n1 89591790 FLPAKLOMKMSFJG-IUODEOHRSA-N 395.419 0.635 0 40 GCAB COCCN1CCN(c2ccc3ccc(C(=O)NCC(=O)N(C)C)cn23)CC1 96155899 GRTWBUFGSIONQW-UHFFFAOYSA-N 387.484 0.526 0 40 GCAB Cc1cccc(CN2CCn3c(nn(CC(=O)NC[C@@H]4CCCO4)c3=O)C2=O)c1 98213145 WLVLMEQBMNWZKV-INIZCTEOSA-N 399.451 0.304 0 40 GCAB CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NCc3cccnc3)[C@H](O)[C@@H]2O)cc1 225502732 XUXVKTNRMIIQMY-AXUOBQJMSA-N 392.477 0.764 0 40 GCAB biogenic,in-vitro O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)NCc1ccc(F)cc1 245237766 VRKSBVLZNJQOGJ-SQWLQELKSA-N 383.445 0.849 0 40 GCAB COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1 257299023 ROJYCNSWHWLKKE-GOSISDBHSA-N 379.388 0.273 0 40 GCAB CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCOC[C@@H]2c2ncnn2C)c1 578088404 WCFRHKHHXRXWQD-CQSZACIVSA-N 394.457 0.671 0 40 GCAB CCN1CCN(C(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)C(=O)C1=O 618255126 LVWUYYWXQDPTRT-CYBMUJFWSA-N 383.408 0.894 0 40 GCAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)c5cnn(C)c5)C[C@H]4C3)n1)CCC2 1888890051 BZXGEVCSICDUPC-ZIAGYGMSSA-N 388.497 0.764 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@H]2O)c(=O)nc1O 2037853974 MYIKFYGAZWQMLX-HZPDHXFCSA-N 387.440 0.236 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ncc(C)s2)cc1 10628256 BUWFSSJGINISTB-UHFFFAOYSA-N 382.467 0.793 0 40 GCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC[C@H]2CCCO2)cc1 13371643 BVQNLBQSIUWZBP-KBMXLJTQSA-N 389.495 0.403 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(=O)[nH]c1=O 23122267 UQGWMRTYGSLGRU-ZDUSSCGKSA-N 386.408 0.663 0 40 GCAB CN(C)CCCNC(=O)C[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 32102570 RYIIUEAEPJSFGQ-ZDUSSCGKSA-N 376.413 0.498 0 40 GCAB COc1c2c(c(S(=O)(=O)NC[C@@H]3CCCO3)c3c1OCO3)CCN(C)C2 40312735 DUERFPYWKHMYQJ-NSHDSACASA-N 384.454 0.869 0 40 GCAB biogenic Cc1cccc(N([C@@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 220138181 FTMPUAGYZDTZNC-INIZCTEOSA-N 383.514 0.988 0 40 GCAB NS(=O)(=O)c1ccc2c(c1)C(=CC(=O)O)c1cc(S(N)(=O)=O)ccc1-2 225747050 FEIPMZVJSKITEV-UHFFFAOYSA-N 380.403 0.478 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 225795122 KUCLNVDGKQWJOV-CYBMUJFWSA-N 393.403 0.254 0 40 GCAB Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O 257255297 KGYZJIMVVROHAI-GSEOLPGOSA-N 399.495 0.225 0 40 GCAB Cn1ccnc1[C@H]1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 535968898 KBTOCHZBEWOVNW-AWEZNQCLSA-N 377.470 0.809 0 40 GCAB Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](COCCN4CCOCC4)CC[C@H]32)n1 585108502 XWFKCXCGULHZPV-GUDVDZBRSA-N 392.500 0.460 0 40 GCAB COCCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2ccccc2)no1 1775963902 IZYDJWWAYOERCK-ZDUSSCGKSA-N 380.426 0.858 0 40 GCAB biogenic,in-vitro CNC(=O)CSc1nc(C2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4341280 LBGGXRMXEWRLBV-UHFFFAOYSA-N 377.470 0.913 0 40 GCAB CC(=O)NCCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 4906456 FDZOQFPBTQKALM-ZIAGYGMSSA-N 396.494 0.233 0 40 GCAB Cc1ccc(NC(=O)CNCCCN2CCCC2=O)cc1S(=O)(=O)N(C)C 6206132 IGHPSJUZTBOESG-UHFFFAOYSA-N 396.513 0.786 0 40 GCAB CC(C)N1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O 7006454 RSIPNMYXZYHDHF-UHFFFAOYSA-N 394.815 0.936 0 40 GCAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 7990752 BHANGLVNXHGQRN-QGZVFWFLSA-N 398.448 0.987 0 40 GCAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(=O)[nH]c1 8775275 CTOWWQCNOXCEPO-UHFFFAOYSA-N 391.449 0.467 0 40 GCAB CCn1cc([C@@H]2C[C@@H](C(=O)NCc3ccccn3)N(C)S(=O)(=O)N2)c(C)n1 12088686 AZWKRLWWAIUYBT-HOTGVXAUSA-N 392.485 0.502 0 40 GCAB C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(N)=O 13102892 RQZNXSWEYPHVAI-JQWIXIFHSA-N 384.410 0.028 0 40 GCAB CC1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 23408766 CMGUIJBPIROZFZ-UHFFFAOYSA-N 384.433 0.420 0 40 GCAB O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(C2CC2)C1 29653749 VLTGOCAETIOILQ-ZDUSSCGKSA-N 376.457 0.758 0 40 GCAB COc1ccc(OC)c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 35884171 FDBZHTQAEULYGP-QGZVFWFLSA-N 377.441 0.966 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473920 SJKPREHZRXHEIV-ZJUUUORDSA-N 380.401 0.358 0 40 GCAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC(=O)N2C)cc1 96181211 NLQUKQSQUBQMRW-DOTOQJQBSA-N 379.482 0.618 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O1 225515387 LXPCFNBDTXSNCY-ZLJHSHKTSA-N 398.887 0.868 0 40 GCAB biogenic,in-vitro CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)CN1C 248023271 JYIDESPDUJFZSR-CQSZACIVSA-N 375.425 0.119 0 40 GCAB COc1ccc(C(=O)N2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1Cn1cccn1 257240450 HTNVMGJTMHGCNQ-INIZCTEOSA-N 385.424 0.098 0 40 GCAB CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@H]1O 257304525 SMBDQQZHRDXOCA-JHNDHUHGSA-N 396.451 0.748 0 40 GCAB COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)C[C@@H]2c2cn(C)cn2)C1=O 306139671 TXCRFROJBGWYEL-KUHUBIRLSA-N 386.456 0.258 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc(N)s2)CCO1 585282897 IZKWUMFZZQYRTL-KRWDZBQOSA-N 394.428 1.030 0 40 GCAB O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)c3cccc4c3OCCCO4)C2)N1 651679136 PXASKPFSXIJGDT-INIZCTEOSA-N 381.410 0.211 0 40 GCAB O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCO[C@H]([C@H]2CCCO2)C1 671771334 YMNBVIXNHKWFHR-KGLIPLIRSA-N 394.453 0.248 0 40 GCAB Cc1ncnc(C(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)c1C 1565555314 GDVJAXHOUHTAAN-UHFFFAOYSA-N 382.486 0.608 0 40 GCAB CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2nc(C)nc(N(C)C)n2)C1 1615612425 YFQOHUCRCNCDRC-IUODEOHRSA-N 377.493 0.954 0 40 GCAB O=C(N1CCC1)C1(n2cccn2)CCN(S(=O)(=O)c2cccnc2)CC1 2055772688 PJIFIJLUSMRNRQ-UHFFFAOYSA-N 375.454 0.690 0 40 GCAB COc1ccc(Cn2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4314135 BBIWVLKCKPPJCS-UHFFFAOYSA-N 396.407 0.000 0 40 GCAB COc1ccc(CCNC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1OC 8940772 QWEGNGBFOFPQLU-UHFFFAOYSA-N 383.408 0.805 0 40 GCAB Nc1c(N(CCO)C(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 12853781 HITYNRAGQJFNFW-UHFFFAOYSA-N 380.404 0.806 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566937 RNCNDEZJKDJMRW-JTJHUGLZSA-N 393.827 0.088 0 40 GCAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCCO 22249198 YWMBQQHHIVZJMC-UHFFFAOYSA-N 392.861 0.238 0 40 GCAB Cn1c(CN2CC2)c(C(=O)c2cccc(Br)c2)c(=O)n(C)c1=O 36356856 SMKKGDPWCCEBEO-UHFFFAOYSA-N 378.226 0.893 0 40 GCAB C[C@H]1COC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41314922 UGDWHIPIFNCPHB-GASCZTMLSA-N 381.498 0.872 0 40 GCAB COCCOc1ccc(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 58217793 YEMSQTMKPLZJJP-ZDUSSCGKSA-N 386.474 0.900 0 40 GCAB Cc1noc(C)c1CN1CCN(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)CC1 71280571 NYYYOLGDVPYDMT-CQSZACIVSA-N 379.461 0.100 0 40 GCAB COC(=O)[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1C(=O)OCc1ccccc1 79420001 CJZXRKLCROXJCM-HOTGVXAUSA-N 377.441 0.992 0 40 GCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1cccn1C)CCN(C(=O)N(C)C)C2 96036225 ZCGRIXDRBWCZGZ-LJQANCHMSA-N 375.473 0.703 0 40 GCAB COc1ccccc1CCn1c2c(c(=O)[nH]c1=O)[C@](O)(C(F)(F)F)C(=O)N2 101330304 NEMOFSXTUVNCIA-OAHLLOKOSA-N 385.298 0.490 0 40 GCAB COC(=O)[C@H]1C2[C@@H]3[C@@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C3(OC(C)=O)C41COC(C)=O 104283491 AAIDZJWLJGLDMD-OOWVCOICSA-N 378.377 0.181 0 40 GCAB O=C(Cn1cnc2ccccc21)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206905766 NWRTUANKXFPBBH-UHFFFAOYSA-N 389.423 0.756 0 40 GCAB COC(=O)COc1ccc(S(=O)(=O)N(C)CCO)cc1Br 226686527 BUTBUTFPTALWGX-UHFFFAOYSA-N 382.232 0.614 0 40 GCAB CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC[C@@H]1O 257251586 JRKBIWXJXSKWSW-IRXDYDNUSA-N 386.452 0.521 0 40 GCAB CNCCOc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 257279584 OHHTXSMEKDSKDC-GUDVDZBRSA-N 377.485 0.581 0 40 GCAB Cc1nc(N2CCO[C@@H](CN(C)C)C2)cc(N2CCO[C@H](CN(C)C)C2)n1 532780822 OMHOYYAEVBDJPU-CALCHBBNSA-N 378.521 0.319 0 40 GCAB CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)CSCC(=O)N1CCOCC1 598204815 ZEQXVVUWBROEKG-WMLDXEAASA-N 396.513 0.689 0 40 GCAB CN1CCC2(CCCCN(C(=O)C3CC3)CC[C@H](O)[C@H](O)COC2=O)CC1 643580913 YSTUXZGPNBYEJB-DLBZAZTESA-N 382.501 0.776 0 40 GCAB Cn1cnnc1[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1558164476 GQWFJJBLKXKERD-TZMCWYRMSA-N 385.428 0.322 0 40 GCAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1669288263 VSKMEPSKKQCMCS-STQMWFEESA-N 381.520 0.067 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(N)=O)C1 1347165 YXUDWYHKBKPWIA-JTQLQIEISA-N 389.861 0.351 0 40 GCAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4303678 RHHNTCYTVQANIZ-VHPHOLNESA-N 395.408 0.289 0 40 GCAB COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 4495871 LVLRBEUCUNAWIL-CYBMUJFWSA-N 385.376 0.470 0 40 GCAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2nnc(C)s2)n1C 9878201 WTRJJQPLRMGDKB-UHFFFAOYSA-N 395.430 0.714 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 12131457 UKMFUUHRFLSSCR-KBPBESRZSA-N 383.499 0.686 0 40 GCAB O=C(Cc1nc2[nH]c3c(c(=O)n2n1)CCCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 16431285 HUDHIURIQGFKQT-UHFFFAOYSA-N 379.380 0.647 0 40 GCAB O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCN(Cc2ccccn2)CC1 19401782 NBUXWGMOZZSWHV-IBGZPJMESA-N 385.512 0.859 0 40 GCAB Cc1c(S(=O)(=O)N2C[C@@H](c3cccnc3)[C@@]3(CCCC(=O)N3)C2)cnn1C 19553971 YQCUGXZMKHWQEH-MAUKXSAKSA-N 389.481 0.951 0 40 GCAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3[C@@H](O)[C@@]21C 20411558 HMSAIGOZLMKVAN-FIAZYZPESA-N 378.513 0.881 0 40 GCAB biogenic CC(C)C(=O)NCCNC(=O)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 25602533 YFKDZJNKJVGCGN-HUUCEWRRSA-N 381.473 0.857 0 40 GCAB CCN1C(=O)C(=O)N(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 26614938 LLGZPTIAEJJIPE-UHFFFAOYSA-N 380.426 0.068 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)s1 32550399 HVKYRYLRSVWVQE-LLVKDONJSA-N 380.513 0.370 0 40 GCAB CC(C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 35291094 LZAMVJFIYMYBHL-UHFFFAOYSA-N 398.467 0.666 0 40 GCAB C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N1CCNC1=O 58006998 KFWBCQUVDWYUIH-SSDOTTSWSA-N 375.790 0.085 0 40 GCAB CC(=O)c1ccc(N2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)cc1 70014834 QNKSGIINACCCPR-UHFFFAOYSA-N 384.440 0.531 0 40 GCAB CCc1ccc(OC[C@@H](O)Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)cc1 100687609 HRRZHOLKBWFIBF-NSHDSACASA-N 376.438 0.714 0 40 GCAB CCC[C@H](C)[C@]1(CC)C(=O)N=C(S[C@H]2CS(=O)(=O)C[C@H]2O)NC1=O 245380822 NXXAPSZQDRRYHL-AXFHLTTASA-N 376.500 0.723 0 40 GCAB CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)c1OC 262177943 WBSCVYXBSFUQSG-JTQLQIEISA-N 376.818 0.946 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C)CC1 408620875 KCAUMQPSZPWYSF-NSHDSACASA-N 375.878 0.789 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cn2ccnc2)CCO1 585283976 PYXLXQAWVDCUQJ-GOSISDBHSA-N 376.388 0.574 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cc(C)on5)C[C@@H]4C3)ncnc21 1888916502 ZOEIETQEEPTLAC-KBPBESRZSA-N 397.439 0.978 0 40 GCAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 800792 OADVOMIZYVYNON-UHFFFAOYSA-N 379.482 0.811 0 40 GCAB C[C@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 3240262 XUIHSCGYRQEWKG-STQMWFEESA-N 384.454 0.730 0 40 GCAB COC(=O)CNC(=O)COC(=O)c1ccc(I)cc1 3247933 JZZRPSYCPIMSNE-UHFFFAOYSA-N 377.134 0.737 0 40 GCAB Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)c2ccccc2)n1 4038344 HNAQGKDATQAWMR-AWEZNQCLSA-N 380.408 0.959 0 40 GCAB CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4161088 JGFCLILUAFBHMN-NSHDSACASA-N 379.486 0.804 0 40 GCAB Nc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1 4769189 HEWUQFYYFBVBKP-YPHNTLSLSA-N 389.437 0.312 0 40 GCAB CN(C)C[C@H]1CN(C)C[C@@H](CN(C)C)C1(O)[C@H](C(=O)N(C)C)c1ccccc1 4962019 NCMASPPTUFNNND-KIVGGJHMSA-N 390.572 0.891 0 40 GCAB COc1ccc(OC)c(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 7286660 ZPBNFXOKADJYDL-UHFFFAOYSA-N 388.380 0.194 0 40 GCAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8062086 GYTJARAKQFAECN-UHFFFAOYSA-N 397.497 0.694 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc3c(c2)NC(=O)CO3)c1 12914994 LCYMJLNJRPRGSX-UHFFFAOYSA-N 391.405 0.312 0 40 GCAB COCC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 19581335 JFDZURKXUGDEHZ-GJZGRUSLSA-N 375.473 0.744 0 40 GCAB CCc1cc(C(=O)NCCc2c(C)nn(C)c2C)c2c(=O)[nH]c(=O)n(C)c2n1 19714554 IPSMADDFZXIEDI-UHFFFAOYSA-N 384.440 0.507 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 35388389 YTGUAMZIQBUIEO-AWEZNQCLSA-N 376.432 0.411 0 40 GCAB C[C@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)Nc1ccc(N2CCOCC2)cc1 51568073 MRXQJDXVXKNQCM-KBPBESRZSA-N 375.425 0.920 0 40 GCAB O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CCc2ccccc21 84581881 HGMAMVAOGNAJIU-GOSISDBHSA-N 383.452 0.958 0 40 GCAB COC(=O)C1(C(=O)OC)O[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 104243353 BABFQGSVMPHVNB-FRRDWIJNSA-N 377.349 0.082 0 40 GCAB Cc1cc(C)n2nc(C(=O)NCc3nnc4ccc(N5CCCC5)nn34)nc2n1 252507539 WNZVIVUTGFCOBJ-UHFFFAOYSA-N 392.427 0.709 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnc(C)cn3)CC2)CC1 257242590 IDFJSSBLAIKSPF-HXUWFJFHSA-N 389.500 0.743 0 40 GCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@H]21 585109950 SFBXWXDKKRQDPT-ORHYLEIMSA-N 376.436 0.507 0 40 GCAB CC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 585272885 PCWLACZKJFYBTQ-LBPRGKRZSA-N 383.451 0.416 0 40 GCAB Cc1noc(CN2CCCC[C@@H](NS(=O)(=O)C[C@H]3CCCCO3)C2=O)n1 643681417 PAWZNSHUBYIQPP-ZIAGYGMSSA-N 386.474 0.748 0 40 GCAB CCN=c1nc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc(C)[nH]1 1889134003 ZLIQJPUUKKUWMQ-UHFFFAOYSA-N 386.481 0.910 0 40 GCAB Cc1nc2ncnn2c(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1C 1889175257 WNNCTJPLKMHYFS-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB CN1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 3310148 BODOPYSGBUQZOZ-UHFFFAOYSA-N 395.525 0.804 0 40 GCAB CCCc1cnc2c(c1SCC(=O)NCCOC)c(=O)n(C)c(=O)n2C 10216880 JXPKMYYOUWNYNN-UHFFFAOYSA-N 380.470 0.439 0 40 GCAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12844750 IMYSWECBTBQJLP-AWEZNQCLSA-N 386.449 0.352 0 40 GCAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccccc2)c1=O 12881637 PELJPZDRMQSNRD-UHFFFAOYSA-N 387.440 0.478 0 40 GCAB COCCCNc1nc2c(c(=O)n(Cc3ccc(OC)cc3)c(=O)n2C)n1C 13142224 GBLLYJULGJVLRO-UHFFFAOYSA-N 387.440 0.939 0 40 GCAB biogenic CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)cc2n1 19585635 REICECKAROGNBL-CYBMUJFWSA-N 398.467 0.713 0 40 GCAB CCc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)s1 19799708 TWHFNABZFHEBAR-UHFFFAOYSA-N 383.503 0.792 0 40 GCAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 40154489 FXUORYMRGSCUBC-CYBMUJFWSA-N 396.513 0.939 0 40 GCAB C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2NC1=O 58440857 RGJUIFYKMXCDCP-CMPLNLGQSA-N 382.442 0.952 0 40 GCAB CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 60239967 LAXFKTZMBXRHOH-OAHLLOKOSA-N 379.482 0.997 0 40 GCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)c3nc4ccccc4s3)cc2)c1=O 77100187 MWESLZKEFMSYRW-UHFFFAOYSA-N 395.404 0.776 0 40 GCAB COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]1N[C@H](C(=O)OC)C(C)(C)S1 96592329 FPWXVXUCFHACJJ-ZNMIVQPWSA-N 380.466 0.870 0 40 GCAB CC(C)CN(C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 101964816 XHNAXFQAOQRCGU-KFWWJZLASA-N 382.482 0.609 0 40 GCAB NC(=O)c1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225088542 ZGQUAAXDJOAHTA-UHFFFAOYSA-N 387.417 0.917 0 40 GCAB COc1cccc(CC(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c1 247531113 OSXSODWJGJNNPE-OAHLLOKOSA-N 378.454 0.567 0 40 GCAB O=S(=O)(NCC[C@@H]1CCOC12CN(c1ccc3nncn3n1)C2)C1CC1 306135610 OVXHOHFUMDTGRY-GFCCVEGCSA-N 378.458 0.192 0 40 GCAB C[C@@H]1CN(C(=O)NCc2cnn(CC(F)(F)F)c2)CCN1S(C)(=O)=O 660915105 XEVLHXNYYLBDRL-SNVBAGLBSA-N 383.396 0.621 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 1142529131 HMABFJPNFSSFBL-UHFFFAOYSA-N 378.458 0.452 0 40 GCAB Cc1cnnn1Cc1nnn2c1CN(C(=O)Cn1cc(Cl)cn1)CCC2 1565554753 ZFOKGRSFWXFTKY-UHFFFAOYSA-N 375.824 0.509 0 40 GCAB CS(=O)(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 1565555160 UVSQAYGJOWTSGG-JOCQHMNTSA-N 382.486 0.461 0 40 GCAB Cn1ccc2cc(C(=O)N3C[C@H]4OCCN(S(C)(=O)=O)C[C@H]4C3)ccc21 1614929236 GOEOZLWEIBSBDC-NVXWUHKLSA-N 377.466 0.911 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CCN1c1ncc(F)cn1 1775965878 NKGXTZWGIAPQDI-UHFFFAOYSA-N 378.385 0.588 0 40 GCAB COc1ccccc1S(=O)(=O)NCC1(OC)CCN(S(C)(=O)=O)CC1 1889218358 SUMUJEGIUWAVAE-UHFFFAOYSA-N 392.499 0.414 0 40 GCAB CN(C)S(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncc(F)cn3)C2)C1 2055803775 UKQAVKLXLIISIJ-CYBMUJFWSA-N 379.408 0.960 0 40 GCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@H]2SC1 2784993 DKRCWUMYQNGXNB-PRHODGIISA-N 390.343 0.811 0 40 GCAB COc1ccc(Cn2c(C)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 4314067 VWISDDRSVMVFKT-UHFFFAOYSA-N 397.435 0.897 0 40 GCAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cn1nnc2ccccc2c1=O 7007586 NFHVTPPQPJJROU-LJQANCHMSA-N 377.360 0.979 0 40 GCAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)CC(=O)NCc3ccco3)ccc21 7988224 SLMWKEZORJJDGF-UHFFFAOYSA-N 384.392 0.691 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(OC)OC)CC2)cc1 9304391 WSBTUYYWNVJGIE-UHFFFAOYSA-N 386.470 0.831 0 40 GCAB NC(=O)c1c(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)sc2c1CCCC2 11905807 QAXXIBSCQDYHEW-UHFFFAOYSA-N 381.439 0.228 0 40 GCAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 12883987 UNZWSBQGJWVESD-UHFFFAOYSA-N 382.467 0.515 0 40 GCAB COC(CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1)OC 13371927 SVKBTAKBNZWXIT-KBPBESRZSA-N 395.474 0.282 0 40 GCAB COCCN1C(=O)/C(=C\Nc2nc(CC(=O)OC)cs2)C(=O)NC1=S 16097459 KWDCBVKNYZBAIC-TWGQIWQCSA-N 384.439 0.044 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCN1CCOCC1 16291316 UPOXXNPIAQWILT-UHFFFAOYSA-N 385.486 0.073 0 40 GCAB CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 20719236 CICZPVHWWAAGOC-UHFFFAOYSA-N 397.482 0.049 0 40 GCAB O=C(N=c1[nH]c2ccccc2[nH]1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 22402979 ATUWXHHEBAFAIL-SNVBAGLBSA-N 375.410 0.089 0 40 GCAB CCS(=O)(=O)NCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 24588719 OUHDOLXYSAKYRJ-AWEZNQCLSA-N 382.486 0.986 0 40 GCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O 25448392 DIEYTPUNDHJPBM-IBGZPJMESA-N 392.500 0.858 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC2)cc1 32926211 NWFJUVARSFBXSB-CYBMUJFWSA-N 388.511 0.697 0 40 GCAB O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CCc3c(F)cccc32)CC1 56858217 IIBZYNDWURMDBA-GOSISDBHSA-N 390.459 0.999 0 40 GCAB COc1ccc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 95998981 UPONVIOPFZMVQY-QGZVFWFLSA-N 382.482 0.891 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccncc1 96220923 YWROZZVPISGEAN-HNNXBMFYSA-N 396.403 0.980 0 40 GCAB biogenic CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 101486769 VWGAURLPXKOXOZ-XUXIUFHCSA-N 380.378 0.104 0 40 GCAB O=C1CCCN1Cc1cn(C2CN(C(=O)[C@H]3COc4ccccc4O3)C2)nn1 225630752 HBBCJUWAHBNDFN-QGZVFWFLSA-N 383.408 0.624 0 40 GCAB Cn1cc(C(=O)N2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)cn1 248153508 VALDAEXGIRKBBT-AWEZNQCLSA-N 376.438 0.523 0 40 GCAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 260458077 XZFKAHCDASHHLZ-BBWFWOEESA-N 388.578 0.989 0 40 GCAB O=S(=O)(Nc1ccnnc1)c1cccc(S(=O)(=O)NC2CCOCC2)c1 585091376 TXJRGJPOZVRNGW-UHFFFAOYSA-N 398.466 0.735 0 40 GCAB CCOC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 604536457 POGWMDPVFYZRGI-ZDUSSCGKSA-N 390.483 0.566 0 40 GCAB O=C(O)COc1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 621539819 ZQWBXTNZHYOAOH-CQSZACIVSA-N 382.438 0.790 0 40 GCAB O=C(NC[C](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1 1560406759 XNHHIPLWEXSADI-UHFFFAOYSA-N 382.444 0.980 0 40 GCAB Cc1cccc(OC[C@@]2(O)CN(C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2O)c1 1615107911 ZZXJIDKDRVNDMH-OALUTQOASA-N 398.525 0.596 0 40 GCAB Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888921721 CGVOHBSWQOJVTK-STQMWFEESA-N 388.457 0.221 0 40 GCAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)CN2CCOCC2)CC1 2055745767 YXYZPEFPVNWTPP-UHFFFAOYSA-N 378.448 0.677 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2nccs2)CC1 2055746010 ZPUMAVNWFUVONW-UHFFFAOYSA-N 378.502 0.508 0 40 GCAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 3015871 BIFMVNXQODCOBC-UHFFFAOYSA-N 383.408 0.784 0 40 GCAB Cc1ccc(NC(=O)CSc2ncn[nH]2)c(S(=O)(=O)N2CCOCC2)c1 3240534 RCNQGLQSBGEYCT-UHFFFAOYSA-N 397.482 0.865 0 40 GCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 4884163 NUBVHDVGVPFZKT-KYZVSKTDSA-N 378.450 0.932 0 40 GCAB O=C(O[C@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5402727 PXPHJZKNDDKDFN-LBPRGKRZSA-N 389.813 0.833 0 40 GCAB CC(C)[C@H](OC(=O)CNC(=O)c1ccccc1OC(F)F)C(=O)NC(N)=O 5678528 NROUGTUQUNQCJP-LBPRGKRZSA-N 387.339 0.781 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1NCCO)[C@H]1CCS(=O)(=O)C1 7132374 BYFGBSNCKNHWEN-KGLIPLIRSA-N 398.481 0.672 0 40 GCAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)c1cccn1C 7782260 YJBJIHFQOZAPLC-HNNXBMFYSA-N 375.381 0.872 0 40 GCAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 8764756 TUEVYKDSDLPVBB-INIZCTEOSA-N 379.372 0.728 0 40 GCAB biogenic COCCCNC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12030950 VFHUHOVHJHILOE-LBPRGKRZSA-N 393.458 0.553 0 40 GCAB NC(=O)C1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 12296795 YUTDRMJBLJRCDB-UHFFFAOYSA-N 383.452 0.960 0 40 GCAB biogenic O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc[nH]c1=O 12627220 QIUGRRZXEYNDAZ-UHFFFAOYSA-N 391.449 0.467 0 40 GCAB O=C(CSc1cn[nH]n1)Nc1cccc(NC(=O)CSc2cn[nH]n2)n1 20479483 IQFVHABXIWZONO-UHFFFAOYSA-N 391.442 0.779 0 40 GCAB C[C@]1(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)CCS(=O)(=O)C1 36383945 PCNCYNQNNGQMCA-INIZCTEOSA-N 385.511 0.199 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 41167242 PGUVJHAAVXWBHU-CABCVRRESA-N 379.482 0.827 0 40 GCAB Cc1sc2ncn(CCC(=O)N[C@@H](C)C(=O)N3CCOCC3)c(=O)c2c1C 58152065 OQRWUBZZEFZHRD-LBPRGKRZSA-N 392.481 0.828 0 40 GCAB CN1C(=O)c2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2C1=O 58217149 ZHRZOKXLSLNZPA-NSHDSACASA-N 380.426 0.458 0 40 GCAB CCOc1cc([C@@H]2NC(=O)NC(CN3CCOCC3)=C2C(=O)OC)ccc1O 67285664 NWYSUDXVYVPPCC-KRWDZBQOSA-N 391.424 0.904 0 40 GCAB COc1ccc2cnn(CC(=O)N[C@H](CCSC)C(=O)O)c(=O)c2c1OC 71333651 YRUBKWJPSIDKAM-LLVKDONJSA-N 395.437 0.736 0 40 GCAB Cn1nc(-c2cccs2)cc1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097956 IINBALUNACRZNL-UHFFFAOYSA-N 396.436 0.716 0 40 GCAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 101014128 GWZKVOFSEDYVEX-PSASIEDQSA-N 381.142 0.833 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1 226035459 OYJDVJDXHQDZBL-UHFFFAOYSA-N 391.449 0.982 0 40 GCAB COc1ccc(OCc2cn(CC(=O)NCCN3CCOCC3)nn2)cc1 227162878 JWVNVZDTMVMBMO-UHFFFAOYSA-N 375.429 0.314 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2cccc3c2OCC3)CCN1C(=O)c1cnn(C)c1 516920242 IZATUCPNFJMBMF-ZDUSSCGKSA-N 390.465 0.890 0 40 GCAB Cc1noc(CN2CCCC[C@H](NS(=O)(=O)c3cncc(F)c3)C2=O)n1 585088428 APFBNZBKUICWGJ-ZDUSSCGKSA-N 383.405 0.772 0 40 GCAB CN(C)c1nccc([C@H]2CN(C(=O)CCn3cnc4c(N)ncnc43)CCO2)n1 613737284 JENABPVLFBLYKM-CYBMUJFWSA-N 397.443 0.255 0 40 GCAB C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)CCO1 1512453378 QIZPASUGZLFOQR-QWHCGFSZSA-N 378.477 0.617 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@]1(OCCO)CCSC1 1565520093 FJWNOXIAUITHHO-KRWDZBQOSA-N 382.438 0.032 0 40 GCAB COC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)CCN1C(=O)c1cccnc1 4270710 IFKMUTGKDFWYKR-ZDUSSCGKSA-N 395.462 0.831 0 40 GCAB biogenic,in-vitro Cc1cc(C)n2nc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)nc2n1 7975238 UKFQJYNNFIOPDB-UHFFFAOYSA-N 383.364 0.943 0 40 GCAB CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 8299085 SPBKBDMODIUIFB-OAGGEKHMSA-N 376.505 0.538 0 40 GCAB biogenic,in-vitro C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(CC(=O)NC4CC4)CC3)cc21 8342958 NGTLHGKXOQURBI-LBPRGKRZSA-N 392.481 0.327 0 40 GCAB COc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1OC 22695027 KZNKAZREWJDCCO-UHFFFAOYSA-N 377.441 0.749 0 40 GCAB Cc1ccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)c1 22785857 GXDPEYHQDDPQQT-UHFFFAOYSA-N 387.484 0.848 0 40 GCAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cnc3ccccn3c2=O)C1=O 48290521 QOEYJNYEXAVTFL-IBGZPJMESA-N 377.360 0.807 0 40 GCAB C[C@H](C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1Cc2ccccc2C1=O 80337973 REHJQCCFJKNWSU-ZBFHGGJFSA-N 391.493 0.362 0 40 GCAB OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 142857948 HSTZMXCBWJGKHG-MPASBQBUSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H](O)[C@H](n2cc(F)c(O)nc2=O)C1 257227561 FPXPLMNRAVEFBB-ZIAGYGMSSA-N 387.371 0.341 0 40 GCAB O=C(c1ccco1)N1CC[C@@]2(C1)Cn1c(nn(CC3CCC3)c(=O)c1=O)CO2 306135065 OGNFYDPYTCGJHL-LJQANCHMSA-N 386.408 0.613 0 40 GCAB CCNC(=O)[C@@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 306135508 OTKNEAWCVJLHEF-CYBMUJFWSA-N 385.472 0.712 0 40 GCAB Cc1ccc(S(=O)(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 575414353 GTMZRHIWQWDXHH-ZDUSSCGKSA-N 378.541 0.986 0 40 GCAB CNS(=O)(=O)/C=C/CNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 585146118 JBAZEVIEHZHLMA-WEVVVXLNSA-N 399.473 0.496 0 40 GCAB C[C@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)Cc1ccsc1 618256087 DBEJWCSAVNGEHK-MRXNPFEDSA-N 384.479 0.884 0 40 GCAB Cc1cc(NC(=O)CN2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2cnccn2)n(C)n1 1615610455 CZCCPVJAIDQPFZ-WTANOLMUSA-N 383.456 0.279 0 40 GCAB CN(C)C(=O)CN1C(=S)N(c2ccc(F)cc2F)[C@H]2CS(=O)(=O)C[C@H]21 8993469 ORBAPJAJRKTUMZ-OLZOCXBDSA-N 389.449 0.626 0 40 GCAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NC2=NCCS2)cc1 11544942 FEMQIIICSVNHEA-UHFFFAOYSA-N 377.455 0.774 0 40 GCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)Nc1ccc2c(c1)OCCO2 12389661 DFEBSYBKSRRLSW-UHFFFAOYSA-N 394.387 0.992 0 40 GCAB CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12971516 DMRJOSCPGWRXOT-UHFFFAOYSA-N 375.472 0.031 0 40 GCAB CNC(=O)CN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 14252660 YCNXFKRWZOHRMO-UHFFFAOYSA-N 397.375 0.458 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(OC)cc1 20636931 VIFHQHJEURAUFJ-HOTGVXAUSA-N 388.424 0.175 0 40 GCAB C[C@@H](NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccc(Br)cc1 95407439 UWFXGCSNFVYQEJ-MFKMUULPSA-N 395.257 0.862 0 40 GCAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@H]1CC(=O)NC1=O 100499312 XOTCDWIBWFJRPL-STQMWFEESA-N 378.381 0.786 0 40 GCAB Cc1cc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n([C@@H]2CCS(=O)(=O)C2)n1 105952534 BLERDMLVUNKPMO-BFQNTYOBSA-N 398.510 0.944 0 40 GCAB COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN(S(C)(=O)=O)C3)nc21 257342161 ZNJGAWXTKMNDNF-KRWDZBQOSA-N 382.486 0.634 0 40 GCAB Cc1nnc(N2CC3(C2)CN(CC2CC2)[C@@H](C(=O)N2CCCO2)CO3)s1 306138519 RZMKBFBGCYZKGX-CQSZACIVSA-N 379.486 0.680 0 40 GCAB CN1CCO[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@H]21 568671229 ZNTZDXWOBQSDLZ-HZPDHXFCSA-N 382.486 0.079 0 40 GCAB CNC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CN1CC1CC1 575406233 WEGJWUHKWSKWMX-WMZOPIPTSA-N 385.464 0.428 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)N[C@@H](CO)c2sccc2C)[C@H]1c1cnn(C)c1 613214239 BUTYVWYRCACEAH-IMJJTQAJSA-N 392.481 0.928 0 40 GCAB CC(C)n1cc(C2=CCCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)nn1 615816727 CJCLNNJCEPPKOM-OAHLLOKOSA-N 396.517 0.780 0 40 GCAB CNC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1cccc2c1OC(F)(F)O2 643821570 XBFRFXSSPVAJQL-NSHDSACASA-N 376.381 0.743 0 40 GCAB NC(=O)c1cc(OC2CN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2)ccn1 1889186987 PCPXGINFMHHANA-ZDUSSCGKSA-N 380.404 0.823 0 40 GCAB CN(C)c1ccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)nn1 2086887032 RWUWHMVTHLREJI-UHFFFAOYSA-N 380.452 0.961 0 40 GCAB CC(C)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)O 4025664 CZUIZHWORLDXSN-DZGCQCFKSA-N 379.413 0.772 0 40 GCAB biogenic OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(OCc1ccccc1)OCc1ccccc1 5699607 YMTLBGVCGZMOLY-MKXGPGLRSA-N 378.421 0.182 0 40 GCAB Cn1c(=O)c2c(nc(NN)n2Cc2ccc(Br)cc2)n(C)c1=O 12558822 AQKNLSAAQUSKGP-UHFFFAOYSA-N 379.218 0.530 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1 12622766 MOKDHVNBLNIYAU-LLVKDONJSA-N 391.243 0.501 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CN3CSCC3=O)CC2)cc1 12775847 BOWDBDCCMVFTCL-UHFFFAOYSA-N 397.522 0.797 0 40 GCAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961019 VWNMWZVTAUNPAJ-GFCCVEGCSA-N 387.371 0.810 0 40 GCAB NC(=O)NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399334 JQFGILJZVQZXCH-MRVPVSSYSA-N 376.760 0.788 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 68518228 AQVRKGLSLJLMFN-LBPRGKRZSA-N 375.878 0.455 0 40 GCAB CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)C1 285311108 DVMXHSMVZIRVEY-GFCCVEGCSA-N 394.446 0.568 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1 408601383 GFUHPWWKJFQMOV-AWEZNQCLSA-N 385.486 0.201 0 40 GCAB CCc1nnc(SCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)OC)n1N 409001377 IBTSCCLPCBWGMQ-GFCCVEGCSA-N 379.442 0.253 0 40 GCAB Cn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)cn1 521396719 WYQUZJMBKOKTGZ-ZDUSSCGKSA-N 380.474 0.125 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 575615640 IPJNUKZHVHNMJS-UHFFFAOYSA-N 383.499 0.940 0 40 GCAB COCC(=O)N[C@@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)C[C@H]1O 585271721 GTMCTWLSALNGOZ-WOJBJXKFSA-N 391.512 0.859 0 40 GCAB CC(C)N1C[C@]23CN(C(=O)c4cc(C5CC5)on4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565544768 QOTAPDWUJPDGCK-ISTRZQFTSA-N 381.454 0.958 0 40 GCAB O=C(CN1C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc21)N1CCOCC1 12113145 RMCOKWPHQYJYDW-CQSZACIVSA-N 379.438 0.045 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)OCCNC(C)=O)CC2)cc1 12683604 VHZLSYQDWYVXHI-UHFFFAOYSA-N 384.454 0.775 0 40 GCAB COc1cc2c(cc1OC)CN1C(=O)N(CCC(=O)NCCCO)C(=O)[C@@H]1C2 12901336 GZFFLRUQTCJFGE-AWEZNQCLSA-N 391.424 0.281 0 40 GCAB biogenic COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1 13116307 GWRRNEUQYSBJOW-UHFFFAOYSA-N 387.440 0.939 0 40 GCAB C[C@H](Sc1nnnn1C1CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 16245621 XUFNZMXGMFEVBX-JTQLQIEISA-N 396.498 0.495 0 40 GCAB Cc1cccc2c3c([nH]c12)CCN(C(=O)CCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21)C3 19236560 FHEDBOLXJUSYKU-DLBZAZTESA-N 382.424 0.741 0 40 GCAB Cn1ccnc1CN1CCC(C(=O)NCc2cccnc2-n2cncn2)CC1 53188274 AOXNWGNBSAIYDT-UHFFFAOYSA-N 380.456 0.924 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCCn1nnn(-c2cccs2)c1=O 72341039 IJMDNCOPCAFSNJ-UHFFFAOYSA-N 397.420 0.017 0 40 GCAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(c2ccccn2)CC1 79488143 TWOMPDHOFGKKJZ-UHFFFAOYSA-N 399.495 0.640 0 40 GCAB CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 222559043 TYKLPBLEGUFUCU-GFCCVEGCSA-N 389.499 0.513 0 40 GCAB Cn1cc(-c2noc(CNC(=O)CCn3cnc4ccccc4c3=O)n2)cn1 390829617 FKKZKPRQRUDFRW-UHFFFAOYSA-N 379.380 0.887 0 40 GCAB CN1c2ccccc2N(C2CCN(C(=O)c3cn(C)nn3)CC2)S1(=O)=O 390830969 ORDFRTBWDGNUQX-UHFFFAOYSA-N 376.442 0.621 0 40 GCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1 514288369 BIAUJNOWVGTVNC-OKZBNKHCSA-N 379.432 0.238 0 40 GCAB biogenic,in-vitro Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575616030 NSQAMZGFQLDYMS-UHFFFAOYSA-N 393.506 0.931 0 40 GCAB Cc1ccc(OC[C@@]2(O)CN(C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2O)cc1 585283054 PAHOHBZTQFPIGY-OALUTQOASA-N 398.525 0.596 0 40 GCAB CS(=O)(=O)/C=C/CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 618254345 ZEKWENIOFNBJRM-WLRTZDKTSA-N 386.495 0.762 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(F)s2)CCO1 663025785 LAILYUSXIUKTHQ-SECBINFHSA-N 380.419 0.074 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C[C@H](Cn3cnnc3)CO2)C1 1565547457 JGLUKVCMCKLVAU-KDOFPFPSSA-N 375.404 0.689 0 40 GCAB Cc1csc(C(=O)N2C[C@H]3C[C@H]4[C@@](C2)(CN(CCN(C)C)S4(=O)=O)O3)c1 1565550417 CNPJNDQUDYXCBB-UKPHBRMFSA-N 399.538 0.616 0 40 GCAB Cn1cc(-c2cnc(OC3CCN(c4cc(=O)n(C)c(=O)n4C)CC3)nc2)cn1 1889149327 ZVKDMBANYMXHMX-UHFFFAOYSA-N 397.439 0.322 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)COc2ccc3ccccc3c2)c(=O)n(C)c1=O 3361415 XOXWHWOEAMQRKI-UHFFFAOYSA-N 397.387 0.624 0 40 GCAB COCCOCCOCCOCCOCCOCCOCCOCCOC 5997861 HKKZPBCWTDFVFB-UHFFFAOYSA-N 398.493 0.395 0 40 GCAB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 10432369 TWJCSDWWPHUVJE-UHFFFAOYSA-N 387.396 0.438 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cnccn2)CC1 11086907 SKNRIPXSRRVBLW-UHFFFAOYSA-N 377.426 0.095 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ncccn1 11906345 QTYBKZQVQKIUKI-UHFFFAOYSA-N 398.422 0.353 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc(CC(N)=O)cs2)cc1 12887857 GGARBFVCDBEBPJ-UHFFFAOYSA-N 382.467 0.739 0 40 GCAB O=C(CNS(=O)(=O)Cc1ccccc1)N1CCN(c2ncccn2)CC1 12905873 SZKPAIPVACCQOH-UHFFFAOYSA-N 375.454 0.245 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2CCO[C@H](C(=O)N3CCc4ccccc4C3)C2)n1 19747782 MWGSQBJLTNBHFS-SFHVURJKSA-N 396.447 0.364 0 40 GCAB Cc1cc(C(=O)COC(=O)CC[C@H]2NC(=O)NC2=O)c(C)n1C[C@@H]1CCCO1 25255482 RUEURWYWFHUURI-DZGCQCFKSA-N 391.424 0.998 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1 25290959 DKOBGOOATNHEDH-UHFFFAOYSA-N 390.465 0.756 0 40 GCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 28026421 XQVOITKYTKEIHB-DOMZBBRYSA-N 379.438 0.619 0 40 GCAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32768139 QIZKIRTUILVRDY-UHFFFAOYSA-N 379.438 0.974 0 40 GCAB C[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 32929924 CSVFALRLWXDRMK-CYBMUJFWSA-N 393.465 0.046 0 40 GCAB CS(=O)(=O)NCC1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 36709702 XITZMLKMTDRRRS-UHFFFAOYSA-N 397.497 0.920 0 40 GCAB Cn1c(-c2ccccn2)nn(CCNC(=O)[C@@H]2COc3ccccc3O2)c1=O 38533305 RYJNCXIDPKSLTL-INIZCTEOSA-N 381.392 0.600 0 40 GCAB CN(CC(=O)NCCCCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 40121360 ZXMPDTMMXBFIIR-UHFFFAOYSA-N 387.477 0.675 0 40 GCAB O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1 70655896 HTSSHVAWARQAMI-UHFFFAOYSA-N 389.375 0.818 0 40 GCAB Cn1cc(C(=O)N2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cn1 72374613 KHGRDZVHCPNKIK-OAHLLOKOSA-N 382.424 0.733 0 40 GCAB COc1cc(Br)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cc1OC 95454475 OZZQALDIKTUUOU-RKDXNWHRSA-N 396.259 0.583 0 40 GCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CCNS(=O)(=O)CC)C1 253490294 IBNOKLQJSBFEED-CQSZACIVSA-N 378.520 0.004 0 40 GCAB O=S(=O)(N1CCOCC1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888903784 BCEXFGOEPMAUSF-BBRMVZONSA-N 386.449 0.674 0 40 GCAB CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@@]4(C)CC=CCC4)C[C@@H](O3)[C@H]2S1(=O)=O 2055745741 XNXXGTUFXQUHAB-RXYDEIHYSA-N 397.541 0.534 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)cn23)n(C)c1=O 4314241 MUWWIBSOZOVVNQ-GFCCVEGCSA-N 389.412 0.200 0 40 GCAB CCn1cnc2c1c(=O)n(CC(=O)N1CCOCC1)c(=O)n2Cc1ccccc1 6187385 XCHNWGMQFRVESM-UHFFFAOYSA-N 397.435 0.287 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 8040277 BKIPSSFKMKPRQJ-QGZVFWFLSA-N 394.453 0.836 0 40 GCAB CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12187878 RPUBGARDUAGAMD-NSHDSACASA-N 388.467 0.981 0 40 GCAB CCn1nnc2c(N3CCN(CC(=O)NCc4ccc(C)cc4)CC3)ncnc21 13534268 CXKUCXANSBQYST-UHFFFAOYSA-N 394.483 0.988 0 40 GCAB O=C(CCCN1C(=O)CNC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14170824 SUHPCDFFAAIEQR-UHFFFAOYSA-N 388.424 0.392 0 40 GCAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCN1CCOCC1 16428886 YKFOGVQQMFJDMZ-UHFFFAOYSA-N 397.497 0.298 0 40 GCAB Cc1ccc(NC(=O)Cn2ccccc2=O)cc1S(=O)(=O)N1CCOCC1 17477475 FAHZBIUNIUCVOA-UHFFFAOYSA-N 391.449 0.816 0 40 GCAB COCCNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19593480 BLWAMVIBHWUCEM-LJQANCHMSA-N 375.425 0.323 0 40 GCAB Cc1ccc(C)c(Cn2c(N3CCNCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 62720584 AYQGKRDHARLFHE-UHFFFAOYSA-N 382.468 0.508 0 40 GCAB COCCN1[C@H]2CCN(CC(=O)OC)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263917 OIWQOMIMUYHAFY-GJZGRUSLSA-N 398.481 0.722 0 40 GCAB C[C@@H](C(=O)OCc1nc(N)nc(N(C)C)n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102431459 QHAUOQNOGYAOOT-GARJFASQSA-N 376.417 0.127 0 40 GCAB Cn1cccc1C(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 248101843 DYVZZMQDFXNDER-ZDUSSCGKSA-N 376.438 0.523 0 40 GCAB O=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1ccc(-n2cccn2)cc1 390830291 JZWLMOVSAXVHBL-UHFFFAOYSA-N 397.416 0.842 0 40 GCAB O=C(CN1CCN(c2cncc(F)c2)CC1)N1CCN(c2cnccn2)CC1 572879098 PPFJRUVBEMFOCQ-UHFFFAOYSA-N 385.447 0.482 0 40 GCAB CN1CCC2(CCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2CNC(=O)N(C)C)CC1 1565548270 AJAINIRPAMODEC-VVLHAWIVSA-N 378.517 0.853 0 40 GCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 4165918 ZANRFFBHSBCJMA-UHFFFAOYSA-N 389.799 0.915 0 40 GCAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cc(OC)ccc1OC)C1=C(COC1=O)N2 4495941 QQMGVUPFGDNXSS-CYBMUJFWSA-N 385.376 0.942 0 40 GCAB COc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)N1CCOCC1 8091787 UFWBWYPIJRHJFQ-UHFFFAOYSA-N 393.509 0.856 0 40 GCAB CCN1C(=O)NC2(CCN(CC(=O)Nc3ccc(C(=O)OC)cc3)CC2)C1=O 9660769 PFRDLLCEIBJPCO-UHFFFAOYSA-N 388.424 0.818 0 40 GCAB CN(C)S(=O)(=O)c1ccc(OCCn2cnc3c(cnn3C)c2=O)cc1 12799526 JWJUXPWBESUVEN-UHFFFAOYSA-N 377.426 0.459 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCS(=O)(=O)CC[C@@]56[C@H]2[C@@H]43 104287481 FGRJPSMYCYTGIC-ZOHDJHSCSA-N 397.456 0.597 0 40 GCAB OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 169302857 HSTZMXCBWJGKHG-NWOWBUBYSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro NC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 223158532 NHSXSBOPDAWHAP-UHFFFAOYSA-N 395.466 0.676 0 40 GCAB CN(CC(F)(F)F)C(=O)Cn1cnc2ccc(S(C)(=O)=O)cc2c1=O 570246764 AUPVKARNFCANRY-UHFFFAOYSA-N 377.344 0.821 0 40 GCAB CC(C)(C)[C@H](NC(N)=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 617418659 AIRJATRMWUWCHE-QLFBSQMISA-N 386.452 0.713 0 40 GCAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)Cn1ccnn1 1637559600 IREMDFIPCBYKNV-CRAIPNDOSA-N 398.467 0.620 0 40 GCAB O=C(c1ccc(F)c(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243158 NNEHWVHSDZUGNN-LBPRGKRZSA-N 398.391 0.265 0 40 GCAB C[C@H](O)CNC(=O)CSc1nc2ccccc2n1CC(=O)NC[C@@H](C)O 5387147 RRKZMYXJSCTDTM-NEPJUHHUSA-N 380.470 0.122 0 40 GCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 6509030 JIDWOHBZFGKUKO-UHFFFAOYSA-N 385.376 0.706 0 40 GCAB C[C@H](NC(=O)c1ccnn1C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366295 GHDPLQNWUAQKSF-HOCLYGCPSA-N 385.468 0.890 0 40 GCAB Cc1csc(NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)n1 20554961 KDWQRQVVPYWRGC-UHFFFAOYSA-N 380.455 0.466 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)CC2)N1 21473319 DZCCTZNTXIPPMB-HNNXBMFYSA-N 384.436 0.278 0 40 GCAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(N)=O)c1 24240926 UKSGAEASMJIPTM-UHFFFAOYSA-N 383.451 0.837 0 40 GCAB CCOC(=O)C(NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)OCC 25987942 YJTLEJOCKSXVFY-UHFFFAOYSA-N 375.381 0.316 0 40 GCAB O=C(CN1CCN(C(=O)C2CC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 35286990 LODLBTXXMODQOM-UHFFFAOYSA-N 388.424 0.660 0 40 GCAB CCN(CC(=O)NC)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 40118817 FZJMFMJEXZZFNC-ZIAGYGMSSA-N 397.497 0.693 0 40 GCAB CCOC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 57327850 IVMIBAFZHNOINQ-AWEZNQCLSA-N 395.481 0.684 0 40 GCAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@]12Cc1ccccc1C(=O)N2 72334493 CFWQFAIQINSGTQ-GSHUGGBRSA-N 398.507 0.836 0 40 GCAB O=C(Cn1ncc2ccccc2c1=O)NCCn1nnn(-c2cccs2)c1=O 72341029 DRQQQFRGYFHAKC-UHFFFAOYSA-N 397.420 0.017 0 40 GCAB O=C(/C=C/c1cncc(F)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998952 HNZNEVMFZQVFQA-CWDCEQMOSA-N 383.445 0.887 0 40 GCAB CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)O)CO[C@H]12 253388182 RQVIOHJGPCAFPM-SYFCGACRSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc(C(=O)O)c3)CCO2)n1 577865148 JXDHHCCSFQQVFH-CQSZACIVSA-N 380.426 0.683 0 40 GCAB CCOc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1OCCN1CCOCC1 585272181 JLWLBLBJMIOZMQ-OALUTQOASA-N 393.528 0.903 0 40 GCAB COCCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2ccc(F)cc2)no1 1775964220 XHUZZNOZFBUYFS-ZDUSSCGKSA-N 398.416 0.997 0 40 GCAB biogenic,in-vitro CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(O)cc2)c(=O)n(C)c1=O 2630110 XJVCPRWKDHVMMD-UHFFFAOYSA-N 375.381 0.531 0 40 GCAB COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)c1 5251897 AFMXJJFDKQSXOQ-NSHDSACASA-N 399.407 0.778 0 40 GCAB CN(C)c1cccc2c(S(=O)(=O)n3cnc4c(=O)[nH]c(=O)[nH]c43)cccc12 5611281 WTDCSQNCPOGRFJ-UHFFFAOYSA-N 385.405 0.869 0 40 GCAB CCN(C(=O)COC(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCS(=O)(=O)C1 6144842 IEZZAXZEKUHEEJ-LBPRGKRZSA-N 393.417 0.985 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)c1ccccc1NCCO)[C@@H]1CCS(=O)(=O)C1 7132380 BYFGBSNCKNHWEN-UONOGXRCSA-N 398.481 0.672 0 40 GCAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 7262460 RYWLEJPCLGNMIS-ZDUSSCGKSA-N 381.429 0.984 0 40 GCAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCOC3=O)c2)C[C@@H](C)O1 7562193 AJZNPYAUOHWYHG-LALPHHSUSA-N 383.422 0.957 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1 7949591 JTZREVBFNQADDJ-UHFFFAOYSA-N 376.438 0.533 0 40 GCAB COc1ccc(-c2noc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c(OC)c1 9646801 HEHNPNOVXGXMTR-UHFFFAOYSA-N 398.379 0.549 0 40 GCAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 9939446 ULDZFQWNCWGFPE-RISCZKNCSA-N 380.422 0.950 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](C)NC(N)=O)CC2)cc1 11192133 ZUNFJYGHEHPVDB-NSHDSACASA-N 384.458 0.021 0 40 GCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cscn3)C2)nn1 12141949 IYNUQPSAFQWRNV-GFCCVEGCSA-N 378.458 0.663 0 40 GCAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(c2ncccn2)CC1 13040349 ZMCDBXPEXFXGQA-UHFFFAOYSA-N 382.468 0.970 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccccc2OC)n(C)c1=O 13540147 RSLQKPBFGMIRQQ-UHFFFAOYSA-N 385.380 0.230 0 40 GCAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 15957971 ZSFRKRFMTUJCFH-YXXDKOBPSA-N 391.427 0.988 0 40 GCAB biogenic CN1CCN(N2CN(CCN3CCOCC3)c3nc4ccccc4n3C2)CC1 19172400 LLUICSVPAFVUNS-UHFFFAOYSA-N 385.516 0.568 0 40 GCAB COC(=O)[C@H](CN1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H](O)c1ccncc1 22922021 JMTXEBRTWXUXRZ-AEFFLSMTSA-N 392.500 0.437 0 40 GCAB Cc1cccc2c(=O)n(CCC(=O)N3CCCN(S(C)(=O)=O)CC3)cnc12 24780783 FNPYZTARXRSJFW-UHFFFAOYSA-N 392.481 0.589 0 40 GCAB O=C(Cn1ccc(=O)[nH]c1=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 48236378 IGIOHFMGKIDGDT-UHFFFAOYSA-N 385.420 0.936 0 40 GCAB O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCN(C(=O)C2CC2)CC1 48279448 QRCAGYJPEZECSU-UHFFFAOYSA-N 394.431 0.705 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2)C(=O)O)CC1 61720047 QOVNOOYJYIQFIX-HNNXBMFYSA-N 376.457 0.422 0 40 GCAB Cn1cc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1C(N)=O 62581801 IUZRDAMDPKZGMO-UHFFFAOYSA-N 382.417 0.901 0 40 GCAB O=C(CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1cccc(Br)c1 79023223 IEZFQHAFUYIHGN-CYBMUJFWSA-N 395.257 0.420 0 40 GCAB CS(=O)(=O)N1CCN(Cc2c(O)c(CN3CCCCCC3)coc2=O)CC1 79492973 LQNXJWLQQYITKQ-UHFFFAOYSA-N 399.513 0.799 0 40 GCAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)CS2 90609570 ZIXPTCIDMBUBKD-JTQLQIEISA-N 380.451 0.560 0 40 GCAB COC(=O)C1(C(=O)OC)O[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 104243345 BABFQGSVMPHVNB-AGIUHOORSA-N 377.349 0.082 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 105354288 QVYSYXNAPWSMPT-FMAVKZBASA-N 375.400 0.727 0 40 GCAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904972 REGOGKRMQHJKRS-INIZCTEOSA-N 393.407 0.546 0 40 GCAB COc1ccc([C@H](CC(=O)NCCN2CCOCC2)NS(C)(=O)=O)cc1 225957730 GPXPHCZLYGRFAM-INIZCTEOSA-N 385.486 0.124 0 40 GCAB CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 257202146 AKROBYLUKUOLEC-HXUWFJFHSA-N 391.516 0.477 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)c2ccccc2F)nc(N2CCOCC2)n1 575608757 YEBRJXXCQCASFH-UHFFFAOYSA-N 396.448 0.392 0 40 GCAB Cc1ccnc(N2C[C@H]3CN(C(=O)[C@H]4CC(=O)N(C5CCOCC5)C4)C[C@H]3C2)n1 1888849967 YNDWRAXFHXWLQR-YESZJQIVSA-N 399.495 0.707 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889149390 IFFKOWXQOKCJGT-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@H](O)[C@@H]1O 2149682 NLRXQZJJCPRATR-OTJKEOIZSA-N 385.210 0.781 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1 2803362 SKIYJJJJQRVXNW-UHFFFAOYSA-N 376.485 0.177 0 40 GCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@H](C)O 4760635 LSGQBKXSCAVGDH-YUTCNCBUSA-N 384.454 0.985 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nnnn2C)c1 10089499 XAIFITGQDNTOSZ-UHFFFAOYSA-N 388.409 0.785 0 40 GCAB OCC(CO)(CO)NC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421988 JNTURZSSRWZGQN-CYBMUJFWSA-N 382.888 0.840 0 40 GCAB CCN(C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1CCS(=O)(=O)C1 12884081 YBQPUUYOCJELMH-AWEZNQCLSA-N 394.449 0.764 0 40 GCAB O=C(O)c1ccccc1N[C@@H]1SC(=O)N(CCN2C(=O)CCC2=O)C1=O 14904408 YNBBYHGXEYMRKZ-CYBMUJFWSA-N 377.378 0.967 0 40 GCAB COc1ccc(N([C@@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 20567886 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C[C@H](NC(=O)[C@@H](C)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)cc1 78970396 GNFKUMXVVLAIHM-UONOGXRCSA-N 386.493 0.298 0 40 GCAB COC(=O)C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCO1 79019750 ZFFIVCIFZSPWRD-SECBINFHSA-N 389.202 0.562 0 40 GCAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)CS2 90609571 ZIXPTCIDMBUBKD-SNVBAGLBSA-N 380.451 0.560 0 40 GCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(CCCO)CC2)c1 95461854 DSLZRHMXAQHTIB-UHFFFAOYSA-N 396.918 0.432 0 40 GCAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn23)C1 96267625 HVDOTEVMRHPPAR-HOCLYGCPSA-N 399.499 0.976 0 40 GCAB COc1ccccc1NC(=O)CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 100982999 NLCGPNVFKHAHGY-UHFFFAOYSA-N 375.410 0.700 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)NCCn1nnc2ccccc2c1=O 225796766 OATSHMAWBTZESA-UHFFFAOYSA-N 390.403 0.708 0 40 GCAB O=C(NCC(=O)N1CCN(C2CCS(=O)(=O)CC2)CC1)c1ccccc1 225810865 ZIZZXZRNKQDADG-UHFFFAOYSA-N 379.482 0.138 0 40 GCAB COc1cc(N2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)ncn1 247867302 BHKRTNDUZBLNGJ-CYBMUJFWSA-N 376.438 0.953 0 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CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1ccccc1F 222657559 OYWZMHLSPXIWLZ-UHFFFAOYSA-N 387.477 0.820 0 40 GCAB O=C(O)CC1(CC(=O)N[C@H]2CCC[C@H](n3ccc(O)nc3=O)[C@H]2O)CCCC1 257310026 UDKIITMHHMZKRG-DCGLDWPTSA-N 393.440 0.945 0 40 GCAB Cc1nc(CCNC(=O)C[C@@H]2OC[C@H]3CN(Cc4cncn4C)CC[C@@H]23)no1 1565543514 IUBDERBOEBVPNS-OIISXLGYSA-N 388.472 0.697 0 40 GCAB CN1C[C@]23CN(C(=O)c4cn5cc(Cl)ccc5n4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565553112 KVPRQJDDFHWQHT-FFSVYQOJSA-N 396.856 0.615 0 40 GCAB CCN1C(=O)[C@]2(C(C(=O)OC)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 4939449 MYMKPTFMECXNRN-FQEVSTJZSA-N 398.371 0.520 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)CSc2ccccn2)c(=O)[nH]c1=O 7699711 AFHRWJFFRRYMTI-UHFFFAOYSA-N 393.469 0.696 0 40 GCAB CN1CCN(C(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)CC1 19588382 TWLFQFGMBGDXEX-UHFFFAOYSA-N 386.496 0.760 0 40 GCAB CCOc1cccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 22401872 LEJUERXIJXAHNN-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB O=C(Cc1ccccc1)NCCC(=O)N1CSC[C@@H]1C(=O)N1CCOCC1 25044014 RYUPRPCZJBBORZ-MRXNPFEDSA-N 391.493 0.496 0 40 GCAB COc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 26972588 OVCKDDKXWHBQFP-UHFFFAOYSA-N 392.799 0.987 0 40 GCAB CCOC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 35587985 TZSZJYCCTLOJKT-UHFFFAOYSA-N 396.465 0.898 0 40 GCAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 36390167 CNNZBLUJIMMRQN-QGZVFWFLSA-N 386.496 0.441 0 40 GCAB CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 58325602 PRQAJGFBCBBSRZ-KRWDZBQOSA-N 375.469 0.882 0 40 GCAB COc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)C(C)(C)N=C2O)CC1 71282610 RFORDMJRDZVYAP-CQSZACIVSA-N 376.457 0.713 0 40 GCAB COCC(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@H](C)C3)ncc1CS2(=O)=O 96252020 RNTJVWJJHXNCCP-AEGPPILISA-N 394.497 0.582 0 40 GCAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 96380257 OYMGUQQYLWCUMY-UHFFFAOYSA-N 375.468 0.902 0 40 GCAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1nnc2ccc(N3CCCC3)nn12 240068177 SLYWFOQSAMIJKD-UHFFFAOYSA-N 394.439 0.475 0 40 GCAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O 247969897 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COCCCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 4569043 BJOGPPTZCRINMZ-AWEZNQCLSA-N 383.470 0.109 0 40 GCAB CC(C)c1cc(C(=O)N[C@@H](C)CN2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 19714545 QQWHXZYCRZUPDW-LBPRGKRZSA-N 389.456 0.196 0 40 GCAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 27565699 IBFNQIHWARKAFP-OAHLLOKOSA-N 382.486 0.428 0 40 GCAB Cn1nc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c2ccccc2c1=O 32885742 KBNHXYVRYDLTTD-CQSZACIVSA-N 384.436 0.645 0 40 GCAB CN(Cc1ccc(F)cc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 36768338 GCHAEYWMBDUADX-AWEZNQCLSA-N 381.429 0.950 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)NC1Cc2ccccc2C1 40283221 SUWBCUOLQYIPBV-UHFFFAOYSA-N 376.416 0.796 0 40 GCAB CN1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 95984111 SOGIMEKAAFVFBH-CYBMUJFWSA-N 396.918 0.494 0 40 GCAB O=C(NCCN1CCOCC1)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1 96225689 IMDGXVHKOFBLBX-QGZVFWFLSA-N 379.486 0.312 0 40 GCAB COc1ccc(-c2nnc(S[C@@H]3CCS(=O)(=O)C3)n(N)c2=O)cc1OC 217376976 UOZKXZAIJVNXFH-SNVBAGLBSA-N 398.466 0.316 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 225003763 UFOCDGCUJMGRLG-OAHLLOKOSA-N 396.513 0.980 0 40 GCAB COc1nccnc1O[C@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 225807922 WTJAFBLWWAMQOU-ZDUSSCGKSA-N 384.458 0.137 0 40 GCAB C[C@@]1(O)CCN(C(=O)CC2(CC(=O)O)CCCC2)C[C@H]1n1ccc(O)nc1=O 257271390 MYBUDHCUNDVNMV-FZKQIMNGSA-N 393.440 0.899 0 40 GCAB Cc1cnc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 306141218 VOOCXMSYWUPVKR-KBPBESRZSA-N 382.424 0.173 0 40 GCAB CC(C)CCC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NCC1CCOCC1)CO2 575406665 ZPVQAFHYMZGKPU-KRWDZBQOSA-N 381.517 0.877 0 40 GCAB O=C(O)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575424859 BSKIDTLYAFKRGR-GFCCVEGCSA-N 384.435 0.497 0 40 GCAB Cn1c(C(F)(F)F)nn(C2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c1=O 575615971 METSINZXFFIHTO-LBPRGKRZSA-N 391.394 0.533 0 40 GCAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cn(C)nc3C)cc2NC1=O 585282143 YEQVIUDDZVDPRP-ZDUSSCGKSA-N 378.410 0.957 0 40 GCAB CC(C)CN(CCCO)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585291098 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O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19340300 VPDCRULVHQKJAZ-KGLIPLIRSA-N 388.449 0.583 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)c(C)c1 20046346 OCCUASGDHYLDTP-UHFFFAOYSA-N 383.514 0.681 0 40 GCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 23040301 UNLIBQKQFSACSA-HNNXBMFYSA-N 386.495 0.095 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 24226270 QBFJRRZERQSFLA-CYBMUJFWSA-N 375.454 0.436 0 40 GCAB CCOC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 33040203 ZGCKSLNXXHPDRD-GFCCVEGCSA-N 383.470 0.936 0 40 GCAB COc1ccc(OC)c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 35884168 FDBZHTQAEULYGP-KRWDZBQOSA-N 377.441 0.966 0 40 GCAB C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O 40024628 IUWDLJSKZJGCCU-LBPRGKRZSA-N 389.433 0.764 0 40 GCAB Cc1c(C(=O)N(C)CCN2CCOCC2)nnn1-c1ccc2c(c1)OCCO2 67151923 IGJHASPDDZCSPS-UHFFFAOYSA-N 387.440 0.751 0 40 GCAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)CN3CCOCC3)CC2)n1 72337131 UGGLAORMSHQMPA-UHFFFAOYSA-N 389.500 0.660 0 40 GCAB COC(=O)c1cnc(N2CCN(C(C)=O)CC2)cc1N1CCN(C(C)=O)CC1 89954530 PDXGIZQYINYQED-UHFFFAOYSA-N 389.456 0.205 0 40 GCAB CN(C)CCNc1c(NC[C@@H](c2ccccc2)N2CCN(C)CC2)c(=O)c1=O 101697180 GOGLKNHVNXMXEN-KRWDZBQOSA-N 385.512 0.657 0 40 GCAB CC(C)CCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103067513 UOLFXOWAJHEKHJ-STQMWFEESA-N 381.429 0.577 0 40 GCAB COc1ccc(C(=O)NCCSc2ncn[nH]2)cc1S(=O)(=O)N(C)C 222909938 VBZQNGOYPMWHFD-UHFFFAOYSA-N 385.471 0.586 0 40 GCAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 575424039 JPKKXFJIIXJHSZ-VXGBXAGGSA-N 396.874 0.530 0 40 GCAB N[C@@H]1CCCCN(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1=O 643727767 KSISDVKBGXJFQS-XMTFNYHQSA-N 384.480 0.599 0 40 GCAB CN1CCN(C[C@H]2CC[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)O2)CC1 2055795718 JLPYVXQMQOBKFP-YLJYHZDGSA-N 381.517 0.316 0 40 GCAB CSc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 1704313 IRFZERSLBNKSOA-CIPNSKCISA-N 376.232 0.527 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1OC 10157517 PPHVVEQAOZKDNK-CVEARBPZSA-N 388.424 0.175 0 40 GCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3scnc3C)C2)nn1 12141951 ZKTBINRJWBOYMV-CYBMUJFWSA-N 392.485 0.972 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 12907927 GOAVGKBCVATAMI-UHFFFAOYSA-N 394.453 0.740 0 40 GCAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc3nncn3n2)CC1 13700257 PUUZVTBXKMGQBB-CYBMUJFWSA-N 396.407 0.969 0 40 GCAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 14242463 WACLGFMIGIBAHX-UHFFFAOYSA-N 375.454 0.624 0 40 GCAB O=C(c1cnc(N2CCOCC2)nc1)N1CCC(CCN2CCOCC2)CC1 19657110 PSKYSUPGBSSHBO-UHFFFAOYSA-N 389.500 0.888 0 40 GCAB CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(=O)OCC)CC3)[nH]c(=O)c21 19821419 SNEMOLSEIKUAJX-NSHDSACASA-N 391.428 0.111 0 40 GCAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 22933383 NXBMVOSXKKYLKT-GJZGRUSLSA-N 390.536 0.599 0 40 GCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1C 28209792 LGLMMIMXCGZVFP-DZGCQCFKSA-N 396.465 0.979 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)ncnc21 40040045 CEEOVODXVVYXBH-UHFFFAOYSA-N 389.423 0.906 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCn3cccn3)CC2)cc1 62021999 APFLURQJNSCSTL-UHFFFAOYSA-N 391.497 0.591 0 40 GCAB CCCCCCn1c(N2CCN(C(C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260140 LMTPEVWPAYKESK-UHFFFAOYSA-N 376.461 0.672 0 40 GCAB CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)C(C)C)C[C@]12Cc1ccccc1C(=O)N2 72334466 IMXJJDPOLCXBFO-QFBILLFUSA-N 393.509 0.906 0 40 GCAB COc1ccccc1CCNC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 95347397 KAZPLBKVFBERGA-UHFFFAOYSA-N 388.512 0.594 0 40 GCAB CCNC(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 96003494 BCWFEWDYBNIXBP-UHFFFAOYSA-N 379.482 0.534 0 40 GCAB O=C(CN1CCN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1)NC1CC1 96307678 BPCDPFFLHQDERI-UHFFFAOYSA-N 387.484 0.330 0 40 GCAB COc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 224383414 HLUOXZJDSUNUNE-AWEZNQCLSA-N 385.486 0.709 0 40 GCAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cn(C)cn1 225354165 UEFGTMQJMHFWKK-YPMHNXCESA-N 383.401 0.943 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CC(S(=O)(=O)c2nccn2C)C1 225679486 MFKPROWEFMSOSF-UHFFFAOYSA-N 389.430 0.415 0 40 GCAB Cc1nonc1CNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@H]1O3 248019874 LLGMRCDAFLBVQV-NNFUDEMPSA-N 381.392 0.371 0 40 GCAB COc1cccc([C@@H](CC(=O)O)NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 532257850 PXCKDZPRIGCDIB-OAHLLOKOSA-N 384.454 0.999 0 40 GCAB Cn1cccc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1=O 575607197 WMCBSVPOUACITN-UHFFFAOYSA-N 385.346 0.777 0 40 GCAB O=C(c1ccc2nc[nH]c2c1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 575611383 WMORCSSHVHNIQP-UHFFFAOYSA-N 375.396 0.896 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585284869 ABSMEJQOUIEKLB-FQEVSTJZSA-N 396.459 0.641 0 40 GCAB COCC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)Nc1ccc(F)cc1)C2 1534640161 OVSHVGKDJLZTBO-MRXNPFEDSA-N 392.431 0.601 0 40 GCAB O=C(CN1CCOCC1)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746141 QAUSZXAESBKYAE-CQSZACIVSA-N 376.457 0.653 0 40 GCAB COc1ccccc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243260 VYUCMLQROWIGDR-AWEZNQCLSA-N 391.449 0.600 0 40 GCAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cccc(C(=O)OC)c3)CO[C@H]12 4259143 FVDQLCNFSWKIAG-GBJTYRQASA-N 378.381 0.484 0 40 GCAB biogenic,in-vitro CC(=O)N1C[C@H](N[C@@H](Cc2cnc[nH]2)C(=O)O)C(c2ccc(N(C)C)cc2)=N1 6022446 JWWXOYVUAOFRDC-IRXDYDNUSA-N 384.440 0.696 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O 7686214 YAHRTTPSGYGJEN-AWEZNQCLSA-N 376.456 0.509 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1 8041028 BYUZOJMHEBGJSI-UHFFFAOYSA-N 375.397 0.455 0 40 GCAB Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)cc1 8643409 LJVMNOBEDJECDE-CIRFHOKZSA-N 377.441 0.618 0 40 GCAB biogenic,in-vitro COc1ccc(-c2cc3nc(CCNC(=O)[C@H]4CC(=O)N(C)C4)nn3cn2)cc1 12326194 XZOJXHVEWMLVMR-AWEZNQCLSA-N 394.435 0.937 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCO[C@@H](C)C3)C2=O)cc1 12943243 CVQNNZJMPVZOEG-SGTLLEGYSA-N 376.413 0.214 0 40 GCAB COc1cc2oc(=O)c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)c2cc1OC 13728575 FWUJKTFMVXLSBS-LLVKDONJSA-N 395.433 0.964 0 40 GCAB O=C1[C@@H]2[C@H](CO)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 15958561 HQQYQASDYPZIRL-DLRJPAPCSA-N 377.400 0.600 0 40 GCAB biogenic CCCc1cc(=O)[nH]c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 16047391 XLCNWLQAWANNBO-UHFFFAOYSA-N 390.469 0.652 0 40 GCAB CC(=O)N1CCc2nnc(C3CCN(CC(=O)N4CCCCC4)CC3)n2CC1 19708965 IOBKWNHKKUKJNJ-UHFFFAOYSA-N 388.516 0.875 0 40 GCAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccnc(N2CCOCC2)c1 25290997 MEHYZOBFHBSXHU-UHFFFAOYSA-N 390.465 0.804 0 40 GCAB O=C1COc2ccc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)cc2N1 25957060 CKFXJUJWUFKRGW-UHFFFAOYSA-N 394.395 0.705 0 40 GCAB Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)cc1 49409321 ZOBQHNYTUQQWCC-UHFFFAOYSA-N 391.449 0.816 0 40 GCAB COC(=O)C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCO1 79019753 ZFFIVCIFZSPWRD-VIFPVBQESA-N 389.202 0.562 0 40 GCAB COc1ccccc1S(=O)(=O)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225633401 SHBOAQFMINSYDP-UHFFFAOYSA-N 391.453 0.655 0 40 GCAB Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n2ncnc2n1 265527191 AIIZZQAAVBZASJ-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 575422567 NIOAVOZAAVLSEX-MRXNPFEDSA-N 388.511 0.911 0 40 GCAB O=C(NCC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cccnc1 585112954 ZKQJNDSNIZSZGR-CQSZACIVSA-N 375.454 0.947 0 40 GCAB CC(=O)N1CCC(O)(CN2CCC3(CC2)C[C@H](N(C)C(C)=O)CCO3)CC1 585282568 HBOQLUPYNXQINE-GOSISDBHSA-N 381.517 0.852 0 40 GCAB CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C(F)(F)F 588010755 PFYSTHDETWZCPO-RNFRBKRXSA-N 378.307 0.875 0 40 GCAB O=C(O)CN1CCCC[C@H](N2CCN(C(=O)c3ccccc3O)CC2)C1=O 643872852 LSYZSAAKGLMMMX-HNNXBMFYSA-N 375.425 0.616 0 40 GCAB Cc1cc(CNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)ccc1S(N)(=O)=O 683650986 RABYLILXVWEKHR-UHFFFAOYSA-N 397.478 0.528 0 40 GCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)c3cscn3)CC2)[nH]1 2055713457 RVMRUEMAPXRMQT-UHFFFAOYSA-N 385.453 0.765 0 40 GCAB O=C(N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2)C1(F)CC1 2332243053 FVZJYMAMWKWUSR-ZDUSSCGKSA-N 393.440 0.933 0 40 GCAB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSCCO 3287149 PJZQLIRMXBRBGJ-UHFFFAOYSA-N 390.483 0.380 0 40 GCAB Cn1c(SCC(=O)NCCN2C(=O)CSC2=O)nc2ccccc2c1=O 3443430 MXZPKNGYJJHAMW-UHFFFAOYSA-N 392.462 0.837 0 40 GCAB Cc1oc([C@H](O)[C@@H](O)[C@H](O)CO)cc1C(=O)OCC(=O)Nc1ccc(F)cc1 7004501 DXQVUTYCTMFMLM-COXVUDFISA-N 397.355 0.270 0 40 GCAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccon1 11178902 MLTFDFNMHVSEFI-UHFFFAOYSA-N 394.409 0.576 0 40 GCAB COCCOCc1nc2n(n1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 17079448 JFIGBRBLGKNIMZ-NSHDSACASA-N 389.368 0.692 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(F)cc1 20674691 ZJEIFNBWZMJZNZ-GJZGRUSLSA-N 376.388 0.306 0 40 GCAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(=O)[nH]c1 22024208 UVKWHUIFURFTQF-UHFFFAOYSA-N 379.394 0.354 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 32911082 LBVZKXGNXRFPSE-GFCCVEGCSA-N 385.442 0.359 0 40 GCAB COC(=O)c1ccccc1NC(=O)C[C@@H](CN1CCN(C(C)=O)CC1)C(=O)O 61721584 XZUNYZQDDMEEBA-AWEZNQCLSA-N 391.424 0.667 0 40 GCAB Cc1ccn2ncc(C(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)c2n1 68721210 YGWUTWNGCNNPBZ-UHFFFAOYSA-N 383.412 0.731 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2F)C(=O)O)CC1 71288023 JBAQVVWDFHSQCP-AWEZNQCLSA-N 394.447 0.561 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2-n2cnnc2)cc1 95480598 HSNAJIRAXNVDGY-UHFFFAOYSA-N 387.421 0.610 0 40 GCAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cn(C)cn1 206805652 UEFGTMQJMHFWKK-DGCLKSJQSA-N 383.401 0.943 0 40 GCAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)C)C3)C2=O)cc1 225388103 AFXVKRXTXIJUMT-AEFFLSMTSA-N 387.480 0.710 0 40 GCAB biogenic,in-vitro O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390831473 SBHQSCGKMPVRPJ-OAHLLOKOSA-N 395.423 0.746 0 40 GCAB O=S1(=O)C[C@@H]2[C@H](C1)N[C@@H]1CS(=O)(=O)C[C@@H]1N2Cc1ccccc1Cl 575421543 IYSTZUSYCFDMRV-PYHGIMPFSA-N 390.914 0.076 0 40 GCAB CC(=O)NCC(=O)N1CCOc2ccccc2CCCOC[C@@H](O)[C@@H](O)CC1 1615152466 BILAFAQHXCRKKD-ZWKOTPCHSA-N 394.468 0.105 0 40 GCAB O=C(O)CCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 1857791583 VONWCHZVTVBNSL-YESZJQIVSA-N 385.457 0.856 0 40 GCAB CN(C)S(=O)(=O)N[C@@H]1CCc2onc(CNC(=O)C3CC(F)(F)C3)c2C1 2055729849 UFLIMJKHRGCAMI-SNVBAGLBSA-N 392.428 0.589 0 40 GCAB CCCS(=O)(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055746077 HSDZALFAPBTIDJ-UHFFFAOYSA-N 383.518 0.451 0 40 GCAB CCNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 6564580 VGYZLGDGPYCUEA-UHFFFAOYSA-N 385.424 0.191 0 40 GCAB Cn1c(=O)n(CC(=O)NC[C@H]2CCCO2)c(=O)c2c3c(sc21)CCCC3 6759024 XWSVIKFQYAONSK-LLVKDONJSA-N 377.466 0.936 0 40 GCAB O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O)N1CCOCC1 12603437 FNKZDBJNHXEWPB-CIRFHOKZSA-N 384.860 0.168 0 40 GCAB biogenic,in-vitro Cn1ncc2c(N3CCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)CC3)ncnc21 12781311 XKCJTFMNEVQEFM-AWEZNQCLSA-N 397.483 0.803 0 40 GCAB Cc1nc(Cc2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cs1 13164394 JXPXTIRZYCBBIP-SECBINFHSA-N 388.496 0.821 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(N3CCOCC3)nc2)cc1 14264690 AKGWPRQNBFWVCL-UHFFFAOYSA-N 390.465 0.538 0 40 GCAB Cc1nnc2sc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2c1=O 16975603 HQMWBVBQNFUQPH-UHFFFAOYSA-N 391.434 0.992 0 40 GCAB Cc1nc(=O)c2nnn(C[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2[nH]1 19286507 PYYDNSIUERQPCC-GFCCVEGCSA-N 392.416 0.815 0 40 GCAB Cn1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c(=O)n(C)c1=O 22834369 LLOCQEPNJCMXMZ-UHFFFAOYSA-N 390.421 0.463 0 40 GCAB CN(C)CCNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 22906666 DIVMUONMBGRQEM-FQEVSTJZSA-N 395.507 0.975 0 40 GCAB CC(=O)N1c2ccc(S(=O)(=O)NCCCn3ncccc3=O)cc2C[C@H]1C 23242020 OZYBPAIZUAIOQO-CYBMUJFWSA-N 390.465 0.909 0 40 GCAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 58244480 DFXVPIXAWZBQFN-QGZVFWFLSA-N 376.369 0.071 0 40 GCAB O=C(c1cc[nH]n1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71764755 VZHUDJWVOFOKHR-HNNXBMFYSA-N 375.473 0.585 0 40 GCAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 408600405 ASPBVUKJBZZKPG-CQSZACIVSA-N 385.486 0.201 0 40 GCAB CO[C@@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1CC(=O)N1CCCC1 585292029 VRVPKGIIPNQSPL-UBZMYNMCSA-N 379.501 0.751 0 40 GCAB Cc1nsc(N2CCCN(C(=O)[C@H](C)n3cnc4c(N)ncnc43)CC2)n1 669316368 ZTTDAURIFVTOFX-JTQLQIEISA-N 387.473 0.868 0 40 GCAB COCCN1C[C@]23CN(C(=O)c4c(C)cccc4F)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565545544 IIIYEAZVICMKTF-QIIPPGSGSA-N 398.456 0.778 0 40 GCAB COc1ccc(NS(=O)(=O)c2ccc(N)c(S(N)(=O)=O)c2)cc1OC 1775979026 XZOWWLVFXBHXJA-UHFFFAOYSA-N 387.439 0.734 0 40 GCAB O=C(c1ncccn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773112 YAQRLPDHZSTNOV-UHFFFAOYSA-N 382.346 0.983 0 40 GCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3C2)cn1 2056224788 VZXUORDXZVXADG-GJZGRUSLSA-N 375.454 0.976 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3cc(N4CCCC4)ncn3)CC2)C[C@@H](C)O1 2086889132 DNTIDROXPIKHFN-CALCHBBNSA-N 388.516 0.835 0 40 GCAB Cc1c(S(=O)(=O)Nc2ccc(Br)cc2)c(=O)n(C)c(=O)n1C 4270170 QZERLYHGRVDUDH-UHFFFAOYSA-N 388.243 0.956 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4877481 VOSWRYRYGCAHQU-AHLTXXRQSA-N 386.382 0.230 0 40 GCAB COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 5219045 NBJKIYUNCQGKTF-JQWIXIFHSA-N 394.181 0.698 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C(C)(C)C)cc1 7932871 IKMUNNRYPPZYSC-UHFFFAOYSA-N 384.454 0.548 0 40 GCAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 9048434 AETTVTMJLDKZHV-UHFFFAOYSA-N 381.410 0.024 0 40 GCAB C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 32902183 BJAHOQPNHDJVNF-ZDUSSCGKSA-N 377.445 0.219 0 40 GCAB CCCCNC(=O)NC(=O)CN1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 40105831 FHZOILMIADMMNI-GJZGRUSLSA-N 382.505 0.960 0 40 GCAB Cn1ccnc1CN1CCC(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 40154687 RGLJGXVQGLKLDV-UHFFFAOYSA-N 380.456 0.924 0 40 GCAB CCN1C[C@@]2(CC1=O)CN(C(=O)C1CCOCC1)CCN(C(=O)N(C)C)C2 96036247 NPZJAOIFCLHTBH-IBGZPJMESA-N 380.489 0.477 0 40 GCAB CCOC(=O)C1=C(C)NC(=O)[C@H](C(N)=O)[C@H]1c1cc(OC)c(OC)c(OC)c1 100256777 YDEGCCMUNPUWPP-GJZGRUSLSA-N 392.408 0.864 0 40 GCAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 107355137 YXKXLINGOIQODH-CIPRDKORSA-N 388.468 0.803 0 40 GCAB COC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 224767157 XDIIBBKHXZSIEU-UHFFFAOYSA-N 376.460 0.706 0 40 GCAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)Cc4ccccn4)C3)nc2n(C)c1=O 257205507 AZJUEHHYSCBQAJ-ZDUSSCGKSA-N 379.420 0.586 0 40 GCAB CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NCc2ccccn2)[C@@H](O)[C@@H]1O 257296693 RDZGZYAJOPMIQO-MUIFIZLQSA-N 383.456 0.502 0 40 GCAB Cn1c(=O)c2ncn([C@@H]3CCC[C@@H](NCc4ccccc4)[C@H]3O)c2n(C)c1=O 257319686 VTPJLELSVABANO-BFYDXBDKSA-N 383.452 0.678 0 40 GCAB COc1cc(=O)n(C)cc1C(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 585322570 TYPMZXFGMKPWEO-UHFFFAOYSA-N 394.453 0.206 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1565523622 VCVHRZIRRKPCFP-UHFFFAOYSA-N 396.382 0.591 0 40 GCAB CC[C@](O)(C(=O)OCc1ccc(N2C(=O)CC[C@@]2(O)C(=O)O)cc1)[C@H](C)O 1772591212 LTKIIGKZQKJIIY-UZCIPKQKSA-N 381.381 0.152 0 40 GCAB CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 1772594885 DHOFWGWUKIFAAU-BZUAXINKSA-N 399.513 0.481 0 40 GCAB Cc1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(N2CCOCC2)n1 1889149392 IRBRZYGPZPKUIO-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C)c1 4554294 GUIKAGDIKBRGIL-CYBMUJFWSA-N 385.461 0.930 0 40 GCAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 20573517 OSRFTSFLYDFNLA-UHFFFAOYSA-N 381.498 0.536 0 40 GCAB CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 22416244 PFUQCSAWPMEXQF-UHFFFAOYSA-N 388.424 0.769 0 40 GCAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 23631232 RSNBNVAKJGPURJ-QLFBSQMISA-N 387.488 0.510 0 40 GCAB O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@H]1COc2ccccc2O1 43077127 QFOIUCPRCVYEAG-AWEZNQCLSA-N 387.440 0.910 0 40 GCAB O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCN(C[C@H]2CCCO2)CC1 59324297 LAVIBQNVZRBVNO-MRXNPFEDSA-N 392.504 0.277 0 40 GCAB O=C(O)c1cnc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1=O 226105170 IMLGDJWJIAJWAZ-UHFFFAOYSA-N 395.393 0.068 0 40 GCAB CN(CCO)[C@H]1[C@H](NC(=O)C2CCOCC2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257211013 BXCNSPZSJXYTNI-YRXWBPOGSA-N 396.459 0.542 0 40 GCAB Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCCC1 408609495 TVLYJWYXODSTKO-UHFFFAOYSA-N 381.498 0.842 0 40 GCAB CCn1nncc1CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 528441987 UUXFYVPSQFLSDZ-UHFFFAOYSA-N 385.471 0.217 0 40 GCAB O=C(CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)C2)N1CCCC1 575404029 LIJYGRMBNFMTRW-OAHLLOKOSA-N 395.481 0.643 0 40 GCAB O=C(O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)nc1 649463965 HALHCSXETYHJJK-UHFFFAOYSA-N 383.408 0.644 0 40 GCAB O=C(CN1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1)Nc1nncs1 679425543 XJJDYBRWFZJEKX-UHFFFAOYSA-N 387.469 0.586 0 40 GCAB Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC([C@@H]4CCOC4)C3)ccc21 684346459 BQEKGBMHJBJHNP-GFCCVEGCSA-N 387.440 0.486 0 40 GCAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C 4249445 DELSUEBEAOWKEQ-NSHDSACASA-N 398.423 0.178 0 40 GCAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 9879884 ZRJZJODHLFKCHA-UHFFFAOYSA-N 376.394 0.596 0 40 GCAB CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCNC2=O)ccc1Cl 11109209 ZZOHOFHGLPOWIV-UHFFFAOYSA-N 389.817 0.299 0 40 GCAB Cn1c(NCCN2CCOCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 12406731 DQSYKTOTKMEHSJ-UHFFFAOYSA-N 398.467 0.226 0 40 GCAB COc1ccc(CCn2c(SCCO)nc3c2c(=O)n(C)c(=O)n3C)cc1 12550290 VQTZGUVHGWXQRX-UHFFFAOYSA-N 390.465 0.769 0 40 GCAB COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 12801952 XCPWUGHQLKQBMA-HNNXBMFYSA-N 384.454 0.635 0 40 GCAB O=C(NCCN1CCOCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 14241220 TZJMRHPXZPRXGW-UHFFFAOYSA-N 393.465 0.820 0 40 GCAB CC/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20290377 FNNVZOHSXNKIAX-FOCLMDBBSA-N 378.473 0.983 0 40 GCAB O=c1oc(-c2ccc(F)cc2)nn1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22934462 JGUBCLLLUPRLHH-OAHLLOKOSA-N 396.444 0.405 0 40 GCAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 24649087 JRAQALGOSWRBQA-UHFFFAOYSA-N 380.426 0.392 0 40 GCAB Nn1c(CCC(=O)O)nc(SCC(=O)Nc2ccc(Cl)cc2)nc1=O 27643331 BWLLEPWWHLXDPT-UHFFFAOYSA-N 383.817 0.754 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCCn2cccn2)c1 30518750 CQXWSOQMHBCOHM-UHFFFAOYSA-N 381.410 0.825 0 40 GCAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32736748 JYUCMPYHOPHVCL-STQMWFEESA-N 375.425 0.842 0 40 GCAB COCCCNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 36360326 LVFVSVBDGKWZBD-UHFFFAOYSA-N 399.469 0.716 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)NC3CC3)C2)cc1 42384750 QCGNUSBEBANVQG-CQSZACIVSA-N 394.497 0.577 0 40 GCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1nc(-c2cnccn2)no1 44122683 XUGXEXPHJRRBNW-UHFFFAOYSA-N 379.336 0.773 0 40 GCAB COC[C@@](C)(O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 77200957 JKHNGIUAMSERLY-HNNXBMFYSA-N 392.499 0.292 0 40 GCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 226650495 WJVSUUOYTGGIPB-UIVXKWKOSA-N 385.372 0.948 0 40 GCAB CCC[C@H](C)[C@]1(CC)C(=O)N=C(S[C@H]2CS(=O)(=O)C[C@@H]2O)NC1=O 245380823 NXXAPSZQDRRYHL-DCAQKATOSA-N 376.500 0.723 0 40 GCAB CC(=O)Nc1cc(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)ccn1 257227083 FNNQOZYVTCXWND-LJQANCHMSA-N 376.457 0.729 0 40 GCAB Cc1ccc(=O)n(CC2CN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)n1 585603531 YUVKWORLPPGQLJ-UHFFFAOYSA-N 376.394 0.719 0 40 GCAB C[C@@]1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)COc2ccccc2O1 623511936 MMWXXBKHYRZAAL-KSSFIOAISA-N 380.466 0.548 0 40 GCAB CC(C)N(C)CC(=O)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1565548720 IVQGTLLLWRTQJG-APWZRJJASA-N 378.473 0.360 0 40 GCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccc(OC)nn5)C[C@H]4C3)nn12 1888914065 RYXLHVZAPDZSPB-CHWSQXEVSA-N 394.439 0.694 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1(O)CSCCSC1 1889031983 UOKVMZALNJGWLS-UHFFFAOYSA-N 384.479 0.359 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cc(C)on2)CC1 2055746005 YWHZASRTTQQMIJ-UHFFFAOYSA-N 376.461 0.348 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@H]1CCS(=O)(=O)C1 7921980 GBKLVZCTBJPQKN-LLVKDONJSA-N 390.483 0.709 0 40 GCAB COc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 13570075 FWXUNTOJXKGVNP-MRVPVSSYSA-N 384.439 0.545 0 40 GCAB O=C(N[C@@H]1C=CS(=O)(=O)C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 13722229 RPNIBRXJDJBRKB-CQSZACIVSA-N 384.479 0.514 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1 19561764 VARQJCQFYVVQQK-UHFFFAOYSA-N 382.417 0.996 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccncc1 20726174 DDKMMPITUMGYHP-AWEZNQCLSA-N 382.376 0.937 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 32915887 RELCJGPCMCHTPB-UHFFFAOYSA-N 390.421 0.661 0 40 GCAB O=c1c2ccccc2nnn1CN1CCN(S(=O)(=O)c2cccs2)CC1 34873135 XOLQDJMAYDAWFG-UHFFFAOYSA-N 391.478 0.817 0 40 GCAB Cc1noc(CN2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)n1 77523510 LISLQQJWSUPKSD-UHFFFAOYSA-N 375.477 0.843 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCNc2ccc(-n3cccc3)nn2)CC1 90607773 WDRDEGIYIIDKMJ-UHFFFAOYSA-N 392.485 0.467 0 40 GCAB CCNC(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96266272 CLIHEMLGUYBJNW-UHFFFAOYSA-N 391.453 0.215 0 40 GCAB CC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)C[C@@H]1C(N)=O 257332482 XXMGXVLQLQIFGM-LJQANCHMSA-N 386.496 0.486 0 40 GCAB CS(=O)(=O)N1CC[C@@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@H]2C1 306130936 JSVJBRRUNYZQTG-IRXDYDNUSA-N 378.498 0.798 0 40 GCAB CCNS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 408594268 OGHLZHPVDZVYFU-UHFFFAOYSA-N 383.514 0.756 0 40 GCAB COCC(=O)N[C@@H]1CN(Cc2cnnn2-c2ccccc2)C[C@H]1c1ccnn1C 1615548177 IESPJKYTJVWSFI-QZTJIDSGSA-N 395.467 0.731 0 40 GCAB Cc1cccc(Cn2c(SC[C@H](O)CO)nc3c2c(=O)[nH]c(=O)n3C)c1 839517 MECHKYLMRXSALE-GFCCVEGCSA-N 376.438 0.225 0 40 GCAB biogenic,in-vitro NC(=O)CC[C@H](NC(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 5944367 JYTLIFATJQSSDT-JTQLQIEISA-N 390.318 0.662 0 40 GCAB O=C(OCC(=O)N1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 6321284 HHYXTPVOMWDLQZ-UHFFFAOYSA-N 382.438 0.956 0 40 GCAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N1CCOCC1 6678799 UPZYMGMNAYKVRZ-UHFFFAOYSA-N 375.406 0.725 0 40 GCAB COC(=O)CCC(=O)Nc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)OC 8306780 OKEPPROSEPUPLY-CYBMUJFWSA-N 398.437 0.904 0 40 GCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCc2ccccn2)cc1 11859349 HLRMLUFNROHOKT-UHFFFAOYSA-N 381.435 0.627 0 40 GCAB CC(=O)Nc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12790583 ZTCISOWCAZGSQA-CQSZACIVSA-N 392.437 0.749 0 40 GCAB COC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(OC)c(OC)c1 13073085 DKRWSJTUSIUNOL-MFOYZWKCSA-N 394.449 0.952 0 40 GCAB CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2cccs2)CC1 20503850 AKMMTBTUVVSESP-YESZJQIVSA-N 398.598 0.984 0 40 GCAB biogenic,in-vitro COCc1cc(=O)n(CC(=O)NCc2cccc(C)c2)c(N2CCOCC2)n1 67319456 XOWKQFAWWHQCQV-UHFFFAOYSA-N 386.452 0.851 0 40 GCAB O=C1CN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CCN1 72327555 ZOROSNQFXUFWOD-FQEVSTJZSA-N 385.420 0.362 0 40 GCAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 95479983 COTPKNVSTQLMRI-GXTWGEPZSA-N 383.861 0.804 0 40 GCAB Cc1n[nH]c(-c2ccc(C(=O)N3CC(S(=O)(=O)N4CCOCC4)C3)cc2)n1 95999326 NYUGOHILMOKXAS-UHFFFAOYSA-N 391.453 0.267 0 40 GCAB O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 101202799 PGYHHLNKTGLNSE-JOCBIADPSA-N 380.448 0.647 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc(C)n[nH]2)cc1 226035287 VFKRUFWNCSKYTP-UHFFFAOYSA-N 399.498 0.651 0 40 GCAB NCCOc1cccc(C(=O)N[C@H]2CCC[C@H](n3ccc(O)nc3=O)[C@H]2O)c1 257223753 DYRNFKSVDYJBEI-ZOBUZTSGSA-N 388.424 0.171 0 40 GCAB C[C@H]1CN(CCN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 660228946 SJKPPCBVLWCPOL-BBWFWOEESA-N 375.535 0.222 0 40 GCAB COc1ccccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 4583767 ALNRHDUZHWNRNG-UHFFFAOYSA-N 377.422 0.640 0 40 GCAB CCOC(=O)CNC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C 16981004 SVYJLFKHLVCWRE-UHFFFAOYSA-N 375.429 0.801 0 40 GCAB Cc1csc2nc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc(=O)n12 22785911 IHTHBHICGSYTAG-CQSZACIVSA-N 382.511 0.369 0 40 GCAB CC(=O)Nc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 30530228 VQHIKQUQPNYRLM-DYVFJYSZSA-N 379.438 0.812 0 40 GCAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 32860405 HQHRKYFMGQHJKV-RBUKOAKNSA-N 398.525 0.691 0 40 GCAB CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(C)C 40157852 ADTOMGXQKMPXND-UHFFFAOYSA-N 388.442 0.714 0 40 GCAB COC(=O)[C@H]1C2[C@@H]3[C@@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C1(COC(C)=O)C43COC(C)=O 101045049 UGZGXXPIUYOPTJ-LSEXTIQBSA-N 392.404 0.429 0 40 GCAB COc1ncccc1C(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 247887509 SBAYHAWNDRZLHQ-LBPRGKRZSA-N 379.442 0.108 0 40 GCAB CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21 1431852 YAAPHYGYSWUBHX-UHFFFAOYSA-N 389.433 0.945 0 40 GCAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 7988139 HCGUBFGVLSAFGJ-AWEZNQCLSA-N 399.476 0.857 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1N(C)S(C)(=O)=O 10435118 HBOXWGJMDFOBLQ-UHFFFAOYSA-N 394.471 0.576 0 40 GCAB COc1ccc(NC(=O)[C@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 12131366 YKUKRFDVQPRONU-JKSUJKDBSA-N 393.469 0.955 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Br)c1 12622948 OVITVYBVOAKCOY-LLVKDONJSA-N 391.243 0.501 0 40 GCAB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(C(N)=O)cc1 12820264 ISPOPWWYBQRUBL-ZWNOBZJWSA-N 383.426 0.080 0 40 GCAB CC[C@@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13739061 HOTWUPYJZKJPKW-ZDUSSCGKSA-N 375.404 0.804 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(OC)cc1OC 18077590 BNNBASGYHBCGJM-JKSUJKDBSA-N 391.424 0.742 0 40 GCAB NC(=O)CN1CCC[C@@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1 19663739 XPAJNHODUYEDRF-CQSZACIVSA-N 394.497 0.752 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccccc1Cl 20566148 HRFBIYHWLSPWLK-UHFFFAOYSA-N 389.843 0.957 0 40 GCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 24256846 RALARAMHRXASHS-UHFFFAOYSA-N 395.506 0.841 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nccs1 32089066 ABPSSMXUGQVLJN-LBPRGKRZSA-N 380.451 0.661 0 40 GCAB CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12 33292013 VAFXGQHRHVEJOC-UHFFFAOYSA-N 388.453 0.536 0 40 GCAB COc1cccc(C[C@@H](C(=O)NCCC(=O)N2CCCC2)n2nnnc2C)c1 40120723 WEPBBVIWBHPMFC-KRWDZBQOSA-N 386.456 0.903 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC(F)(F)F)CC2)o1 40151551 IBPYPEXLHUREQO-UHFFFAOYSA-N 385.320 0.384 0 40 GCAB O=C(NC[C@@H]1CN2CCN1CC2)c1cccc(S(=O)(=O)N2CCCC2)c1 89780744 ZLZODGICEABTIV-MRXNPFEDSA-N 378.498 0.201 0 40 GCAB O=C(CCCn1nnc2ccccc2c1=O)NCCc1nnc2ccccn12 95474202 UOGBHCJEOKDFGG-UHFFFAOYSA-N 377.408 0.973 0 40 GCAB CN(CCc1ccccn1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCOCC2)O1 225284483 ZRWOUJNHEFQDCA-FHWLQOOXSA-N 377.485 0.713 0 40 GCAB biogenic,in-vitro CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)CC1 285000715 IBFIZYVOEGEJMT-CQSZACIVSA-N 397.497 0.914 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2[nH]cnc2C)C3)n1 306135330 ONSKPCVHFRMWJR-ZDUSSCGKSA-N 391.453 0.525 0 40 GCAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cnn(C)c4)C[C@@H]32)cc1 306145029 ZVJWSJSMZTWRQX-ZWKOTPCHSA-N 392.463 0.724 0 40 GCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(CCN)[C@@]1(C)CCS(=O)(=O)C1 575426637 XHEQXNLDBJRZRV-HNNXBMFYSA-N 390.483 0.220 0 40 GCAB CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CO)CC[C@H]32)CC1 585138434 PHZSIVAPAIIQQA-UONOGXRCSA-N 382.461 0.373 0 40 GCAB Cn1nc2c(c1C(=O)NC[C@](C)(O)c1cccc(F)c1)CS(=O)(=O)CC2 1178264860 DAXGJPRAWPDEPI-KRWDZBQOSA-N 381.429 0.668 0 40 GCAB CN1CCN(C(=O)[C@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@H]2O3)CC1 1565546661 CAPITDNIRCVHAV-YESZJQIVSA-N 376.432 0.153 0 40 GCAB CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@@H](C(=O)NCc2cccs2)C1 1614928771 RUQCGMFZWWCOIK-AWEZNQCLSA-N 390.513 0.955 0 40 GCAB O=S1(=O)N=C(N2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@@H]3C2)c2ccccc21 1888888480 YBLPTNYDZHIODF-RYUDHWBXSA-N 381.479 0.491 0 40 GCAB Cn1ccc2ccn(CCC(=O)N3CCN(CC(=O)NC4CC4)CC3)c(=O)c21 1888920867 JGJBKWYLEYYLKL-UHFFFAOYSA-N 385.468 0.153 0 40 GCAB COC(=O)c1ccc(C(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1 1889211629 UKIYVXJIFAENIQ-UHFFFAOYSA-N 384.454 0.644 0 40 GCAB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 3331275 RLXKHPXSNCLAHU-BJMVGYQFSA-N 396.446 0.910 0 40 GCAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c2n(C)c1=O 4571018 UAVFLUFXLBMQQV-UHFFFAOYSA-N 395.391 0.980 0 40 GCAB CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)CCC(=O)O)CO[C@H]23)n1 5433904 VLUIUQKMSGKOTH-DPDCMNJDSA-N 378.429 0.702 0 40 GCAB biogenic,in-vitro CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)OC)c1=O)CCCC3 6661545 APIZVMWQGXZSGG-UHFFFAOYSA-N 380.422 0.840 0 40 GCAB Cc1nnc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n1N 7985996 UORZUSDWKSJUMM-ZDUSSCGKSA-N 387.531 0.741 0 40 GCAB Cn1c(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(=O)n(C)c1=O 10909035 XGAHGOXIAOXBOO-GOSISDBHSA-N 398.463 0.864 0 40 GCAB CCCc1cc(O)nc(SCC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)n1 11443586 HQZDAAAOPQVEHJ-UHFFFAOYSA-N 379.442 0.952 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2nc3ccccn3c2=O)CC1 12914127 CLBKVLPCJKBFQL-UHFFFAOYSA-N 392.441 0.065 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 18175009 PMGPKIRNCXAOGZ-UHFFFAOYSA-N 378.410 0.917 0 40 GCAB CCc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)on1 19522794 AFSOVLCCPXKGLK-LBPRGKRZSA-N 381.458 0.688 0 40 GCAB CN(CC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)Cc1ccccn1 19586543 BJKLXVFHTBUCQN-UHFFFAOYSA-N 380.448 0.954 0 40 GCAB Cc1cc(N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)cc([C@@H]2CCNC2)n1 19739032 AASHNJAEEMMOMU-QGZVFWFLSA-N 396.495 0.681 0 40 GCAB Cc1ccc(C)c(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)N(C)C)c1 20244968 TWJCWNLFLLIPJF-UHFFFAOYSA-N 382.486 0.217 0 40 GCAB COc1ccc(OCc2noc(CN3CCN(S(C)(=O)=O)CC3)n2)cc1 28635181 BDMUMJNVIYZPDZ-UHFFFAOYSA-N 382.442 0.734 0 40 GCAB COc1cccc(CCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 40121370 GWEZQCGWKKKJBZ-GJZGRUSLSA-N 380.466 0.390 0 40 GCAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12 72347051 ICZMTPIFUZIXAC-CHWSQXEVSA-N 384.440 0.726 0 40 GCAB COC(=O)CNC(=O)CCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 89400937 AKDIFSMLQCBBNG-UHFFFAOYSA-N 385.468 0.669 0 40 GCAB CN1CCN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 113943648 DLJKPGYJZRIXDP-UHFFFAOYSA-N 383.470 0.736 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 225731322 DHLWYVWDIIXPSL-UHFFFAOYSA-N 376.364 0.740 0 40 GCAB CS(=O)(=O)c1ccc(CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 244986217 JKZQNWYTKJUJQF-UHFFFAOYSA-N 394.449 0.993 0 40 GCAB CCn1cc(CN2CC[C@H]3[C@H](CC(=O)NC4CS(=O)(=O)C4)OC[C@H]3C2)cn1 585109393 MTTDHPIOSQFUAG-OIISXLGYSA-N 396.513 0.043 0 40 GCAB O=S(=O)(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)N1CCCC1 585147695 SFIRMSWHGGSHFM-UHFFFAOYSA-N 386.499 0.650 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cn2c(=O)oc3ccccc32)C1 585322964 PWJXDQKCSLRSTC-UHFFFAOYSA-N 376.394 0.013 0 40 GCAB Nc1ncnc2c1c(I)cn2[C]1O[C@H](CO)C(O)=C1O 1560411824 IAQZBSZGRABORF-RXMQYKEDSA-N 389.129 0.674 0 40 GCAB CC(C)NC(=O)c1nnc2n1C[C@]1(CCN(C(=O)CN(C)C(C)C)C1)OC2 1614934097 MTSGYCUOZWSHQA-GOSISDBHSA-N 378.477 0.258 0 40 GCAB COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 4495872 LVLRBEUCUNAWIL-ZDUSSCGKSA-N 385.376 0.470 0 40 GCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ncccn3)CC1)C2=O 8231059 OUUYKGPPDHXJQC-KUHUBIRLSA-N 386.456 0.626 0 40 GCAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)C1CCN(S(C)(=O)=O)CC1 12142034 XQJQFDNFOLGTRA-LBPRGKRZSA-N 381.454 0.771 0 40 GCAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 12239571 NLLHHEHAIOTBQE-ZFWWWQNUSA-N 389.481 0.971 0 40 GCAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12925781 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390.343 0.340 0 40 GCAB CCOC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)c(=O)n1N 2567078 LQDIHDRODCBJNQ-UHFFFAOYSA-N 380.426 0.615 0 40 GCAB CCCn1nnnc1COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 13106072 NGZPVUVTOSEDRC-UHFFFAOYSA-N 383.430 0.699 0 40 GCAB C[C@H](C(=O)NCCCN(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 13595968 AXQBKEQHTSKZTB-CYBMUJFWSA-N 385.486 0.680 0 40 GCAB O=C(C1CC1)N1CCc2c(O)nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc2C1 19014482 FZYOPWFPPFIVCC-CJNGLKHVSA-N 386.452 0.972 0 40 GCAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)CN3CCCC3)c3ncccc23)C1 19016541 QSXHCWZUQGSSEK-INIZCTEOSA-N 384.484 0.979 0 40 GCAB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCC2)c2cccn2C)CC1 21156705 CUBVCERUDCKMMF-SFHVURJKSA-N 375.517 0.879 0 40 GCAB COc1ccc(CCn2c(SCC(N)=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 23115398 KBEYXUSKBPDTAM-UHFFFAOYSA-N 389.437 0.252 0 40 GCAB COC(=O)c1cc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1F 32905588 KZRGJJSVWBNDSO-UHFFFAOYSA-N 386.339 0.810 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)n(C)c1=O 46626373 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COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 928628 DSLYOROTAUIBKD-UHFFFAOYSA-N 389.437 0.710 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cnn(-c2ccccc2)n1 6880753 WIKCZBQHSKTMLV-CYBMUJFWSA-N 391.453 0.033 0 40 GCAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 12142963 OUPNTGMOCFGCKK-UHFFFAOYSA-N 398.467 0.735 0 40 GCAB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)N1CC(=O)Nc2ccccc21 12818828 VPNGRVDDDBZZQV-BXUZGUMPSA-N 395.437 0.327 0 40 GCAB CN1CCc2nc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)sc2C1 12822118 ZFRBYRMLVDHUDS-UHFFFAOYSA-N 386.437 0.329 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@@H]3C[C@H]3C)CC2)cc1 12985465 WSBKOAREHNDOFP-CZUORRHYSA-N 395.481 0.300 0 40 GCAB C[C@@H](Cc1ccccn1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 19457013 GBDFGYTWDXMMBV-GJZGRUSLSA-N 391.497 0.963 0 40 GCAB CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C(=O)OCC)C3)[nH]c(=O)c21 19821466 FDEXWYYJXFRXPA-GHMZBOCLSA-N 391.428 0.111 0 40 GCAB Cn1c(CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc(=O)n(C)c1=O 40120046 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CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)O)CC1 72405877 UEUVMENDBJJBOA-CYBMUJFWSA-N 377.397 0.609 0 40 GCAB CCCn1c(=O)n(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)O)c2ccccc21 95969818 OBDKCIRSTVQVKU-OAHLLOKOSA-N 388.424 0.405 0 40 GCAB Cc1cccc(CN2CC[C@@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)n1 96225699 BSFBHWXEHKTGSW-HXUWFJFHSA-N 387.484 0.559 0 40 GCAB COc1ccc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4cnn(C)c4)[C@@H]3C2)cc1 96248760 UUZCVNGOPWQCBN-MSOLQXFVSA-N 392.481 0.703 0 40 GCAB Cc1nonc1CNC(=O)[C@H]1CN(C(=O)Cn2ccc3ccccc32)CCN1C 257266589 MDQMRYORSIWRPR-GOSISDBHSA-N 396.451 0.792 0 40 GCAB O=C(O)c1csc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1 552012054 FPKNMSGSODUTPX-MNOVXSKESA-N 392.430 0.406 0 40 GCAB CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CO)CC[C@@H]32)CC1 585138432 PHZSIVAPAIIQQA-KBPBESRZSA-N 382.461 0.373 0 40 GCAB CC(C)N(C)CC(=O)NC[C@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1 1565547771 NKKRXPKFQGOYKG-CQSZACIVSA-N 377.489 0.980 0 40 GCAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 8657264 RKDFGIIVKIYMAJ-NSHDSACASA-N 398.423 0.178 0 40 GCAB C[C@H](NC(=O)c1ccnn1C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366297 GHDPLQNWUAQKSF-GOEBONIOSA-N 385.468 0.890 0 40 GCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(-n2cnnn2)c1 12983270 UXIFYZXPVVWOHY-UHFFFAOYSA-N 377.364 0.694 0 40 GCAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 13811597 PJBNSTHAJPHKLT-UHFFFAOYSA-N 385.424 0.830 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 14208906 GSQGPXSBEZHXNL-OAHLLOKOSA-N 396.465 0.733 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCc2ccco2)cc1 22228403 AYAJJPURULWTRO-UHFFFAOYSA-N 393.465 0.941 0 40 GCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN([C@@H]3CCS(=O)(=O)C3)CC1)C2=O 22935480 JNVMBQNYIGYEGA-IIDMSEBBSA-N 398.529 0.249 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C=O)CC3)C2)cc1 26111339 OPOZLFIPPGEHRQ-OAHLLOKOSA-N 395.481 0.397 0 40 GCAB Cc1cc(NC(=O)CSc2nnc(Cc3c(C)[nH]c(=O)[nH]c3=O)o2)no1 36708463 BTXLXRXNOYENEN-UHFFFAOYSA-N 378.370 0.373 0 40 GCAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)NC[C@H]1CCCO1 49409312 HMFURTQFRVMPPO-OAHLLOKOSA-N 397.497 0.708 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNC(=O)Cn2c(=O)oc3ccccc32)c1=O 90590903 QNISUXSFVYQSTM-UHFFFAOYSA-N 385.302 0.325 0 40 GCAB C[C@@](O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)OCO2 90594147 NMOKFXREMXOUFI-QGZVFWFLSA-N 384.454 0.411 0 40 GCAB CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)n2nnnc2C(C)(C)C)CC1 95993632 RSPNMCUYOINZJZ-GFCCVEGCSA-N 386.522 0.804 0 40 GCAB CC(C)Cn1ccnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1=O 95999611 DGSCUHVAMNMDHM-HNNXBMFYSA-N 384.502 0.530 0 40 GCAB CC(C)Cn1ccnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1=O 95999612 DGSCUHVAMNMDHM-OAHLLOKOSA-N 384.502 0.530 0 40 GCAB Cc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(N2CCOCC2)n1 1889211572 IIHGTSGZFQDDCG-UHFFFAOYSA-N 381.444 0.615 0 40 GCAB COc1ccc2c(c1)[C@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O 806630 VCSSBSWTTXKOTR-INIZCTEOSA-N 376.394 0.744 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(OC)cc2)n(C)c1=O 894606 IWRRYSKCBYSCNJ-UHFFFAOYSA-N 399.407 0.620 0 40 GCAB O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1362934 UHPBUNFLOUMBKV-UHFFFAOYSA-N 386.451 0.779 0 40 GCAB C[C@H]1OC(C)(C)O[C@@H]1[C@@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1 4114231 PRBIBKGAXKRAAU-CDMKHQONSA-N 386.412 0.728 0 40 GCAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 4337160 IWUAXJQHMBHJNY-GOSISDBHSA-N 397.431 0.926 0 40 GCAB COC(=O)c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc(C(=O)OC)c1 4937029 HXXBQFZREMWIBR-UHFFFAOYSA-N 398.437 0.870 0 40 GCAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6033878 IIDHYAHIIPOWIS-SECBINFHSA-N 387.362 0.623 0 40 GCAB NC(=O)c1cc(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc(C(N)=O)c1 6941332 VLAWWUSIXIUUQE-UHFFFAOYSA-N 390.783 0.916 0 40 GCAB Cc1nn(CC(=O)NCc2cccs2)c(C)c1S(=O)(=O)N1CCOCC1 7463274 YLCPVWBLLHLQIV-UHFFFAOYSA-N 398.510 0.899 0 40 GCAB CC(C)(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)cc1 19665976 VZXPCWRKJXNHAE-UHFFFAOYSA-N 399.488 0.825 0 40 GCAB CN(C)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 31504815 RFPJJSKDAUIZQU-UHFFFAOYSA-N 398.485 0.894 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 38730438 KATVDUJTHIBTJI-CVEARBPZSA-N 387.411 0.749 0 40 GCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1 47891479 LDEMIDVEGJBFQG-CYBMUJFWSA-N 381.458 0.762 0 40 GCAB COCc1cc(=O)n(CC(=O)NCc2ccc(C)cc2)c(N2CCOCC2)n1 67219797 YSHXUVSABUKYBI-UHFFFAOYSA-N 386.452 0.851 0 40 GCAB Cn1nc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1=O 96099459 SQCCYFBHYXTWCX-UHFFFAOYSA-N 379.413 0.998 0 40 GCAB CN1C[C@H](C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3cccs3)CC2)CC1=O 225546660 PMQSPSQJWHAYCU-CYBMUJFWSA-N 389.481 0.882 0 40 GCAB NC(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1 257222670 DUGLCZYMYPKROM-YOEHRIQHSA-N 379.432 0.629 0 40 GCAB O=S1(=O)CC[C@H](NN(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)C1 575422371 VDTIWKZFARMBKO-GJZGRUSLSA-N 376.475 0.507 0 40 GCAB CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC[C@H](C(=O)O)N2c2cnn(C)c2)CC1 630654999 HYXOCUVKRLHKTG-HZPDHXFCSA-N 391.472 0.559 0 40 GCAB NC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 2651357 MVVSFBKKMPSEEH-UHFFFAOYSA-N 395.371 0.954 0 40 GCAB C=CCNC(=O)N[C@H]1CCN(C(=O)C=C(C)C)[C@@H]1C(=O)NCCCC(=O)OC 3839189 JHYGNVHWUPAMNT-YOEHRIQHSA-N 394.472 0.477 0 40 GCAB biogenic,in-vitro CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4537048 BXYXLQLWQBOEDJ-AWEZNQCLSA-N 379.413 0.645 0 40 GCAB in-vitro Nc1nccnc1C(=O)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 5040517 BCBIVBKMCPSAJH-ZDUSSCGKSA-N 396.469 0.564 0 40 GCAB CCNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 9708543 JKFNZOPCZSJOCM-UHFFFAOYSA-N 395.481 0.471 0 40 GCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15328996 YPIVSGRMXWABIO-CQSZACIVSA-N 386.495 0.793 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 22934869 MDAQEVFNLMZHDT-KRWDZBQOSA-N 390.532 0.994 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 32726182 SDENUSKFXOKCCN-OAHLLOKOSA-N 399.495 0.631 0 40 GCAB COc1cc(C(=O)NCCC(=O)N2CCCC2)cc(Cl)c1OCC(N)=O 32879897 LNGVIESANQXLNS-UHFFFAOYSA-N 383.832 0.955 0 40 GCAB CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 36829741 LNIQFDJQTDYGQN-CQSZACIVSA-N 389.499 0.488 0 40 GCAB COC(=O)c1cnc(NCC[C@@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 40153529 MECMEOWGRJTKFO-AWEZNQCLSA-N 399.469 0.870 0 40 GCAB O=C(NCCc1cccc(O)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 58172121 OEMOAJCDMWKXTB-CYBMUJFWSA-N 379.438 0.216 0 40 GCAB Cn1nnnc1SCC(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O 70637552 COJVSFUMCHNUGZ-UHFFFAOYSA-N 389.416 0.481 0 40 GCAB COc1cccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 224383274 NOENCUSQZNDQPS-AWEZNQCLSA-N 385.486 0.709 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](O)CO)[C@H]1CCS(=O)(=O)C1 575426228 OZWLJLYBTLNCPL-STQMWFEESA-N 397.902 0.179 0 40 GCAB C[C@@H](CC(=O)O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 630226302 WRXGWCGGMVNEFH-JKSUJKDBSA-N 380.489 0.922 0 40 GCAB O=C1N[C@H](C(=O)O)CCC(=O)N2CCC[C@@H]2C(=O)NCCOc2ccccc21 643560495 UHMQPDJIZMPOPO-UONOGXRCSA-N 389.408 0.149 0 40 GCAB Cn1c(O)nc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc1=O 1565520858 VWPZGTLVYRSGNY-UHFFFAOYSA-N 380.408 0.634 0 40 GCAB Cn1cccc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@@H]3C2)c1=O 1565554609 CHPWEWRFIGZDAY-MAUKXSAKSA-N 375.469 0.727 0 40 GCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 2626980 AUDGLDCYIIYGFG-UHFFFAOYSA-N 394.453 0.740 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1ccccc1 5039210 MPFYGWDGKUQCFX-UHFFFAOYSA-N 378.406 0.816 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@@H]1CCS(=O)(=O)C1 6231602 LAJHBTFCNHHABM-HWPZZCPQSA-N 397.478 0.135 0 40 GCAB O=C(CNC(=O)Nc1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 6252256 YTBCVVSRLYLXCB-INIZCTEOSA-N 398.419 0.736 0 40 GCAB Cc1nn(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1S(=O)(=O)N(C)C 6586514 BGZSRPQAQAWENW-UHFFFAOYSA-N 379.442 0.488 0 40 GCAB Cn1c(=O)c2c(ncn2CCCC(=O)NCCc2ccc(F)cc2)n(C)c1=O 8128358 GPYJANWQGMLCNP-UHFFFAOYSA-N 387.415 0.712 0 40 GCAB COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cn1 8231394 HIXUMPYSRNDXGN-UHFFFAOYSA-N 392.437 0.827 0 40 GCAB CCOc1ccc(N2C[C@@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1 22664514 BISNVMTWVFNVPQ-HNNXBMFYSA-N 376.457 0.822 0 40 GCAB CC(C)[C@@H](CNC(=O)c1ccccc1CN1C(=O)CNC1=O)N1CCOCC1 23188774 QMHBBOIKUIFCHI-QGZVFWFLSA-N 388.468 0.825 0 40 GCAB COc1ccccc1N(C[C@@H](O)CNCC(=O)O)S(=O)(=O)c1ccccc1 28295657 KYLWJNKFXFXKGP-AWEZNQCLSA-N 394.449 0.926 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)CC2)CC1 30698131 JVAYLMORJWVZJG-UHFFFAOYSA-N 398.504 0.395 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C[C@@H](C)O1 48324235 GCUHFLSIRKBSAO-HUUCEWRRSA-N 399.488 0.866 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)Cc2csc(Nc3ncccn3)n2)CC1 49029417 ROKRBRFVLFAOCM-UHFFFAOYSA-N 382.471 0.323 0 40 GCAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCC[C@@H]1COC 67870917 WUVKCCCTCRNXEJ-WNRNVDISSA-N 384.590 0.918 0 40 GCAB biogenic,in-vitro CS(=O)(=O)Nc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1 70655893 QDEDUYUJAGTENE-UHFFFAOYSA-N 388.409 0.439 0 40 GCAB Cc1ccc(NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1-n1cnnn1 72309828 SIQVFTMZDMJXDU-UHFFFAOYSA-N 390.429 0.856 0 40 GCAB C[C@@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O 96023757 BDUFDLBIUJUAJE-KONKAKAUSA-N 392.360 0.241 0 40 GCAB biogenic O=C(CCn1cnc2ccccc2c1=O)NCCCc1cnc2ncnn2c1 225644663 IYWWXXCNLWCKPY-UHFFFAOYSA-N 377.408 0.973 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225800893 MAUIQBLZVRWZHE-UHFFFAOYSA-N 392.375 0.841 0 40 GCAB COc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c(Br)c1 572338821 WUQWTJJNDNFLKY-JTQLQIEISA-N 380.216 0.932 0 40 GCAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)c4ccccn4)CC3)[C@H]2C1 585106173 UZVFTKDQAGQRRK-CVEARBPZSA-N 392.525 0.939 0 40 GCAB CC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 3257327 WESPLLCLZBVARU-FQEVSTJZSA-N 384.436 0.461 0 40 GCAB COCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 4861409 WKZVUIHKMHHLAZ-AWEZNQCLSA-N 396.444 0.472 0 40 GCAB Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9119933 SAULGNSCZMOFHZ-UHFFFAOYSA-N 382.471 0.725 0 40 GCAB COc1ccccc1N1C(=S)N(CC(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 9423482 PQBDLQHMHKWXMK-QWHCGFSZSA-N 383.495 0.356 0 40 GCAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 12221168 FFVDGMGREAKIDW-TZMCWYRMSA-N 375.454 0.961 0 40 GCAB Cn1c(Cn2nnc(-c3ccccc3)n2)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 12427798 NKDPLPHOGJGISZ-NORZTCDRSA-N 399.436 0.908 0 40 GCAB COCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768871 GGNQJDDTUPJARI-UHFFFAOYSA-N 383.470 0.240 0 40 GCAB COc1cc(OC)cc([C@H](NS(=O)(=O)N2CCOCC2)c2nccn2C)c1 32900073 SYZWJUKZLMMGQF-INIZCTEOSA-N 396.469 0.693 0 40 GCAB O=C(NCCc1cccc(O)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 58172122 OEMOAJCDMWKXTB-ZDUSSCGKSA-N 379.438 0.216 0 40 GCAB Cn1cc([C@H]2CN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CCO2)cn1 97012730 WKOROYCNKJZLJI-OAHLLOKOSA-N 385.467 0.586 0 40 GCAB Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@H]2[C@@H]([C@@H](C)O)C(=O)N12 200247111 JQBKWZPHJOEQAO-FEJOFABCSA-N 397.405 0.887 0 40 GCAB COc1ncccc1CN1C[C@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@H]2C1 306135265 OMBBUBWYYWGGGV-HZPDHXFCSA-N 383.452 0.838 0 40 GCAB Cn1c(=O)c2c(nc(C(N)=O)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 408976991 HKSBXJQNPOBELH-UHFFFAOYSA-N 382.207 0.888 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1C 575422023 LTJPJKXMZORMJI-KGLIPLIRSA-N 376.500 0.237 0 40 GCAB O=C(Cn1cnc(NC(=O)c2cn3c(n2)COCC3)n1)NCc1ccccc1 585123402 DZHSAJDNCDRNGW-UHFFFAOYSA-N 381.396 0.574 0 40 GCAB C[C@@H]1NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC1=O 643566810 KJHYOFZWQQQJPW-AAEUAGOBSA-N 377.397 0.053 0 40 GCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)OC)cc1 4694027 RGLDCHLHTFAGTB-GFCCVEGCSA-N 391.467 0.436 0 40 GCAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1 6662782 CWTQUOBZXBOWGZ-UHFFFAOYSA-N 379.482 0.872 0 40 GCAB COc1cccc(-n2nnc3c(N4CCN(S(C)(=O)=O)CC4)ncnc32)c1 10256511 PGRVBQSUHVWYRR-UHFFFAOYSA-N 389.441 0.301 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 12600480 AWBMLRSYBJUJNM-AWEZNQCLSA-N 386.408 0.521 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1 16321374 CYJCRDHGXBEJHL-UHFFFAOYSA-N 384.439 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Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnn2Cc2cccs2)n(C)c1=O 9467616 JKEFALXHXUWCJQ-UHFFFAOYSA-N 399.436 0.379 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)ccc21 9879874 MMMNKBWHSPRGNY-UHFFFAOYSA-N 386.433 0.900 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)s1 24947809 QZHDVSMQPHSANF-CQSZACIVSA-N 387.527 0.610 0 40 GCAB CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1cccnc1 36359113 OUKWUXDJOMSCQG-GJZGRUSLSA-N 382.486 0.599 0 40 GCAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC(C(=O)NCCO)CC2)c1 58081833 OWBMXCZYXDBFFU-CYBMUJFWSA-N 379.457 0.851 0 40 GCAB O=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)Nc1nccs1)Nc1nccs1 640048899 FWMGDJXTMHBPEK-QWRGUYRKSA-N 378.483 0.935 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)cn1 1776009252 YPHWHRWJHHQANG-UHFFFAOYSA-N 376.364 0.740 0 40 GCAB CC(C)(CC(=O)O)CC(=O)N1C[C@H](O)[C@@H](n2c(=O)nc(O)c3ccccc32)C1 1848356363 WPKCROKFMGZYHB-KBPBESRZSA-N 389.408 0.737 0 40 GCAB O=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCCC1 1362985 PDPCCYQMQVVYJM-UHFFFAOYSA-N 390.469 0.685 0 40 GCAB CNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3516186 ZFTGOSCDDVIATI-UHFFFAOYSA-N 395.393 0.371 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 5226821 WYAXTVOEWSIHGZ-MMQJMDILSA-N 375.333 0.541 0 40 GCAB COc1cc(C2=NN(C(C)=O)[C@@H](N[C@H](CO)C(=O)O)C2)cc(OC)c1OC 5457661 WOGIMMGZDYZMLE-IUODEOHRSA-N 381.385 0.030 0 40 GCAB C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 6033880 AILOHRVWXHPFKC-JTQLQIEISA-N 375.816 0.965 0 40 GCAB COc1ccc(CC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 6424342 GHSYHLXUPVWUCR-ZDUSSCGKSA-N 385.438 0.435 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1C(=O)N1CCCC1 8560463 AGNOFCOHAAOCQZ-UHFFFAOYSA-N 381.454 0.394 0 40 GCAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 10157566 YTKRDAATJXWKEN-KBPBESRZSA-N 384.396 0.208 0 40 GCAB C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(=O)OCC)n(C)c1=O 10387136 FGRRSZYAAYCEGX-WAFBPQNNSA-N 388.428 0.793 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccn1 11906347 ANTYJDWJYCIPGB-UHFFFAOYSA-N 397.434 0.958 0 40 GCAB O=C(NCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccco1 12748711 MGYLCMOGHWHIBR-QGZVFWFLSA-N 399.403 0.520 0 40 GCAB C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NCc1ccccc1 12985791 SZXLEJSLUWDRPQ-ZDUSSCGKSA-N 389.433 0.732 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1OC 16681770 GEOPQNVNOHOXKL-UHFFFAOYSA-N 399.469 0.908 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O 19526968 YFMJFFRMSZRANS-LSDHHAIUSA-N 385.468 0.566 0 40 GCAB CCN[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2(CCCCC2)C1 19703994 NTVVMKRLPORPIV-ZDUSSCGKSA-N 384.502 0.159 0 40 GCAB Cc1cc(=O)n2nc(COC(=O)Cn3nc(O)c4ccccc4c3=O)sc2n1 21602028 YWDUHBIXVSXZJI-UHFFFAOYSA-N 399.388 0.618 0 40 GCAB CCOC(=O)/C=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1CC(=O)N(C)C 25777597 JTKRRRFBPXEIRJ-JZFIWMFJSA-N 396.415 0.449 0 40 GCAB CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 28197842 YRAOXKNEFAPZDU-UHFFFAOYSA-N 387.433 0.795 0 40 GCAB 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O=C(NCCN1CCCS1(=O)=O)C(=O)N1CC2(CCC2)c2c(F)cccc21 522516685 XEUONDUTIPULHN-UHFFFAOYSA-N 395.456 0.746 0 40 GCAB CNS(=O)(=O)NCC(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 567908366 MSRVYKIKNWYPFI-LBPRGKRZSA-N 387.531 0.010 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccc(F)cc2)C1 585291007 ZCEIMLZYYVAASV-MOPGFXCFSA-N 394.468 0.754 0 40 GCAB C[C@H](CN(C)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)O 1589031537 PPGDCDNNRLVBIP-SNVBAGLBSA-N 376.456 0.896 0 40 GCAB CCN1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[C@H](c2cn(C)cn2)C1 1614996084 YIXWZBLQEJMLBD-HZPDHXFCSA-N 385.472 0.064 0 40 GCAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC3CCCCC3)c2c1 6231282 IMPOOPXZLLCPPU-UHFFFAOYSA-N 381.458 0.559 0 40 GCAB CN1CCN(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 8073083 COQLYDIVXNHQCY-AWEZNQCLSA-N 384.477 0.505 0 40 GCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCOC 9482167 OECMPDYPXDXKIT-AWEZNQCLSA-N 376.457 0.602 0 40 GCAB Cn1cc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O 11772345 SDGOFFFPKAAOIO-CMDGGOBGSA-N 382.464 0.878 0 40 GCAB O=S(=O)(c1ccc(N2CCN(c3nccs3)CC2)nc1)N1CCOCC1 14020017 DZUIECKPRNVHOM-UHFFFAOYSA-N 395.510 0.886 0 40 GCAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C2=O 19699807 GDVOQUAORSQCOZ-GJZGRUSLSA-N 378.473 0.563 0 40 GCAB COC(=O)[C@@H](CN1CCN(CC(=O)NCC(C)C)CC1)[C@@H](O)c1ccncc1 22922036 HDRUNYUHVUKLHY-HKUYNNGSSA-N 392.500 0.294 0 40 GCAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 23371612 ZDKHZUHUYYJTHM-UHFFFAOYSA-N 395.418 0.421 0 40 GCAB Cc1ccccc1N(CC(=O)N1CCN(c2cnccn2)CC1)S(C)(=O)=O 25342983 WCIFJUFADNUXEL-UHFFFAOYSA-N 389.481 0.900 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 35307579 HSXVOZZTGCUHNQ-UHFFFAOYSA-N 392.529 0.815 0 40 GCAB O=C1C[C@H](C(=O)Nc2ccccc2F)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828128 YXCXSQYJJINGCG-JTQLQIEISA-N 387.371 0.810 0 40 GCAB CC(=O)c1ccc(NC(=O)C[C@H](CN2CCN(CCO)CC2)C(=O)O)cc1 72403325 YTBHRGZJUWLXCN-MRXNPFEDSA-N 377.441 0.529 0 40 GCAB C[C@@H]1CN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 103503547 PXVRUZJKUSGBMG-HZPDHXFCSA-N 381.498 0.629 0 40 GCAB Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNC4CCCCC4)[C@@H](O)[C@H]3O2)cn1 225517211 JPCBXLKJJOHEHL-PNDFQMOFSA-N 392.500 0.635 0 40 GCAB biogenic,in-vitro Cn1nc(C(=O)N2CCN(C3CCS(=O)(=O)CC3)CC2)c2ccccc21 238821851 CVGOIMPOXNYPAV-UHFFFAOYSA-N 376.482 0.908 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)CC1 575619240 JAVRBYMYGCQXDY-UHFFFAOYSA-N 393.513 0.674 0 40 GCAB COc1ccc([C@@H](CC(=O)N[C@@H]2CONC2=O)c2oc(C)cc(=O)c2O)cc1 1547139484 RAWNWYRHEUPVRV-ZIAGYGMSSA-N 388.376 0.731 0 40 GCAB biogenic CCCO[C@@H]1O[C@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857524249 VDBRYEIACQHBSB-USRAEIGSSA-N 376.358 0.106 0 40 GCAB O=C(CN1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@H]1CCCO1 2087065431 GPJXKJYFAQJERA-ZIAGYGMSSA-N 375.416 0.240 0 40 GCAB C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1F 4829765 VKKQEJLISROVDF-VIFPVBQESA-N 377.351 0.589 0 40 GCAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 8704490 KUVDTIYTNLAROZ-UHFFFAOYSA-N 382.442 0.503 0 40 GCAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NC[C@@H]1COCCO1 12086850 UCRIDKVPUNFUDU-OAHLLOKOSA-N 390.436 0.602 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC2=O)cc1 12408243 UFKKILJJGOPYFA-ZDUSSCGKSA-N 381.454 0.152 0 40 GCAB O=C(CN1CCN(c2ccccn2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 12973155 UVBVGLMSCKPOOD-INIZCTEOSA-N 378.498 0.382 0 40 GCAB O=C(CO)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19404175 FPRTUOJMOHTFGJ-MRXNPFEDSA-N 386.456 0.588 0 40 GCAB Cn1cc(C(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)ccc1=O 19747476 WJPAGTGVPNGNNW-UHFFFAOYSA-N 380.448 0.806 0 40 GCAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 20674095 UREZTSVZZRVLQA-CYBMUJFWSA-N 398.423 0.969 0 40 GCAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1OCC 20882187 NXCPJHIWIOLLLH-UHFFFAOYSA-N 392.408 0.906 0 40 GCAB COc1nn(C)cc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 38805700 HFPBBKXUEHSXPD-UHFFFAOYSA-N 377.426 0.746 0 40 GCAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 40121925 DCJLKXNADWRGRH-LLVKDONJSA-N 390.483 0.646 0 40 GCAB CC(C)NC(=O)CN1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 44887063 FMHHUNGAWHBYSQ-UHFFFAOYSA-N 376.486 0.826 0 40 GCAB Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)c1 49410548 NJTMVSZFDNXOHF-UHFFFAOYSA-N 391.449 0.816 0 40 GCAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCc1nnc2ccccn12 72325577 UOMVPXGOPAXKKY-CQSZACIVSA-N 378.392 0.876 0 40 GCAB biogenic O=C1NCCc2ccc(S(=O)(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)cc21 95436048 CFSCCIZAOLBWTM-CRAIPNDOSA-N 390.461 0.735 0 40 GCAB COc1cccc(CCN2C[C@@]34CN(C(C)=O)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96146018 BKUWVVKETVYUEC-SQNIBIBYSA-N 380.466 0.642 0 40 GCAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225404383 VTTMDNPBGHTVMZ-KGLIPLIRSA-N 381.502 0.780 0 40 GCAB COc1ccc(S(=O)(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 244094622 UFSABQMIVCPFFD-ZDUSSCGKSA-N 376.500 0.435 0 40 GCAB O=C(c1ccoc1)N1CCO[C@@H](Cn2nnc3c(N4CCCC4)ncnc32)C1 306135934 PEVVGQBHHVPRQV-CQSZACIVSA-N 383.412 0.956 0 40 GCAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)C3CCOCC3)CC1)CC(=O)N2C 1772596119 GGSXDAJSRXBQCE-UHFFFAOYSA-N 382.486 0.858 0 40 GCAB CCN1C[C@]2(CC1=O)CN(C(=O)CCc1ccc[nH]1)CCN(S(C)(=O)=O)C2 2055795822 DBGZPKGZGPIEEU-GOSISDBHSA-N 396.513 0.290 0 40 GCAB COCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12C(=O)Nc1ccccc12 2056708 VRJRKTVNSJMXRC-IBGZPJMESA-N 388.376 0.714 0 40 GCAB biogenic CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)c(C)c1 3027839 QJRGJQPWWOHOPP-AWEZNQCLSA-N 387.433 0.124 0 40 GCAB Cc1ccc(OC[C@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1C 4371010 SNQJRLMBGLORJZ-CYBMUJFWSA-N 387.440 0.546 0 40 GCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)C(=O)O 16899500 UTUVBQGJGHLLFS-NWDGAFQWSA-N 380.378 0.339 0 40 GCAB O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 21890863 UFEVEYBNTAFHJQ-UHFFFAOYSA-N 387.889 0.505 0 40 GCAB CC(C)[C@@H](CNC(=O)CCc1ccc(S(N)(=O)=O)cc1)N1CCOCC1 23195768 SFNDZRRWIDZBHP-QGZVFWFLSA-N 383.514 0.740 0 40 GCAB CS(=O)(=O)Nc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1 40062156 IRWSBVFLWJWOIZ-UHFFFAOYSA-N 375.472 0.212 0 40 GCAB Cc1nc2cc(-c3nccn3C)nn2c(NC[C@@H](O)CN2CCOCC2)c1C 72338522 ZXNGZUFMIGZPRW-OAHLLOKOSA-N 385.472 0.852 0 40 GCAB CC(C)(CNC(=O)c1cccnc1I)NS(C)(=O)=O 95456886 SGQIREPKBGPQJM-UHFFFAOYSA-N 397.238 0.744 0 40 GCAB CN(C)c1ncc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 96000116 MJJWAUJKYHMQNX-CQSZACIVSA-N 398.489 0.201 0 40 GCAB CCN1Cc2c(C(=O)NCCN(C)C)ncn2-c2ccccc2S1(=O)=O 96147351 QYPXWIDDMPSENT-UHFFFAOYSA-N 377.470 0.688 0 40 GCAB CNC(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@H](C)C3)ncc1CS2(=O)=O 96252037 AUKNDJOAGIAKLM-FPMFFAJLSA-N 379.486 0.749 0 40 GCAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N(C)C 102316490 OLMBAMYSSJZWPO-UHFFFAOYSA-N 382.413 0.511 0 40 GCAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC4CC4)C3)C2=O)cc1 225384177 MTPMLMIGNMQZIL-AEFFLSMTSA-N 385.464 0.464 0 40 GCAB biogenic,in-vitro COCCNC(=O)c1cn2c(nc1=O)C1(CCN(C(=O)NC(C)C)CC1)CC2 306123632 ASNVDXMPKBVTRN-UHFFFAOYSA-N 391.472 0.475 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCN1CCOCC1 408593373 NKLHKQMJZJLXSV-OAHLLOKOSA-N 391.493 0.955 0 40 GCAB COc1ccc(OCc2nnc(SCC(=O)NC[C@@H]3CCCO3)n2N)cc1 3447987 FGCLCLLRBISYTJ-AWEZNQCLSA-N 393.469 0.967 0 40 GCAB NC(=O)Cn1c(=O)c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c1=O 7027573 QUUCZROHYYLJMT-UHFFFAOYSA-N 379.376 0.535 0 40 GCAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(N)=O 12851886 CGEJOOGBWDMBOJ-NSHDSACASA-N 398.437 0.276 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]c1=O 14656013 WCZBPHQJHPOOFR-UHFFFAOYSA-N 394.453 0.599 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](CN4CCOCC4)C3)ccc21 19289844 YYESRFIFCKZTRW-AWEZNQCLSA-N 395.481 0.864 0 40 GCAB Cc1c(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cnn1C 19553993 OVRAOOKCBSVGEO-UHFFFAOYSA-N 380.474 0.527 0 40 GCAB CC(C)[C@H](NC(N)=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 21131691 IZVXFHAIARWQEC-KRWDZBQOSA-N 375.473 0.899 0 40 GCAB O=C(CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)NCC(F)(F)F 29521944 RJKCMFTVATYAAV-UHFFFAOYSA-N 383.374 0.491 0 40 GCAB Cc1c(CCC(=O)NC[C@H]2Cc3ccccc3O2)c(=O)[nH]c2c1c(=O)[nH]n2C 30683197 ZKFBKRJCOQSTTO-CYBMUJFWSA-N 382.420 0.916 0 40 GCAB C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCN1C 95457646 ASIFQSRBGDSLJE-STQMWFEESA-N 375.516 0.650 0 40 GCAB COc1ccc(S(=O)(=O)N2CC(NC(=O)N[C@@H](C)c3nncn3C)C2)cc1 96004146 HBYZUWQYLRRULI-NSHDSACASA-N 394.457 0.257 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2cnc3sccc3c2=O)CC1 225810055 YOYKSEVAJMKTLI-UHFFFAOYSA-N 384.483 0.246 0 40 GCAB COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)NS(C)(=O)=O)cc1 225957716 GPXPHCZLYGRFAM-MRXNPFEDSA-N 385.486 0.124 0 40 GCAB O=C(NCC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cnccn1 585112457 QWSZTWJTOLFZES-GFCCVEGCSA-N 376.442 0.342 0 40 GCAB CCOc1ccc(-c2cn(C3CN(C(=O)C4(n5cnnn5)CC4)C3)nn2)cc1 613329004 DGALANIWPAUDCB-UHFFFAOYSA-N 380.412 0.903 0 40 GCAB COc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 928631 OXHPMFLUGMMHHB-UHFFFAOYSA-N 389.437 0.710 0 40 GCAB COC(CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)OC 1330370 DUWYCXWVMDMPDQ-UHFFFAOYSA-N 380.488 0.518 0 40 GCAB Cn1cc(I)c(C(=O)NCCCN2CCCC2=O)n1 2771121 SHYJYIHBNLMBKI-UHFFFAOYSA-N 376.198 0.767 0 40 GCAB COc1ccc(NC(=O)CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 8186255 FCYPIYGXZPLRTL-UHFFFAOYSA-N 396.403 0.796 0 40 GCAB CCOC(=O)N1CCN(C(=O)CNC(=O)N2CC(=O)Nc3ccccc32)CC1 8769318 OOGXGZWMOLOLJP-UHFFFAOYSA-N 389.412 0.455 0 40 GCAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC[C@@H]2CCCO2)n1 9038055 KISRERKKEQRWEW-ZDUSSCGKSA-N 388.428 0.450 0 40 GCAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CC(=O)O 12296598 AQGLDCWMLUMROP-UHFFFAOYSA-N 381.392 0.785 0 40 GCAB biogenic CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O 12603576 FVBCSNDRIAAOOI-IZZBFERCSA-N 398.459 0.954 0 40 GCAB biogenic,in-vitro CCCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 14122744 HSTYUQZAJHDVTG-HNNXBMFYSA-N 375.473 0.867 0 40 GCAB C[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(S(N)(=O)=O)cc1 14138447 JYLJYNROSYEDLN-VIFPVBQESA-N 382.471 0.625 0 40 GCAB CCOC(=O)[C@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 15350691 DVZZPJOKNZRWLH-HNNXBMFYSA-N 397.497 0.268 0 40 GCAB NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20610572 HSQVISLGEAFQOG-CCFTVXDOSA-N 396.447 0.615 0 40 GCAB biogenic CCc1nn2c(=O)cc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc2s1 22931888 VTRNAOMTFOYBOA-ZDUSSCGKSA-N 397.526 0.018 0 40 GCAB Cn1c(=O)c2c(nc(N)n2C[C@H](O)COc2ccc3ccccc3c2)n(C)c1=O 23115300 CDFCGJMKZMREKR-AWEZNQCLSA-N 395.419 0.609 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)CC1 32907639 PIAFBSGXCGZHBO-UHFFFAOYSA-N 388.515 0.604 0 40 GCAB COc1ccc(CCNC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1 36370066 UFASEIUDXYDGSR-UHFFFAOYSA-N 394.431 0.880 0 40 GCAB biogenic CC1(C)CC(NC(=O)c2nc(CC(=O)N3CCOCC3)no2)CC(C)(C)N1 44920371 RUFUPKQGSBRIDW-UHFFFAOYSA-N 379.461 0.510 0 40 GCAB O=C([C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)N1CCOCC1 52518743 DTXVOHRNJLQWOT-SFHVURJKSA-N 391.493 0.668 0 40 GCAB CON(C)C[C@H](O)Cn1cc(NC(=O)c2cn(-c3cccc(C)c3)nn2)cn1 95456506 OMXRFJFCJPEKID-INIZCTEOSA-N 385.428 0.879 0 40 GCAB COc1cccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)c1 96143338 WKMDMJZIYHPFRQ-HXUWFJFHSA-N 388.468 0.570 0 40 GCAB COc1cccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 220175178 FUAGZSUPXDFAJG-CQSZACIVSA-N 385.486 0.298 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 247498020 DQKRFCBIXVZEEL-CQSZACIVSA-N 377.470 0.783 0 40 GCAB COc1cc(C)nc(N2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)n1 603933838 ROSXPFJOUIYCCU-UHFFFAOYSA-N 390.532 0.905 0 40 GCAB Cn1cc(CN2C[C@@H]3OCCS(=O)(=O)N(Cc4cccc(F)c4)[C@@H]3C2)cn1 1534645871 OEJBZRFYJDHXNI-MSOLQXFVSA-N 394.472 0.974 0 40 GCAB O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCOC1)CC2)c1cscn1 1614940564 GWMXZFNTFTUDRP-LLVKDONJSA-N 389.437 0.009 0 40 GCAB CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)N2CCCC2)CC3)C1=O 2055796103 VYPPWXKCCBKBGQ-SFHVURJKSA-N 398.529 0.408 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccccc1F 2332242044 YLNUYFOYIMWYAO-BQFCYCMXSA-N 376.432 0.252 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(C)C)CC2=O)cc1 4086341 DVLVMDXWSNOKFU-GRDNDAEWSA-N 391.468 0.686 0 40 GCAB biogenic CC(C)CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 4357260 BWPCSVOBSGCXAG-MRXNPFEDSA-N 397.497 0.702 0 40 GCAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 4861053 AVCYCHKWRYXQQT-AWEZNQCLSA-N 392.485 0.979 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccccc2-n2cnnn2)NC(=O)N[C@H]1C 9639759 OHOUYAUGQBHGQO-JTQLQIEISA-N 386.368 0.338 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20566522 CNPXUJXMQKDTRH-XTDOFWJNSA-N 375.400 0.849 0 40 GCAB COCc1ccccc1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23132395 GNVHGWVXRTYZQQ-OAHLLOKOSA-N 393.465 0.615 0 40 GCAB COCCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209759 KRIVIISAYTZTQR-CQSZACIVSA-N 384.454 0.836 0 40 GCAB O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(C2CC2)C1 29653748 VLTGOCAETIOILQ-CYBMUJFWSA-N 376.457 0.758 0 40 GCAB CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 52487637 OPJZIORXEZEZKU-KRWDZBQOSA-N 396.513 0.570 0 40 GCAB COc1nn(C)cc1C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70933263 NDHOLUHQMMCTTM-UHFFFAOYSA-N 393.469 0.654 0 40 GCAB C[C@H](C(=O)N1CCOCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326425 IOOYEBIYOVWXHR-BFUOFWGJSA-N 387.440 0.193 0 40 GCAB CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)CC1 284904539 ARFONJZVUVNVSR-UHFFFAOYSA-N 397.497 0.868 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)NCCOc2ccccc2)CC1 575615150 FQCMKPROMKQWTB-UHFFFAOYSA-N 384.502 0.883 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)[C@@H]1CCOC1)C2 1565555658 MJQUUZCMVITWPZ-RDTXWAMCSA-N 377.466 0.951 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 1614932001 SKCKKGXRTKUKJR-SFHVURJKSA-N 379.482 0.857 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-c3ccccc3)nc2)NC(=O)NC1=O 1616035251 XEVITWRHEIEZEL-HXUWFJFHSA-N 390.403 0.947 0 40 GCAB CS(=O)(=O)CC(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055704361 WGZJZPRVLKUIBA-UHFFFAOYSA-N 390.465 0.884 0 40 GCAB Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)c1 2055717990 RUFRCJPUMHOIGK-NFAWXSAZSA-N 394.453 0.469 0 40 GCAB O=C(c1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2 2332242995 XRELRFLMOIXHTL-INIZCTEOSA-N 398.456 0.166 0 40 GCAB CCn1ncc(NC(=O)c2nc3ncccn3n2)c1C(=O)Nc1cnn(C)c1C 2808988 UWPOSYZUUBNZCL-UHFFFAOYSA-N 394.399 0.887 0 40 GCAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 3016109 SIPRNKRSQCQEHY-MRXNPFEDSA-N 395.481 0.599 0 40 GCAB COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 4898440 YCALEEWLOOJEGH-UHFFFAOYSA-N 386.470 0.867 0 40 GCAB CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@H]2CS(=O)(=O)C[C@@H]21 8993496 WJTDZOVUEVKSCS-STQMWFEESA-N 384.479 0.831 0 40 GCAB CCn1cc([C@H]2C[C@H](C(=O)NCc3ccccn3)N(C)S(=O)(=O)N2)c(C)n1 12088689 AZWKRLWWAIUYBT-HZPDHXFCSA-N 392.485 0.502 0 40 GCAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCCC1 13719904 UEJGOXYMZTUPSY-UHFFFAOYSA-N 388.467 0.936 0 40 GCAB Cc1cccc2c(C[C@H](C)NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)c[nH]c12 19236630 CMSZIXVNBHKHLL-LBPRGKRZSA-N 394.435 0.960 0 40 GCAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)nc(N2CCCCC2)n1 19718716 BSBXMFOCVVNWFW-UHFFFAOYSA-N 386.456 0.932 0 40 GCAB CN(C)C(=O)[C@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 95349245 BSTWENNYPYPAFQ-CABCVRRESA-N 375.404 0.325 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](CO)CCSC)C2=O)cc1 95971206 FFNSTDXTYPDIBG-UGSOOPFHSA-N 395.481 0.692 0 40 GCAB Cc1ccc2nc(COC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc(=O)n2c1 102957124 OKOFIGHBOSVBOJ-GJZGRUSLSA-N 381.388 0.997 0 40 GCAB CCN1CCN(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)C(=O)C1=O 225783449 OYRJNAUCYGRGCP-UHFFFAOYSA-N 387.371 0.002 0 40 GCAB COc1ccccc1S(=O)(=O)N1CCN(C2CCS(=O)(=O)CC2)CC1 238838276 HFXRWEMRFSTYQU-UHFFFAOYSA-N 388.511 0.579 0 40 GCAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@]1(O)CCc2ccccc2C1 585080945 BZEUSIGWQPMQIW-LJQANCHMSA-N 378.494 0.979 0 40 GCAB CC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O 585270393 VTOCOBLJJVBNBD-BHIYHBOVSA-N 388.468 0.431 0 40 GCAB CCC1(CO)CCN(C(=O)[C@H]2CC(=O)N(CCOC)[C@@H]2c2nccn2C)CC1 1615548027 MPNINYBEDGJPES-RDJZCZTQSA-N 392.500 0.967 0 40 GCAB Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 1630042473 NIAHGHQIIFQUIS-HOCLYGCPSA-N 384.440 0.595 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)Nc1ccc(F)cc1 7988176 KABGTVYIOWBKOU-SWLSCSKDSA-N 385.461 0.778 0 40 GCAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(-n2cnnn2)cc1 9723992 KKGJSNZYEKASIN-UHFFFAOYSA-N 377.368 0.867 0 40 GCAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1 12794441 YXSDCSIPPRIHMQ-UHFFFAOYSA-N 383.451 0.597 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2=NN(C)C(=O)CC2)cc1 21933842 MEVBRAMAMMFQSH-UHFFFAOYSA-N 380.470 0.942 0 40 GCAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1 22251692 KUFILSMFMJYXIV-UHFFFAOYSA-N 385.486 0.543 0 40 GCAB COc1ccc(CN(C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 32750402 PIJYNXOTWAOJEF-CQSZACIVSA-N 393.465 0.819 0 40 GCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 36359195 XKMNJAGSQKEPKC-WFASDCNBSA-N 397.453 0.865 0 40 GCAB CN1C(=O)c2ccc(C(=O)NCCNC(=O)c3ccccc3)cc2S1(=O)=O 40153329 OFMMJEKFMFVUKN-UHFFFAOYSA-N 387.417 0.621 0 40 GCAB CC(=O)N1CC(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1 70811707 VJSAUZAQKAZUTD-UHFFFAOYSA-N 375.410 0.694 0 40 GCAB O=C(N1CCOCC1)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225424328 IGWBVHSSYBZVPT-UHFFFAOYSA-N 396.513 0.711 0 40 GCAB biogenic,in-vitro COc1ccc(O[C@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nn1 225435849 SMIMTKVUFRIIQO-ZDUSSCGKSA-N 384.458 0.137 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cccnc2N)CCO1 585282964 KTPXTRNHOHBLLO-LJQANCHMSA-N 388.399 0.969 0 40 GCAB OC[C@@H]1O[C@@H](n2cnc3c(SCc4ccccn4)ncnc32)[C@H](O)[C@@H]1O 4823427 MYLPTWRLZBDWTN-MZXFEWSRSA-N 375.410 0.125 0 40 GCAB Cc1ccccc1-c1nnn(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)n1 7082260 ZFHSHQDCDWOOPX-AWEZNQCLSA-N 375.454 0.827 0 40 GCAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 8298283 DXYLHKJYJLLPTP-OLMNPRSZSA-N 385.468 0.806 0 40 GCAB biogenic,in-vitro C[C@H](OC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(N)=O 11053101 ZAGZEFHMQCZRSS-QMMMGPOBSA-N 386.334 0.777 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2ccno2)C1 19573784 PBUDTQOAQXAWMN-JTQLQIEISA-N 376.398 0.536 0 40 GCAB COCC(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19592981 CSPSOIXALFAOSW-INIZCTEOSA-N 390.415 0.792 0 40 GCAB COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 23421660 OCAATHWUALYTEF-UHFFFAOYSA-N 397.497 0.540 0 40 GCAB CC(C)C(=O)NCCNC(=O)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 25602518 YFKDZJNKJVGCGN-GJZGRUSLSA-N 381.473 0.857 0 40 GCAB O=c1n(CN2CCC(NS(=O)(=O)c3cccs3)CC2)nc2ccccn12 27535043 RFPRIWFKSABLEY-UHFFFAOYSA-N 393.494 0.958 0 40 GCAB C[C@H](CN1CCOCC1)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 46884887 WYCAUUGWSLVMKS-VLIAUNLRSA-N 386.452 0.217 0 40 GCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3cccc(Br)c3)CC2)N1 54535485 PZFSLUANQRYZOT-UHFFFAOYSA-N 388.243 0.812 0 40 GCAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)n1c(=O)n(C)c(=O)n12 101049943 ACGXSQJLMRJFPD-IUCAKERBSA-N 377.011 0.837 0 40 GCAB COc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102319304 HYYQJTCOMOYECN-IYBDPMFKSA-N 386.404 0.806 0 40 GCAB Cc1noc(C)c1CC(=O)N1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 257278899 OECQUQXOAIXFOD-ZDUSSCGKSA-N 397.435 0.796 0 40 GCAB Cn1ccc(CC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 585101189 MEQKKDKVVFKFRV-HXUWFJFHSA-N 396.451 0.812 0 40 GCAB CN1CCN(C(=O)[C@H]2CN(C(=O)C3CC(F)(F)C3)Cc3ncnn3C2)CC1 1614935919 YKJUSWHUTVLNSN-ZDUSSCGKSA-N 382.415 0.056 0 40 GCAB CC[C@H](c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1)N(C)C 2638569 WBLSQMGSRJUSEP-GHMZBOCLSA-N 376.504 0.820 0 40 GCAB CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O 8723504 RCAFGHWWJAPDMZ-CQSZACIVSA-N 383.470 0.790 0 40 GCAB CNC(=O)c1nn(CN2CCN(c3ccccn3)CC2)c(=O)c2ccccc12 12878563 ALAUAYIIWBNCOR-UHFFFAOYSA-N 378.436 0.931 0 40 GCAB O=C(NCCN1CCOCC1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 14246926 ROMUEBMKDDRGQT-UHFFFAOYSA-N 394.431 0.741 0 40 GCAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)cc(S(N)(=O)=O)c1C 21977751 IOBYABDOBLDDIB-JTQLQIEISA-N 383.426 0.484 0 40 GCAB Cc1cc(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)on1 22613263 JJKWLHLNRGIRLW-SNVBAGLBSA-N 385.471 0.820 0 40 GCAB CCOC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC3CC3)CC2)nc1 26136804 UJUSWTTUMDXYRR-UHFFFAOYSA-N 375.429 0.369 0 40 GCAB Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCC(C)CC2)cc1 30879783 BXROCECJPOFTLR-YDZRNGNQSA-N 398.525 0.494 0 40 GCAB biogenic,in-vitro Cc1noc(C)c1CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 38679363 OBTVKWWXVCNDEI-UHFFFAOYSA-N 384.502 0.607 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(CCCn2cnc3c(N)ncnc32)CC1 63517803 GAZTYGCYROFTAD-UHFFFAOYSA-N 396.521 0.003 0 40 GCAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cnn(-c2ccccc2)n1 71892624 REDQGOLZWDGWPG-SJORKVTESA-N 389.481 0.649 0 40 GCAB CC[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCN1C[C@@H](C)O 95433268 YZKBRGACOHLXBZ-CABCVRRESA-N 398.529 0.716 0 40 GCAB O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95474298 ODBWLBUYKZPFOO-GFCCVEGCSA-N 375.404 0.503 0 40 GCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)NC3C4CC5CC(C4)CC3C5)cnc2[nH]1 95964427 WZAFFNCPXHBAHV-UHFFFAOYSA-N 376.438 0.714 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@]2(CNC(=O)C2)C1 96143292 FZWLJMNPDRDURP-MRXNPFEDSA-N 385.873 0.699 0 40 GCAB COCCNC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 96156743 OWFXYVLGIAVUMZ-AWEZNQCLSA-N 389.460 0.076 0 40 GCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCCN1C(=O)c2ccccc2C1=O 101503929 DZPNMEMSYIABDQ-GASCZTMLSA-N 382.372 0.777 0 40 GCAB O=C(NCCO)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408973756 UUQNVHMUBYCOTB-UHFFFAOYSA-N 391.287 0.958 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)c2ccccc2C)CC1 2055745838 GVMNXANYTLZAAR-UHFFFAOYSA-N 391.497 0.532 0 40 GCAB CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2[S@@]1=O 1322848 AYTKEKBIWRHMGU-DKTGONNZSA-N 375.038 0.635 0 40 GCAB biogenic CC(=O)NCCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2975302 NVMMGFJROCJNMG-UHFFFAOYSA-N 378.410 0.430 0 40 GCAB CCn1c(=O)n(CC(=O)NCCOC)c(=O)c2c3c(sc21)COC(C)(C)C3 6764322 SJLQULROEXUTFT-UHFFFAOYSA-N 395.481 0.859 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccc[nH]2)[C@H](C)O)cc1 9724132 AJMVEGGDIKIXIA-LRDDRELGSA-N 380.422 0.777 0 40 GCAB C[C@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 13512415 OJBDNYRDCBDTII-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)N(C)C)CC3)CC2=O)cc1 19581229 CWAZSBFHDBCGKL-HNNXBMFYSA-N 388.468 0.281 0 40 GCAB NC(=O)c1cncnc1CC1CCN(C(=O)COC[C@H]2CCCCO2)CC1 19757057 JBVZMPGRTWPTQB-OAHLLOKOSA-N 376.457 0.942 0 40 GCAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929814 ULPSCKBCGUOCHJ-UHFFFAOYSA-N 397.497 0.738 0 40 GCAB COc1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)c(OC)c1OC 23247685 NOHMGLXFLBVNKF-UHFFFAOYSA-N 393.484 0.689 0 40 GCAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23317467 JJIZGYOUUFBZBT-UONOGXRCSA-N 379.482 0.964 0 40 GCAB O=C(CCN1CCN(c2ncccn2)CC1)N1CCN(c2ccccn2)CC1 32776706 VBGWUOYTTVVDEJ-UHFFFAOYSA-N 381.484 0.733 0 40 GCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 47031754 DXPAJYKMOLCAPG-AWEZNQCLSA-N 376.456 0.509 0 40 GCAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1C 49545410 MWXYKEBPGXKNLU-UHFFFAOYSA-N 384.440 0.965 0 40 GCAB CC[C@H](C)C(=O)NCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 58224860 JKBHOEZNNLZDIV-NSHDSACASA-N 375.878 0.897 0 40 GCAB CC(=O)c1ccc(NC(=O)C[C@@H](CN2CCN(CCO)CC2)C(=O)O)cc1 72403324 YTBHRGZJUWLXCN-INIZCTEOSA-N 377.441 0.529 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)Nc1ccc2c(c1)OCCO2 96025207 BVJUGQXYZKDYKX-UHFFFAOYSA-N 383.368 0.417 0 40 GCAB CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(S(=O)(=O)N(C)C)CC2 96086827 GGBJPJCFICYGSM-UHFFFAOYSA-N 395.529 0.812 0 40 GCAB CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cc(-c3ccncc3)nn2C)C1=O 101754242 PYVPHMAPZAQLKO-CYBMUJFWSA-N 384.396 0.073 0 40 GCAB COCCOc1cc(CN[C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OC 257220391 DKPZBHMIPUHNJO-BRWVUGGUSA-N 382.457 0.153 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(CC)cc1 575420755 KGUMGWILDTYOFA-UONOGXRCSA-N 390.483 0.439 0 40 GCAB CC(C)(C)c1nnc(C(=O)NC[C@H](CO)NC(=O)c2nnc(C(C)(C)C)o2)o1 585138302 CPZHSTOXEPVXNM-SECBINFHSA-N 394.432 0.568 0 40 GCAB CC(C)N(C)C[C@@H]1CO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1565546633 BFYYYJRQMPWQSM-XLIONFOSSA-N 377.485 0.823 0 40 GCAB O=C([C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCSCC1 2086860509 WWTDHCHUNAFBPV-AWEZNQCLSA-N 382.486 0.740 0 40 GCAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 2104411 QKXJNTODKDYYQR-NSHDSACASA-N 390.392 0.830 0 40 GCAB biogenic CCN1c2nc3ccccn3c(=O)c2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C 2342651 OABQLKSJXLZUJF-NSHDSACASA-N 383.408 0.502 0 40 GCAB O=C(O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9134270 QRLVPGYILQWNRB-SNVBAGLBSA-N 398.466 0.683 0 40 GCAB NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc2c(c1)OCCO2 9827636 KEJHKZKZZHBAOF-UHFFFAOYSA-N 378.410 0.363 0 40 GCAB COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 16839576 SNZHEORRGPPTMX-UHFFFAOYSA-N 378.385 0.876 0 40 GCAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCOCC3)ccc2c1=O 20117018 CHZUYBUGIZFRHM-UHFFFAOYSA-N 388.468 0.942 0 40 GCAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 35898187 NQCSGJKNBZCZRS-ATLSCFEFSA-N 386.404 0.714 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)no1 36410203 VWVPKQXENZUURJ-UHFFFAOYSA-N 396.407 0.616 0 40 GCAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(N)=O)c2ccccc12 39556523 UVZJKLAREODZFL-AUWJEWJLSA-N 386.433 0.699 0 40 GCAB COC(CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)OC 72326459 YYUBYKTXHPOZEG-IBGZPJMESA-N 390.440 0.286 0 40 GCAB CCCCN(C)S(=O)(=O)NCCCN(C)S(=O)(=O)N(C)CCCC 79048789 HHLUSDQLOKHZBR-UHFFFAOYSA-N 386.584 0.851 0 40 GCAB O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 97123637 GAJPZBJKMFTPCJ-UHFFFAOYSA-N 389.480 0.965 0 40 GCAB CN(C)C(=O)c1ccc(=O)n(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c1 257250229 JLQXQLIMTIIFEJ-HXUWFJFHSA-N 398.507 0.729 0 40 GCAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)CCO)cn1 257320531 VXFILZUCNBSVQH-ZRNYENFQSA-N 385.464 0.993 0 40 GCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3nccs3)C2)C1 514290226 VHCFKIIKSVHWBX-JKSUJKDBSA-N 385.493 0.684 0 40 GCAB biogenic,in-vitro O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1cccnc1 575404221 MBHFRHAZQUMCKB-QJPTWQEYSA-N 379.360 0.608 0 40 GCAB CCn1cc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)cn1 1565541715 ORYFLHHLYIOGIE-FUHWJXTLSA-N 375.429 0.567 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@]3(CO2)CN(Cc2nccs2)CCO3)C1 2056226285 OLVRSMOPDDTOBQ-LBTNJELSSA-N 394.497 0.227 0 40 GCAB Nc1nc(CSc2nnnn2Cc2ccccc2)nc(N2CCOCC2)n1 1068393 JOKYJFYAPIDNBE-UHFFFAOYSA-N 385.457 0.618 0 40 GCAB Cn1cnnc1Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 4225988 UGJRYVQWRXBYLY-UHFFFAOYSA-N 383.437 0.946 0 40 GCAB Cn1c(=O)c2sc3c(c2n(CC(=O)N2CCOCC2)c1=O)COC(C)(C)C3 6760445 KGVHHFRUFYNQAV-UHFFFAOYSA-N 393.465 0.472 0 40 GCAB NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 8843953 SARQYUFODMLSQS-UHFFFAOYSA-N 384.439 0.335 0 40 GCAB COc1cc(OC)c2cc(C(=O)NCc3cc(=O)n(C)c(=O)n3C)n(C)c2c1 9061329 QFTGNYMTNJXWFU-UHFFFAOYSA-N 386.408 0.523 0 40 GCAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccco1)CS(=O)(=O)C2 10250672 LVECGGKZRWFHQY-UHFFFAOYSA-N 380.426 0.914 0 40 GCAB CCOC(=O)[C@@](NC(=O)c1ccco1)(NN1CCN(C)CC1)C(F)(F)F 19168526 VVHXASPKFUVYIL-CQSZACIVSA-N 378.351 0.583 0 40 GCAB O=C(CN1CCN(CCn2nc3ccccn3c2=O)CC1)N1CCCCCC1 26909292 ARZPOJPHCJGUBR-UHFFFAOYSA-N 386.500 0.516 0 40 GCAB COc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 28647881 YUPMHVHUPBAVAS-SCFUHWHPSA-N 387.396 0.059 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccc1 32095970 ROCUZNMKOZJIOW-QGZVFWFLSA-N 387.461 0.882 0 40 GCAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 32929921 NKIJIXWCRLWNOS-LBPRGKRZSA-N 379.438 0.050 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@]2(C[C@]1(C)O)NNC(=S)N2 35323712 JAOODCGAHPLYJW-AVKPWTQGSA-N 393.465 0.182 0 40 GCAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)o1 40094606 IGJBPKNGIAFKIO-UHFFFAOYSA-N 394.409 0.393 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1cccs1 65237551 VVTRFIJZXQEPJH-UHFFFAOYSA-N 397.478 0.247 0 40 GCAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 70635574 FXNNKZWYINEYAT-UHFFFAOYSA-N 387.440 0.743 0 40 GCAB CN1CCC(=O)Nc2cc(C(=O)NCCS(=O)(=O)NCC3CCC3)ccc21 95405485 GXQIXXTUWCWZPH-UHFFFAOYSA-N 394.497 0.914 0 40 GCAB CC(=O)c1cc(F)c(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1F 95944143 UHAYOVWWXFZPCZ-UHFFFAOYSA-N 391.327 0.505 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 224138763 HAWYHDYHFLCOFG-UHFFFAOYSA-N 389.441 0.778 0 40 GCAB Cc1nc2c(c(N3CCC(NS(=O)(=O)N4CCOCC4)CC3)n1)CCCC2 225740440 UFZOHVYFSQAYAY-UHFFFAOYSA-N 395.529 0.799 0 40 GCAB CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O 245377217 IZDFHHVPNPDEDP-HZSPNIEDSA-N 398.504 0.907 0 40 GCAB CCc1ncncc1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 527138755 DBOOJIXZYCQLRJ-UHFFFAOYSA-N 395.407 0.630 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cccnc2N)CCO1 585282963 KTPXTRNHOHBLLO-IBGZPJMESA-N 388.399 0.969 0 40 GCAB N[C@@H](CCC(=O)O)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 585285363 OSJWHNIRZLTCPV-NVALYEJGSA-N 389.452 0.409 0 40 GCAB NCCCC[C@H](N)C(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 585285778 RUYCPNUEVZOUEF-NYUBLWNDSA-N 388.512 0.674 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 626301815 YCNQOZDHKFUBLN-OAHLLOKOSA-N 391.453 0.926 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(F)cc3nc[nH]c23)CCO1 681942508 LSMVAIIGGQBTQR-LBPRGKRZSA-N 378.360 0.476 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)C(=O)C2)cc1C(N)=O 1565523522 QUNBQDFUBPGECV-UHFFFAOYSA-N 390.421 0.227 0 40 GCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)C3(F)CCC3)C1)OC2 1565555281 DYYZCVHTFVOQDF-KRWDZBQOSA-N 377.420 0.954 0 40 GCAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)CCS(C)(=O)=O)CC1 2055747718 ODWNCKCBSWUATM-UHFFFAOYSA-N 397.497 0.649 0 40 GCAB CC(C)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)O 4025661 CZUIZHWORLDXSN-HIFRSBDPSA-N 379.413 0.772 0 40 GCAB biogenic O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCN(c2ncccn2)CC1 7136928 PSVJHDXVZWHWTG-UHFFFAOYSA-N 380.408 0.219 0 40 GCAB COc1ccc(CNC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1OC 9483741 YVQOGJYQTHBWLX-LBPRGKRZSA-N 381.454 0.994 0 40 GCAB COc1ccc([C@@H]2C[C@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)cc1OC 12129919 XTJMXACPBIOLNS-UONOGXRCSA-N 399.469 0.142 0 40 GCAB O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccc2c(c1)OCO2 12388977 QVXZDXIIVDAXSH-UHFFFAOYSA-N 390.377 0.660 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(Cl)c1 13640107 DHVRIOIHHNCQHE-CABCVRRESA-N 392.843 0.820 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1C 15940600 MJWXXCNBCHIOOP-GFCCVEGCSA-N 389.408 0.787 0 40 GCAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 16552276 RZUYICCFWFSHFT-SECBINFHSA-N 377.422 0.801 0 40 GCAB CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)CC)C2 19498849 KQFPLMBLPNMRTQ-CQSZACIVSA-N 382.486 0.941 0 40 GCAB CN(C)S(=O)(=O)NCC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 19716792 JEPNGIKVESDXDW-UHFFFAOYSA-N 379.364 0.927 0 40 GCAB CNC(=O)c1cc([C@H]2CN(CC(=O)NCCOC)CCO2)nc2ccccc12 19762429 JPYVLPRUJYONKP-GOSISDBHSA-N 386.452 0.730 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccc(O)cc1 32073896 QZHBVZVBSRRSNF-INIZCTEOSA-N 389.433 0.910 0 40 GCAB Cc1noc(C)c1S(=O)(=O)NCCOc1cc(N2CCOCC2)ncn1 35598395 ZNCVGGINYSKDGM-UHFFFAOYSA-N 383.430 0.275 0 40 GCAB COc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 40283461 OHKINZAJCBERRE-AWEZNQCLSA-N 391.449 0.564 0 40 GCAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 48332838 YATHBJDHVWBGGD-KRWDZBQOSA-N 381.498 0.678 0 40 GCAB CCNC(=O)CN(CC)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 58415462 QZDZYPQEYHHACN-UHFFFAOYSA-N 375.878 0.993 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 105354290 QVYSYXNAPWSMPT-POKHYADKSA-N 375.400 0.727 0 40 GCAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC(S(=O)(=O)c3nncn3C)C2)c1C 252500848 TWMZZAJUODAJOY-UHFFFAOYSA-N 398.510 0.896 0 40 GCAB Cc1cc(=O)n(CC(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cn1 575613929 YGDAFZOWPWVUTG-UHFFFAOYSA-N 395.416 0.008 0 40 GCAB C[C@@H](C(=O)NCCn1nc(-n2cccn2)ccc1=O)n1nc(C2CC2)ccc1=O 575621622 ZTYNSXKWYQULIW-ZDUSSCGKSA-N 395.423 0.241 0 40 GCAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(S(=O)(=O)c1cccnc1)CC2 585096238 CQNLTEZPUYRYLU-GFCCVEGCSA-N 379.442 0.420 0 40 GCAB CC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@H](CO)C1 585284412 RQGXVJXBMKBAHO-KRWDZBQOSA-N 379.476 0.930 0 40 GCAB O=S(=O)(c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1)N1CC[C@@H](O)C1 1188770577 ULWHSYDCDJVRNL-SSDOTTSWSA-N 377.337 0.875 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(c5ncncc5F)C[C@H]4C3)ncnc21 1888906688 NOTRGXMCQQGLSB-BETUJISGSA-N 384.419 0.974 0 40 GCAB CC(C)[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 7004092 CWDLZFHJAICBLK-CYBMUJFWSA-N 396.469 0.900 0 40 GCAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NC[C@H]1CCCO1 9660569 QKQWONHDOYVPNY-MRXNPFEDSA-N 394.431 0.902 0 40 GCAB COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCOCC2)s1 15941961 LJNHMOLKSONYSX-UHFFFAOYSA-N 384.439 0.820 0 40 GCAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(N)=O)Oc2ccccc21 30946370 HQHSNAWSGDPXCE-HNNXBMFYSA-N 375.406 0.951 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCNC[C@@H](Cc2cc(N(C)C)ncn2)C1 72355220 FAGYLRMLQKLVGD-CQSZACIVSA-N 394.501 0.600 0 40 GCAB Cc1nc(OCC(=O)N2CCN(c3ncccn3)CC2)cc(-n2cccn2)n1 90607704 LTPAUUYQFNZXPZ-UHFFFAOYSA-N 380.412 0.488 0 40 GCAB Cc1cc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)[nH]n1 96002437 FVRHJFMHSNAWSG-MRXNPFEDSA-N 385.472 0.713 0 40 GCAB O=C(Cn1ncccc1=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220865531 BBGGDODPETWVPP-CYBMUJFWSA-N 381.396 0.565 0 40 GCAB CS(=O)(=O)NC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2cncn21 247559706 YIBYQKFAGQWQPH-HNNXBMFYSA-N 378.454 0.785 0 40 GCAB O=C(c1cc2c(nc1O)CCC2)N1CCC[C@@](O)(CN2CCOCC2)CC1 257204865 AWPZFCQIEBRCMU-FQEVSTJZSA-N 375.469 0.965 0 40 GCAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccccc3)CC[C@@H]2O)CC1 257217826 DATVROLAEJUHME-OALUTQOASA-N 375.469 0.581 0 40 GCAB O=S(=O)(NC[C@@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1)C1CC1 306133888 MYONUCVLEIWMOK-LBPRGKRZSA-N 378.458 0.192 0 40 GCAB O=C(CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)C(F)(F)F)C2)N1CCCC1 575406640 ZFRMGDAGZVTQFP-LLVKDONJSA-N 386.392 0.708 0 40 GCAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC(N)=O)c1C 3363905 MPYMTZZWESIZTM-QWHCGFSZSA-N 399.469 0.714 0 40 GCAB CCOC(=O)CNC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 4853659 JIPPXUBIMSFORZ-UHFFFAOYSA-N 375.403 0.708 0 40 GCAB Cn1c(=O)c2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cnc2n(C)c1=O 12817117 BQAQETXKRUSPDV-INIZCTEOSA-N 393.447 0.637 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 14101394 BOPJVRUKZGOJSR-UHFFFAOYSA-N 395.481 0.054 0 40 GCAB C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 19457011 GBDFGYTWDXMMBV-HUUCEWRRSA-N 391.497 0.963 0 40 GCAB CN1C[C@H](C(=O)NCCc2cc(N3CCOCC3)nc(NC3CC3)n2)CC1=O 19587394 KMDXDWVNOUIZRF-CYBMUJFWSA-N 388.472 0.025 0 40 GCAB Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c(C)c1 20567918 SZAFIBMLSVVDBS-UHFFFAOYSA-N 383.514 0.908 0 40 GCAB CCOC(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)CC(C)C 31700591 LLDQLBTZEKPWHI-GFCCVEGCSA-N 388.490 0.824 0 40 GCAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)cn2)n1 46310641 BYACASIYCGPFFD-OAHLLOKOSA-N 377.470 0.924 0 40 GCAB CN1CCN(C[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)CC1 58156257 LAJLETNNRDFBQX-SCLBCKFNSA-N 382.411 0.340 0 40 GCAB CCOC(=O)CNC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 67239735 WZGNRZOPQMDBGH-UHFFFAOYSA-N 385.376 0.484 0 40 GCAB NC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)O)cc2)c1 95424296 RXPGTRGUNDUMNI-UHFFFAOYSA-N 391.405 0.078 0 40 GCAB CCn1cnnc1CNC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 95444198 XLAMUWPFNWUHEL-ZDUSSCGKSA-N 381.481 0.648 0 40 GCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257270178 MTBMTMCPRDCVFY-LBPRGKRZSA-N 391.453 0.908 0 40 GCAB Cc1nc2ncnn2c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1C 301335873 GIPGJHCQYNVWQW-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB CN1CCN(CC(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 585111975 JRCMYTFKVVZEAL-IBGZPJMESA-N 383.496 0.909 0 40 GCAB O=C(Nc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243278 XHHPHLFEOIWFCZ-HNNXBMFYSA-N 376.438 0.983 0 40 GCAB CCn1ncc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c1C 2806825 IJVWJAUWAXNEFG-CQSZACIVSA-N 394.501 0.662 0 40 GCAB C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O 4216543 VFAVNRVDTAPBNR-UBHSHLNASA-N 377.397 0.398 0 40 GCAB endogenous,in-man COCCNC(=O)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 7006529 ZYIUGBLJDOUITE-CQSZACIVSA-N 387.396 0.103 0 40 GCAB CCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC(=O)OC)c(=O)n2C 12231994 QHBQHQVOGKKCGH-UHFFFAOYSA-N 388.428 0.591 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)cc(=O)oc1C)[C@H]1CCS(=O)(=O)C1 12936387 ZFZSJKDIJBZYTH-OLZOCXBDSA-N 385.438 0.838 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 15545365 BWXXOACENCJRPS-QMMMGPOBSA-N 384.273 0.923 0 40 GCAB O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 15931370 RUQSINAEWWCCDM-UHFFFAOYSA-N 384.364 0.195 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)cc1C 20046349 YDIVZNNENUVLOX-UHFFFAOYSA-N 385.486 0.073 0 40 GCAB Cc1ccccc1Nc1nc(N)nc(CN2CCN(CC(=O)NC3CC3)CC2)n1 22924660 LALIRVUURFKYAJ-UHFFFAOYSA-N 396.499 0.902 0 40 GCAB CCCCOCCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 23018363 BHZWLMPCDFLEAE-UHFFFAOYSA-N 397.497 0.744 0 40 GCAB O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1 48314043 SCLGZMNAGXDMPU-GFCCVEGCSA-N 398.872 1.000 0 40 GCAB Cn1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 79488290 PQEVJNNCBONHQZ-CQSZACIVSA-N 389.477 0.483 0 40 GCAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC)CC2)O1 96036903 BCLCQBDANFESIO-AWEZNQCLSA-N 384.502 0.791 0 40 GCAB COCC(=O)NC[C@]1(O)C[C@H](c2ccc(F)cc2)O[C@H](C)[C@H]1OC(=O)COC 257307562 SZFVLABHZRSWBF-GWMUQRIZSA-N 399.415 0.728 0 40 GCAB CC(=O)N1C[C@@H]2CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn3[C@@H]2C1 306128360 GYNGQUAANFXZAB-JKSUJKDBSA-N 381.436 0.918 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@@]1(CCN(Cc3cccnc3)C1)CC2 306133250 MGSDCNUYVAWELF-NRFANRHFSA-N 390.447 0.791 0 40 GCAB CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccccc2OCCN(C)C1=O 643556359 JRTYPGVFTSWOJV-UNEWFSDZSA-N 391.468 0.548 0 40 GCAB CC(C)N(C)[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H]1Cc1cnn(C)c1 2055717903 DULMVXFHYJKJBH-CVEARBPZSA-N 380.518 0.868 0 40 GCAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 922643 FHILQTOWPAZAEA-ZDUSSCGKSA-N 390.483 0.165 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2CCCOc1ccccc1 4911577 JEVWXRFIKNYNOX-UHFFFAOYSA-N 384.440 0.302 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1 6788509 HSENZPSPXSBOCT-UHFFFAOYSA-N 398.510 0.732 0 40 GCAB CC(C)CN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 7005070 DKVMIDUSUXWPTM-CYBMUJFWSA-N 378.450 0.954 0 40 GCAB CN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 7313579 YILWCGUMJIYBIX-ACJLOTCBSA-N 391.449 0.025 0 40 GCAB Cc1cccc(Cn2c(N3CCCNCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 8701223 AOYOKQBXEMCBEF-UHFFFAOYSA-N 382.468 0.590 0 40 GCAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)N21 10153625 NWARYRFUPJWTNB-VIFPVBQESA-N 376.394 0.776 0 40 GCAB C[C@H](NC(=O)[C@H]1CCCN1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12219640 XTMNCZUZDKFPGW-DOTOQJQBSA-N 399.495 0.647 0 40 GCAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 12648237 ZCENDBUKXAHNLU-GFCCVEGCSA-N 382.424 0.478 0 40 GCAB CC(C)CN(C(=O)COc1cccc(-n2cnnn2)c1)[C@H]1CCS(=O)(=O)C1 12925305 OBBVGULIFYLMAQ-HNNXBMFYSA-N 393.469 0.713 0 40 GCAB COc1ccc(OC)c(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c1 22997039 FIBVYANJRMKQAY-MRXNPFEDSA-N 395.456 0.798 0 40 GCAB CC[C@](C)(CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)N1CCOCC1 31924837 WAIKLCUWYUACSX-FXAWDEMLSA-N 387.484 0.724 0 40 GCAB CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 36048071 QEXWFXMBIGREOH-UHFFFAOYSA-N 387.527 0.844 0 40 GCAB COC[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(N)=O 89409690 YGRGFPKBWZCEHS-ONOODXEBSA-N 395.481 0.316 0 40 GCAB CCc1nc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cs1 95998987 UWLYJGCXSFEHNH-CQSZACIVSA-N 387.527 0.901 0 40 GCAB COCC(=O)N1CCC2(CC1)CC1(CCN(c3ncccn3)CC1)C(=O)N2C 96262356 KYNDIOSRKCRSGN-UHFFFAOYSA-N 387.484 0.933 0 40 GCAB Cn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4cnc5c(N)ncnc54)C3)ccc21 257265728 MAAWJZPDVWRLFU-ZIAGYGMSSA-N 378.396 0.353 0 40 GCAB C[C@@H]1CCCN(C(=O)c2nnc3n2CC2(CCN(S(C)(=O)=O)CC2)OC3)C1 306140632 UZGUFBFKFWOBCR-CYBMUJFWSA-N 397.501 0.475 0 40 GCAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCC(C(N)=O)CC1 408534584 TUMZYWFVVWMOBW-UHFFFAOYSA-N 397.497 0.784 0 40 GCAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1cnn(-c2ccccc2)n1 575414743 ZVNJGSOPDDEZEK-CYBMUJFWSA-N 375.396 0.714 0 40 GCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 585123218 DNQOFKGIZKNXMX-JTQLQIEISA-N 397.423 0.910 0 40 GCAB Cc1nnsc1CN(C)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585291856 UKUUXADVZXZQKM-CVEARBPZSA-N 398.510 0.075 0 40 GCAB O=C(c1cn2ccccc2n1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549161028 CXAFDQWLUABOLI-HNNXBMFYSA-N 395.419 0.602 0 40 GCAB Cn1c(O)ncc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)c1=O 1888882180 UZECVALSOAPLDQ-UHFFFAOYSA-N 384.396 0.460 0 40 GCAB O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCN1CCCC1 4682682 NQQSORFSZOKXRA-UHFFFAOYSA-N 392.475 0.703 0 40 GCAB O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)N1 13608373 MRPHIBIGVWONBW-NWDGAFQWSA-N 377.422 0.576 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=S)N[C@@H](Cc2ccccc2)C(=O)O)cc1 16478788 NLQYLYXIENBPLK-HNNXBMFYSA-N 393.490 0.994 0 40 GCAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccco1 20465857 JVUISFWVZPXLJZ-VSZNYVQBSA-N 375.425 0.068 0 40 GCAB biogenic,in-vitro O=C1CN(c2ccc(NC(=O)[C@H]3CCCN(c4cnccn4)C3)cn2)CCN1 31718006 AMNCSKDHUDUEAY-AWEZNQCLSA-N 381.440 0.663 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3nccnc3N)CC2)c1 32860448 IQNDICOUMGSZEX-UHFFFAOYSA-N 375.454 0.822 0 40 GCAB CC(C)CCN1C(=O)C[C@@H](N2CCN(c3ncnc4c3cnn4C)CC2)C1=O 36397263 CNRFOVSDQYNNMG-OAHLLOKOSA-N 385.472 0.659 0 40 GCAB COC(=O)CCCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 58438265 ZHGYXYDXRAFNCF-UHFFFAOYSA-N 384.483 0.951 0 40 GCAB CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 71756607 OHKOGUYZJXTSFX-PHGLEFOZSA-N 384.435 0.548 0 40 GCAB Cn1ccnc1CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O 96269103 BYMPINUZZJTZDD-AWEZNQCLSA-N 375.454 0.731 0 40 GCAB biogenic,in-vitro CC(C)[C@@]1(O)[C@H](O)[C@H]2O[C@@]23[C@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@H]2O[C@]23[C@@H]1O 100794664 DYVDZVMUDBCZSA-MGUTZHMXSA-N 378.421 0.058 0 40 GCAB CNC(=O)[C@@H]1[C@@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@@]1(C)O3 245227877 XDZKHRZZZUCGTG-SMNRVQCRSA-N 387.480 0.884 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(N4C(=O)COC4=O)CC3)cc21 253405840 TVPSRXFZVINSCY-UHFFFAOYSA-N 395.393 0.263 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnn2ccc(C)cc12 534303879 NAJAQHNPYXHDNU-ZDUSSCGKSA-N 378.454 0.408 0 40 GCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N2CCCCCC2)nc1 643432614 WAVBLBFUUKCOPO-AWEZNQCLSA-N 381.454 0.786 0 40 GCAB CN1CCN(C[C@@H]2CN(C(=O)Cc3ccc(-n4cnnc4)cc3)CCO2)CC1 644628615 VHXYZLYEUDNBBN-LJQANCHMSA-N 384.484 0.285 0 40 GCAB CCN(Cc1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C(C)=O 665533777 WLQFAXBVNKJOGU-CVEARBPZSA-N 383.470 0.989 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)[C@H]1CCOC1)C2 1565555657 MJQUUZCMVITWPZ-KSSFIOAISA-N 377.466 0.951 0 40 GCAB COCCN1C(=O)C[C@H](C(=O)Nc2cnn(CCOC)c2)[C@H]1c1nccn1C 1615548820 JKDQJBZYXGMCMT-HOCLYGCPSA-N 390.444 0.438 0 40 GCAB Cc1nc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc(-n2cccn2)n1 2086889368 PAICMGSRIMEQGY-IYBDPMFKSA-N 399.499 0.729 0 40 GCAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccco3)c2c1 9465134 MNMOKDNOMDNZSJ-UHFFFAOYSA-N 379.398 0.020 0 40 GCAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nnc2ccccn12 9751363 LMMGFVFXFZTTSG-OAHLLOKOSA-N 385.449 0.732 0 40 GCAB O=C(CN1C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc21)N1CCOCC1 12113142 MJGZXEWQWSRSBS-HNNXBMFYSA-N 393.465 0.435 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1=O 12748109 RGHQPLFBEYIFJD-MOPGFXCFSA-N 399.407 0.132 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl 12923244 HNRQHDZFOFVQQL-NSHDSACASA-N 394.902 0.654 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 18077693 OOVPLFMYJIXTSM-CABCVRRESA-N 398.423 0.598 0 40 GCAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 18099129 SUJOHYAYVRPHKU-HXUWFJFHSA-N 397.435 0.992 0 40 GCAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(CCO)CC1 20328163 QUYCRWPBXMRFCP-UHFFFAOYSA-N 390.440 0.512 0 40 GCAB CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 36569591 RNNBHRJKHVEISM-KGLIPLIRSA-N 394.431 0.792 0 40 GCAB biogenic CC(=O)OCCN(CCOC(C)=O)S(=O)(=O)c1ccc2nc(O)oc2c1 41124575 HUWXCJHXKIVBDC-UHFFFAOYSA-N 386.382 0.650 0 40 GCAB COc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1OCC(=O)NC1CC1 56175190 LWANJBYHCIPHAO-NSHDSACASA-N 376.413 0.705 0 40 GCAB O=C(c1cc[nH]n1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71764756 VZHUDJWVOFOKHR-OAHLLOKOSA-N 375.473 0.585 0 40 GCAB COC(=O)CNC(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101073 ZTIXKRNUQAGHLH-LLVKDONJSA-N 375.381 0.778 0 40 GCAB Cn1c(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(=O)n(C)c1=O 108037485 GFNLEVGXCHAZQA-LBPRGKRZSA-N 391.859 0.983 0 40 GCAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257297296 RGRHXWXHYHDTFG-HNNXBMFYSA-N 377.470 0.089 0 40 GCAB Cn1ccc(C(=O)N2CC[C@]3(CCn4ncnc4[C@H]3NC(=O)C3CCC3)C2)n1 306136984 QIGGPULQUNOJSM-BEFAXECRSA-N 383.456 0.905 0 40 GCAB COCCN1C(=O)CN(C2CCN(CC(=O)Nc3nc(C)cs3)CC2)C1=O 390830732 MZALEZOAVMNSNA-UHFFFAOYSA-N 395.485 0.765 0 40 GCAB O=S1(=O)C[C@@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)C1 575423755 QCHTYNOVFKFDHI-JKSUJKDBSA-N 383.447 0.745 0 40 GCAB CN(Cc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290735 WBNULEIBRXAYMZ-MOPGFXCFSA-N 376.478 0.915 0 40 GCAB CC(=O)OC[C@@]1(CC(=O)N2CCOCC2)CCCN1C(=O)Cc1cc(C)no1 643586975 NTNYOMPMKVCWDO-IBGZPJMESA-N 393.440 0.699 0 40 GCAB CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H]3CC[C@H](C4CC4)N3)CC2)CC1 653150020 OYBRGSWVRCZAAA-MOPGFXCFSA-N 391.560 0.214 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(S(=O)(=O)C4CCCCC4)C[C@H]3C2)cc1=O 1888847551 YHDWPQHIRHNALE-BETUJISGSA-N 382.486 0.516 0 40 GCAB Cc1c(OCC(=O)NCC(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2146715 FIJNQUIZCRZBQP-UHFFFAOYSA-N 388.376 0.286 0 40 GCAB biogenic CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 3017360 URYGXCIKHQHZDB-HNNXBMFYSA-N 397.497 0.601 0 40 GCAB CN(C(=O)COC(=O)COc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5802229 JWNXXCQFVRKLEA-LBPRGKRZSA-N 375.830 0.908 0 40 GCAB O=C(C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 8624350 KYRWVFOJOHWCDJ-CIRFHOKZSA-N 392.383 0.344 0 40 GCAB biogenic,in-vitro Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccn3)cs2)n(C)c1=O 9124974 XHZAHUPJAFLCGX-UHFFFAOYSA-N 397.420 0.591 0 40 GCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nn1 12184855 OFTIHYUMVPJWTI-AWEZNQCLSA-N 389.460 0.249 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 12886565 ZTQWVTBGVWMOKH-GOSISDBHSA-N 389.477 0.825 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1F 13847640 UVNUJQKGLWADSR-UHFFFAOYSA-N 392.416 0.783 0 40 GCAB CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15387888 BOQQSABRJVJIPI-UHFFFAOYSA-N 389.861 0.778 0 40 GCAB CC(=O)N[C@@H]1CNC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 19704253 LYQJTZQXDVGYIY-AWEZNQCLSA-N 395.481 0.479 0 40 GCAB Cc1nc(N2CCOCC2)sc1CN1CCC2(CC1)NC(=O)N(C)C2=O 19715767 OLEZAAZFSBINIE-UHFFFAOYSA-N 379.486 0.804 0 40 GCAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(CC(=O)NC2CC2)CC1 22818425 HBIQSFBPDYPZOR-GOSISDBHSA-N 399.539 0.620 0 40 GCAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)Nc1ncnc2nc[nH]c12 32865968 JTQONBNHDIIXIU-SECBINFHSA-N 376.398 0.845 0 40 GCAB CNC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 32902821 PXQOVMBSQDCREO-UHFFFAOYSA-N 397.497 0.980 0 40 GCAB CN(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccs1 32905457 YYBANLCDQMAUMC-CYBMUJFWSA-N 387.465 0.726 0 40 GCAB CN(C(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O)[C@H]1CCS(=O)(=O)C1 33543826 JBJLBDQCNLJPKF-BZPKPHBRSA-N 384.435 0.961 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 40086283 FAEZUUDFCKEJGB-JKSUJKDBSA-N 391.534 0.453 0 40 GCAB COc1cc(C(=O)OCCCN2CCOCC2)cc(OC)c1OCC(N)=O 72289680 UFEWTXPNLQOWHQ-UHFFFAOYSA-N 382.413 0.447 0 40 GCAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)N(C)C)CC3)C1=O 96036616 NJGGUSVHZDPXPZ-IBGZPJMESA-N 379.505 0.986 0 40 GCAB CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CCCC4)cn23)C1 96156761 OYDCQVKRHKMSHQ-HNNXBMFYSA-N 385.472 0.935 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCOCC1 225279342 ZUMJGJLQBMGEIU-UHFFFAOYSA-N 398.481 0.508 0 40 GCAB COc1ccccc1OCc1cn(CC(=O)NCCC(=O)NC(C)C)nn1 227161401 ZTGUWYJSLVRGJO-UHFFFAOYSA-N 375.429 0.897 0 40 GCAB CC(C)S(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 524734620 VZRSWOTZWHXRHK-INIZCTEOSA-N 392.485 0.339 0 40 GCAB O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565554783 ZTYDVBDEJMQFGA-UHFFFAOYSA-N 389.485 0.606 0 40 GCAB O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)N1CCN(c2ccccc2)CC1 3347700 ZYJOYRBHZJUGLL-UHFFFAOYSA-N 379.420 0.676 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 5051278 MLGQBKYRTAGSPE-OJXGSEEGSA-N 389.433 0.470 0 40 GCAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)S(=O)(=O)c1cccs1 7735230 CTNDUQXVIVMDGP-CYBMUJFWSA-N 395.462 0.648 0 40 GCAB C[C@@H](OC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(N)=O 11053103 ZAGZEFHMQCZRSS-MRVPVSSYSA-N 386.334 0.777 0 40 GCAB COc1cc(S(=O)(=O)N(CCO)CCO)c(OC)cc1Br 11566229 WAGAPZNAOBGXGK-UHFFFAOYSA-N 384.248 0.442 0 40 GCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN[C@H]1CCS(=O)(=O)C1 12366147 HMBYMOPCAJNBAY-HOTGVXAUSA-N 381.498 0.115 0 40 GCAB CN(C)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12637284 FIIIRGNZBPLQPW-AWEZNQCLSA-N 378.454 0.857 0 40 GCAB C[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21976504 NFMICXAUKWYUJO-AAEUAGOBSA-N 386.408 0.329 0 40 GCAB CCOC(=O)Cc1csc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)n1 23142045 WSTODWIGTRHALV-UHFFFAOYSA-N 380.426 0.515 0 40 GCAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCOCC2)C3)ccc1O 35590338 VCLNWYUVPPJDOP-QGZVFWFLSA-N 388.424 0.183 0 40 GCAB C[C@@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)Nc1ccc(C(N)=O)cc1 69741296 OFJCIKHHDIYRRI-LLVKDONJSA-N 380.364 0.945 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)Nc1ccc(F)cc1 103254429 KABGTVYIOWBKOU-IUODEOHRSA-N 385.461 0.778 0 40 GCAB COc1ccc(C)cc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCOCC2)c1=O 222674655 GWJVOOXFKQSNIK-UHFFFAOYSA-N 375.381 0.373 0 40 GCAB Cc1n[nH]c(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)n1 226036432 CDABDDRGSTXUJT-UHFFFAOYSA-N 387.462 0.781 0 40 GCAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 257262001 LJQDPYYUVLTUGX-INIZCTEOSA-N 381.498 0.300 0 40 GCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H]1O 514288771 CUQNIIDUKFGRIL-BSWAZPDLSA-N 388.461 0.343 0 40 GCAB biogenic,in-vitro NC(=O)c1cc([C@H]2CCCN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)C2)[nH]n1 546042420 MUHIRGPHUSUGSA-AWEZNQCLSA-N 396.451 0.884 0 40 GCAB Cc1cnc(C(=O)N2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)cn1 585095285 NMJFQSISEPEOQO-AWEZNQCLSA-N 377.470 0.798 0 40 GCAB Cc1ccc(CCCN2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C2)o1 643912670 AAQBSIOUUTZTKO-MTQWCTHYSA-N 385.501 0.857 0 40 GCAB CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(C)ccc1C 4357622 OCBCJKAVTWIPLR-HNNXBMFYSA-N 383.470 0.293 0 40 GCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2cccc(C)c2C)c1=O 4479205 OYQSSVNUZUGBKI-UHFFFAOYSA-N 383.408 0.878 0 40 GCAB CC(=O)N1C[C@@H](N[C@@H](Cc2c[nH]cn2)C(=O)O)C(c2ccc(N(C)C)cc2)=N1 5631792 JWWXOYVUAOFRDC-DLBZAZTESA-N 384.440 0.696 0 40 GCAB CCNC(=O)[C@H](C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[C@@H](C)CC 8729107 JOYRQFJXDRHADZ-HUBLWGQQSA-N 394.497 0.781 0 40 GCAB CCN1c2nc3c(C)cccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C)C2=O)[C@@H]1C 9348043 HVYYKFZGMDEBOL-JEOXALJRSA-N 383.408 0.468 0 40 GCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 56037570 USUTVNQQFDKXBV-UHFFFAOYSA-N 375.468 0.926 0 40 GCAB O=c1ccc(-c2ccccc2)nn1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 57085782 KXUIKZDKVVEMGF-QGZVFWFLSA-N 388.493 0.673 0 40 GCAB CCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COCC 79019098 UXQKYBCCDLESLY-CQSZACIVSA-N 387.477 0.624 0 40 GCAB CCOc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1F 79023754 KIJCSXBVDLPAQI-UHFFFAOYSA-N 391.403 0.764 0 40 GCAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3CCOCC3)C2=O)cc1 96231942 HRNFEEOJIFPBSF-INIZCTEOSA-N 375.425 0.797 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)C3CCNCC3)CC2)CC1 257234842 GVIIPYOZOJWPAI-FQEVSTJZSA-N 380.533 0.330 0 40 GCAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 257243863 IIXHMFOESVETDQ-HXUWFJFHSA-N 394.435 0.709 0 40 GCAB CN(C)N([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575425569 ZYYCHSRPZONJLK-JKSUJKDBSA-N 384.479 0.465 0 40 GCAB O=C(C[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn21)N1CCCCO1 585095712 FFOBDUYDBWGCQN-HNNXBMFYSA-N 391.453 0.968 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCO1 681942806 QOQHQDXALIIHCI-MRXNPFEDSA-N 391.424 0.163 0 40 GCAB c1cc2c(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)ncnc2cn1 1889191888 ONKHAQZOLGAJKA-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccn(C)n3)C2)cnn1C 2732256 RLZAWVDGXDEEEC-ZDUSSCGKSA-N 380.474 0.179 0 40 GCAB O=C(NCCCn1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 6147975 GEWGOAHFMHZRDA-UHFFFAOYSA-N 396.444 0.863 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCc3ccccc3C2)n(C)c1=O 6637207 SMIABXDPMSINAX-UHFFFAOYSA-N 387.827 0.672 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 7159521 FFNLKPSVOLYRPC-CQSZACIVSA-N 388.511 0.617 0 40 GCAB O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 8012598 QQDZZEGBPOFIKO-UHFFFAOYSA-N 387.421 0.622 0 40 GCAB Cn1nc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1=O 8342124 LDTNJFJFYGCQPU-UHFFFAOYSA-N 376.438 0.068 0 40 GCAB CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nnnn2C)ccc1Cl 12530491 OQEJMWZVYAXFST-UHFFFAOYSA-N 390.878 0.845 0 40 GCAB C[C@@H](O)CNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 13512769 DETVYNBJJHGMQJ-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@H]3CCCO3)C1)C2=O 19699808 GDVOQUAORSQCOZ-HUUCEWRRSA-N 378.473 0.563 0 40 GCAB CCN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228506 AYUUOSDCSQIDMH-UHFFFAOYSA-N 383.470 0.192 0 40 GCAB CNC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)NC)C(=O)C[C@@]1(C)O 36556745 VVHUDXYAOJMQET-SZOQZIPDSA-N 397.269 0.981 0 40 GCAB O=C(NCCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 58141040 PUTUBLGXWPTILY-KRWDZBQOSA-N 395.525 0.926 0 40 GCAB CCOC(=O)N(C)CC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 65522735 MUKMDSYXTFRQMI-UHFFFAOYSA-N 376.457 0.930 0 40 GCAB CCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 78743329 YKJDNMFHCVFZPN-HNNXBMFYSA-N 377.466 0.988 0 40 GCAB CN(C)CCn1cc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cn1 95966678 MITUBNVDTAHSCN-AWEZNQCLSA-N 381.383 0.511 0 40 GCAB Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 217970604 JCASADGAKAIZMO-UHFFFAOYSA-N 398.510 0.647 0 40 GCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCOCC4)C3)C2=O)o1 225398284 KOTCHSCFXFNFHP-WBVHZDCISA-N 389.452 0.125 0 40 GCAB biogenic,in-vitro COc1cccc(CC(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)c1 247535077 QFKUVSPJDZVBQY-OAHLLOKOSA-N 378.454 0.567 0 40 GCAB NCc1ccc(C(=O)N2C[C@H](O)[C@@H](n3c(O)nc(=O)c4ccccc43)C2)cc1 257229652 FYYLYBGWKALJED-IRXDYDNUSA-N 380.404 0.619 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 306123657 ATFZHZGFBXHLDE-GJZGRUSLSA-N 389.481 0.662 0 40 GCAB CNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3nncn3C)CC2)c1 585090876 VPGSDRSVOUXFNQ-UHFFFAOYSA-N 379.446 0.077 0 40 GCAB Cc1nn(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(=O)n1C 653613043 SCAYJRNBKJJMLP-UHFFFAOYSA-N 383.412 0.741 0 40 GCAB COC1(CNS(=O)(=O)c2ccc(F)cc2C)CCN(S(C)(=O)=O)CC1 1889214374 TWNBDVQVWQRUMZ-UHFFFAOYSA-N 394.490 0.853 0 40 GCAB CCN1C[C@@]2(CC1=O)CN(C(=O)CCc1ccc[nH]1)CCN(S(C)(=O)=O)C2 2055795823 DBGZPKGZGPIEEU-SFHVURJKSA-N 396.513 0.290 0 40 GCAB Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2cccc(Cl)c2)n(C)c1=O 832593 HBDVQYGYDGYDQE-UHFFFAOYSA-N 389.843 0.972 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 2804037 FQQDAHSMZGYWPX-UHFFFAOYSA-N 384.483 0.424 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 7216647 IXVKQSCKCIDMRR-SHQCLWGWSA-N 386.495 0.612 0 40 GCAB O=C(OCCOc1ccccc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12796057 COJSAUHZMANNRU-LBPRGKRZSA-N 398.412 0.913 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 12849275 FTCKKSFYPDQPSQ-UHFFFAOYSA-N 376.438 0.235 0 40 GCAB CCOc1ccc(OCCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 13021766 GUDSWIZVCWZBLJ-CYBMUJFWSA-N 385.438 0.701 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OC 16681791 AYMATEJLJWTIHL-UHFFFAOYSA-N 385.486 0.446 0 40 GCAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc21 22908563 ANEZEBGZXJZJKD-UHFFFAOYSA-N 388.468 0.763 0 40 GCAB Cc1cc(C(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)c(C)n1C[C@@H]1CCCO1 25255478 RUEURWYWFHUURI-ZFWWWQNUSA-N 391.424 0.998 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)NCC(=O)NC1Cc2ccccc2C1 36360333 RKNRQJOPHODRNL-UHFFFAOYSA-N 377.404 0.191 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 40025533 WVQPTHMUUKWMMW-BQYQJAHWSA-N 375.454 0.443 0 40 GCAB C[C@@H](NCC(=O)NCCN1C(=O)CSC1=O)c1ccc2c(c1)OCCO2 49597310 KNQIJDKWFINABK-LLVKDONJSA-N 379.438 0.920 0 40 GCAB Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69601613 WGNFLXXVWJBGFC-UHFFFAOYSA-N 375.454 0.786 0 40 GCAB COC(=O)c1cn([C@@H]2CCN(C(=O)CCN3C(=O)COc4ccccc43)C2)nn1 95940504 RIGPFICGVNHSIN-CYBMUJFWSA-N 399.407 0.654 0 40 GCAB COc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 225391290 OYYRZBPZSISCAD-SNVBAGLBSA-N 392.393 0.762 0 40 GCAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 585112148 JFEYNMOFISUMEE-AWEZNQCLSA-N 378.458 0.261 0 40 GCAB O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256261 PWSPQYQLFFTFIY-UHFFFAOYSA-N 399.451 0.538 0 40 GCAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 5468435 CNFPLCSPLYWGCC-VIFPVBQESA-N 380.253 0.728 0 40 GCAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1 12996020 OOBIIDDTDBQBAZ-LLVKDONJSA-N 376.413 0.098 0 40 GCAB Cn1nnc2c(N3CCN(C(=O)/C=C\c4ccc5c(c4)OCO5)CC3)ncnc21 13532614 DKRWQVKKIAPORL-HYXAFXHYSA-N 393.407 0.849 0 40 GCAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1 16188259 NJEMNQBYOHNGBM-UHFFFAOYSA-N 383.451 0.593 0 40 GCAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 17079259 IPHAWXRXLSKQAZ-MXSMSXNCSA-N 388.420 0.938 0 40 GCAB O=C(COC(=O)CCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCCO2 25125348 MDHBPNKLPPHBHX-UHFFFAOYSA-N 376.365 0.869 0 40 GCAB NS(=O)(=O)c1cccc(CNC(=O)CCN2C(=O)COc3ccccc32)c1 25269972 AGHIRICPWWGTRY-UHFFFAOYSA-N 389.433 0.766 0 40 GCAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 34878666 WDZXJFMOOIDHQR-UHFFFAOYSA-N 393.377 0.392 0 40 GCAB CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cn1nnc2ccccc21 72324294 FKYSYSWSTMYJFU-CQSZACIVSA-N 392.423 0.769 0 40 GCAB CN(CCO)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 95410320 AJWFHXVUOPOBHY-UHFFFAOYSA-N 381.498 0.994 0 40 GCAB CCCn1c(C(=O)N2CCc3ncncc3C2)cc2c(=O)n(C)c(=O)n(C)c21 96122784 RBNQXBRGZJIAII-UHFFFAOYSA-N 382.424 0.437 0 40 GCAB CCOC(=O)N1C[C@H]2[C@H]3CN(C(=O)OCC)[C@@H]4C[C@@]3(C(=O)O)[C@@H]1C[C@]24C(=O)O 104071758 LTPAGGAWNDKANQ-BNBJUGFDSA-N 396.396 0.850 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 105352049 BUONQAWZMCXZSY-OECIGLSHSA-N 393.827 0.088 0 40 GCAB Cn1c(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(=O)n(C)c1=O 108037488 GFNLEVGXCHAZQA-GFCCVEGCSA-N 391.859 0.983 0 40 GCAB COc1ccc(-c2cnc3c(N4CCN(S(C)(=O)=O)CC4)nccn23)cn1 306126379 DTXOIJPIRJHSIV-UHFFFAOYSA-N 388.453 0.882 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(O)nn2)CCO1 585282144 AVYWVKUNDZXMGR-GOSISDBHSA-N 390.371 0.487 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(O)c5)C[C@H]4C3)nn12 1888909562 WHBRHMXQHFHTEP-OKILXGFUSA-N 379.424 0.996 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccn(C)n5)C[C@H]4C3)ncnc21 1888913849 XASSCMIXJMNVIW-ZIAGYGMSSA-N 396.455 0.415 0 40 GCAB O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1361805 SIVVVIOVKQERFD-UHFFFAOYSA-N 376.442 0.342 0 40 GCAB O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(O)c(S(=O)(=O)O)cc2c1 2243083 ANYNWDCUWOSEFH-UHFFFAOYSA-N 384.365 0.286 0 40 GCAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 8981074 OYAGXNFNSDAUMT-QGZVFWFLSA-N 391.449 0.706 0 40 GCAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 16129088 BMKZLARBENVUAN-UHFFFAOYSA-N 383.451 0.837 0 40 GCAB CC[C@H](NC(=O)CN1C(=O)N[C@@H]2[C@H]1N(C)C(=O)N2C)c1ccc(OC)cc1 19500490 DOTZIJGHDXNKEW-BPUTZDHNSA-N 375.429 0.937 0 40 GCAB Cn1c(N)c(C(=O)CSc2nccc(C(F)(F)F)n2)c(=O)n(C)c1=O 24926631 MLOVLFWSZBCWGS-UHFFFAOYSA-N 375.332 0.450 0 40 GCAB CCN(CC)C(=O)CN1CCCN(CC(=O)Nc2sccc2C(N)=O)CC1 31577716 UPJQVCYEKGJSCI-UHFFFAOYSA-N 395.529 0.662 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC(C)(C)N2CCOCC2)C1 32825636 BIGURLAMVLNNCM-AWEZNQCLSA-N 377.507 0.207 0 40 GCAB COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)c1 44890606 DFNCNQKIFMPDAV-ZDUSSCGKSA-N 377.422 0.222 0 40 GCAB C[C@@H]1C(=O)NCCN1CC(=O)NCC(=O)Nc1ccccc1Br 58307105 JKCJHLZBRQTNJK-SNVBAGLBSA-N 383.246 0.324 0 40 GCAB CNC(=O)CN1CC2(CCN(C(C)=O)CC2)COc2ccccc2S1(=O)=O 96087781 GDTJAEISNMNBSM-UHFFFAOYSA-N 395.481 0.444 0 40 GCAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)C1 97000336 HUGIHLXOCMWHJC-BBWFWOEESA-N 391.520 0.498 0 40 GCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCN(C)C)c2cc(Br)ccc21 97957217 IQLMFWXBQRDMIW-ZDUSSCGKSA-N 397.273 0.651 0 40 GCAB O=S(=O)(N1CCOCC1)N1C[C@@H]2CCC[C@@H](C1)C2(O)c1cccnc1F 100769492 PTLUWYVLDZJTGU-KBPBESRZSA-N 385.461 0.717 0 40 GCAB CO[C@@H]1O[C@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@@]3(O)[C@@H]5[C@H]6[C@@H](CC[C@H]6[C@@H]([C@@H]45)[C@@]12O)O[C@H]3OC 104288788 RJJXWMZYJXNNPT-RPRAURNUSA-N 390.476 0.995 0 40 GCAB CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 107434683 AXWLJQKHNCEKHK-NLGPRMJCSA-N 380.441 0.865 0 40 GCAB biogenic,in-vitro C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1nc2c(cc1=O)CCC2 575619792 LUYDSYAARLSNAD-LBPRGKRZSA-N 390.465 0.299 0 40 GCAB Cc1cc([C@@H](C)NC(=O)Cn2cc(C[C@H]3NC(=O)NC3=O)nn2)c(C)s1 583623887 NFFGDXPIDLLPSD-NOZJJQNGSA-N 376.442 0.584 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC2CN(c3ncnc4ccsc34)C2)CC1 1889191807 KTSLYNMGERCSQT-UHFFFAOYSA-N 395.510 0.668 0 40 GCAB CCC(=O)NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 4473064 QBXJFFBWAPBVGR-UHFFFAOYSA-N 381.502 0.819 0 40 GCAB CCC(C)(C)c1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 9667426 RMZJMFJDTMVDLS-UHFFFAOYSA-N 391.457 0.612 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@@H](c3ccco3)N2)CC1 10157576 ITQCDYZUDUJRAB-QWHCGFSZSA-N 378.385 0.370 0 40 GCAB CCn1nnc2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)cnc21 13531515 BPTCIYSWBLEMLU-UHFFFAOYSA-N 386.412 0.384 0 40 GCAB COc1ccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O 19680293 JOVOVFGCUXFREW-NSHDSACASA-N 376.456 0.461 0 40 GCAB COc1ccccc1CN(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23594088 LXVSJLDKZHWGRD-AWEZNQCLSA-N 393.465 0.819 0 40 GCAB O=C(NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 23653434 IBNANKWUWOFIDI-UHFFFAOYSA-N 381.498 0.923 0 40 GCAB COC(=O)Cc1c(C(=O)OC)sc2nc(CN3CCC(O)CC3)nc(O)c12 26296059 TZPQJVOKCHFQIU-UHFFFAOYSA-N 395.437 0.856 0 40 GCAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCOCC3)nc1)CS2 26690872 OOCMYTFZWGLIPY-KDOFPFPSSA-N 376.482 0.988 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)C[C@@H](C)O1 32771327 WKBBPLHWKXEGGF-OKILXGFUSA-N 385.461 0.938 0 40 GCAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCC(=O)NC(C)C)n1 36360439 PWQBHNWBLBJEGA-UHFFFAOYSA-N 375.385 0.861 0 40 GCAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)C 46035035 UHSTVSFDODTVCV-CQSZACIVSA-N 376.500 0.871 0 40 GCAB CC(=O)N[C@H]1[C@H](Oc2ccc(Cl)c3cccnc23)O[C@H](CO)[C@@H](O)[C@@H]1O 62001289 HQJWXXCVGAUCSJ-LMHBHQSJSA-N 382.800 0.211 0 40 GCAB biogenic CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC)c1 95454359 GDJVYOHYKKYMHC-CQSZACIVSA-N 392.547 0.423 0 40 GCAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)N1CCN(S(C)(=O)=O)C1=O 225711534 GSWRERFTDKEQKF-KRWDZBQOSA-N 397.453 0.626 0 40 GCAB Cc1nc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(C(F)(F)F)n1 225732610 LHHXUEKNRUYKTD-UHFFFAOYSA-N 385.346 0.601 0 40 GCAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 225960324 FGRSKHWCNQMUCQ-UHFFFAOYSA-N 382.486 0.528 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C 257241180 HWYXGPSWWPUNCI-OAHLLOKOSA-N 385.461 0.220 0 40 GCAB Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ccc1N1CCOCC1 647743083 XCNPONVZPGPVNJ-OAHLLOKOSA-N 382.438 0.155 0 40 GCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)NC[C@H]1CCCO1 1547201277 VSYVSXPDQOOXDF-CYBMUJFWSA-N 391.815 0.982 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)C(C)C)C[C@H]4C3)ncnc21 1888890692 CYMHKQXPFUMGNY-ZIAGYGMSSA-N 394.501 0.579 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(=O)N[C@H](C)C(N)=O 1611509 PDGAIHURTAVSLJ-CRAIPNDOSA-O 383.472 0.767 0 40 GCAB CCC(=O)N1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 5207870 UALPWCWDCOPVED-OAHLLOKOSA-N 399.451 0.289 0 40 GCAB CNC(=O)CCNS(=O)(=O)c1cc(N(C)S(C)(=O)=O)c(C)cc1C 5554115 SVLGVIGXAIBVFV-UHFFFAOYSA-N 377.488 0.114 0 40 GCAB CCOC(=O)CNC(=O)CSc1nnc(Cn2nnc3ccccc32)n1C 6546546 WSCLVNBUZNWIBD-UHFFFAOYSA-N 389.441 0.380 0 40 GCAB Cc1ccc(NC(=O)c2c[nH]c(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 6786917 AHHWRCNZWSVVBO-UHFFFAOYSA-N 392.437 0.799 0 40 GCAB CCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)CC1 7985396 SYYCMPWWLHJREN-UHFFFAOYSA-N 391.424 0.569 0 40 GCAB COc1ccccc1N1C(=S)N(CC(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 9423481 PQBDLQHMHKWXMK-CHWSQXEVSA-N 383.495 0.356 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2cnc3ccsc3c2=O)c2ccccc2O1 11652017 TXABIJKFRSTCSA-CQSZACIVSA-N 384.417 0.998 0 40 GCAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc21 15324812 WTEBTINPHVIMSD-UHFFFAOYSA-N 387.465 0.897 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 15365685 CJPZFPDTROPQOS-UHFFFAOYSA-N 390.464 0.661 0 40 GCAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n2C 15880330 BQHAHFXGKCZQEK-UHFFFAOYSA-N 398.375 0.514 0 40 GCAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 19961062 JOLHJFDVBAHKHJ-GFCCVEGCSA-N 383.408 0.979 0 40 GCAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)N1CCOCC1 38185639 WHSVZCGXCCAQBK-CYBMUJFWSA-N 387.396 0.109 0 40 GCAB CCS(=O)(=O)NCCNC(=O)c1nc(N2CCCCC2)ncc1Cl 48288075 BKCYOXUHOIDSKJ-UHFFFAOYSA-N 375.882 0.789 0 40 GCAB Cc1c([C@H]2C[C@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C 72335089 PFQOIUFLEYRMNC-IAGOWNOFSA-N 391.497 0.667 0 40 GCAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1C 78752277 XCINFWFECYFVNL-GJZGRUSLSA-N 390.440 0.379 0 40 GCAB CCN(C(=O)CCC(=O)NCCNC(C)=O)C1CN(C(=O)OC(C)(C)C)C1 84761205 FGHNBZMRAXPNKI-UHFFFAOYSA-N 384.477 0.487 0 40 GCAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)CS2 90609596 UXDPXTBHMPBGCI-KBPBESRZSA-N 392.481 0.123 0 40 GCAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 95479985 COTPKNVSTQLMRI-JSGCOSHPSA-N 383.861 0.804 0 40 GCAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4cnccn4)CC3)[C@@H]1CN(C(C)=O)C2 96036270 CQSGUDDTXMLTMT-OXJNMPFZSA-N 385.468 0.704 0 40 GCAB COc1ccnc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 140223010 UUPQIOJUNWKBJY-UHFFFAOYSA-N 396.495 0.956 0 40 GCAB COc1ccc(CN2CCN(C3=NO[C@H]4CN(S(C)(=O)=O)C[C@@H]34)CC2)cc1 306139795 UAUZORUDDGRWBU-SJORKVTESA-N 394.497 0.417 0 40 GCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 575423715 QUZZKAPYKVOOAS-NWDGAFQWSA-N 398.300 0.618 0 40 GCAB O=c1c2ccccc2nnn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 585149436 RZKSRUSDVIYLGX-UHFFFAOYSA-N 388.405 0.541 0 40 GCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3[C@@H](CCN3C(=O)Cn3ccccc3=O)O2)cn1 1565548625 GQYVABBXOCAKMQ-ZACQAIPSSA-N 397.435 0.022 0 40 GCAB O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCOCC1 3207386 AVCSOCTUXGYQNO-UHFFFAOYSA-N 396.494 0.951 0 40 GCAB CC(=O)NCCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 4906447 FDZOQFPBTQKALM-KBPBESRZSA-N 396.494 0.233 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 6275171 MHAPTMSSCMZWHP-UHFFFAOYSA-N 388.405 0.866 0 40 GCAB COCCCNC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 6760561 MPDOKLCMXSBFNG-UHFFFAOYSA-N 395.481 0.766 0 40 GCAB CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CC(=O)N1CCOCC1 9306856 BEPFAZSJOIRFFV-UHFFFAOYSA-N 395.437 0.106 0 40 GCAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccco1 10157570 VNPUUKBDJJWLGJ-HOTGVXAUSA-N 383.408 0.813 0 40 GCAB COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 19719807 RSGITQVYADCGJI-ZDUSSCGKSA-N 379.438 0.618 0 40 GCAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)NCc1ccc(F)cc1 21704420 LTNCDHRGXIXEMI-UHFFFAOYSA-N 391.384 0.516 0 40 GCAB CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 30008343 ZKNZBHMQURMDJM-UHFFFAOYSA-N 383.470 0.306 0 40 GCAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(N3CCOCC3)c1)CS2 40070994 GAJVZPOTPRPCMR-KBXCAEBGSA-N 376.482 0.988 0 40 GCAB CN1CCN(C(=O)c2ccc(CNC(=O)Cc3nc4ncccn4n3)cc2)CC1 44545122 RNWCRQQNTLKPHC-UHFFFAOYSA-N 393.451 0.371 0 40 GCAB O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC[C@@H]1CCCO1 49421666 ZUVMYWYNXSBTBA-ZDUSSCGKSA-N 377.422 0.371 0 40 GCAB O=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1cc(=O)n2ccccc2n1 77199935 CKDLKXOBGOFLOI-UHFFFAOYSA-N 386.433 0.689 0 40 GCAB COc1cc(=O)n(CC(=O)NCC(=O)N(C)C)nc1-c1ccc(Cl)cc1 96184171 DNJQAFMHOSECPC-UHFFFAOYSA-N 378.816 0.777 0 40 GCAB COC(=O)c1ccc(C(=O)N2CCN(C3CCS(=O)(=O)CC3)CC2)cc1 238921141 TXBLHTULSRFWMN-UHFFFAOYSA-N 380.466 0.808 0 40 GCAB CCS(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306139726 TYTBXXCZIJLSJD-CHWSQXEVSA-N 375.454 0.984 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)CCO1 681943672 MYRSHXPWLDWADH-ZDUSSCGKSA-N 376.369 0.305 0 40 GCAB CC(C)[C@H](NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(=O)N[C@@H](C)C(N)=O 1611506 PDGAIHURTAVSLJ-YJBOKZPZSA-O 383.472 0.767 0 40 GCAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 13555715 XXGLEDWUWLKZKI-PRXAMGSTSA-N 393.415 0.910 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13575158 IXUGXRFAPZBLMB-PLUMWTSRSA-N 375.400 0.725 0 40 GCAB NC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 14095071 KASPTWHJASMXNY-CYBMUJFWSA-N 398.460 0.449 0 40 GCAB NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15957824 DSSCUBXFHQNDJP-NEVJAFOQSA-N 382.420 0.225 0 40 GCAB biogenic CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022259 IKQZUNAWFMKOIA-NEVJAFOQSA-N 384.436 0.473 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 22740720 IXJGQDZICWNXRB-MRXNPFEDSA-N 388.511 0.665 0 40 GCAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CCN(c2ncccn2)CC1 26383805 LYLKQLFPOWFDHL-UHFFFAOYSA-N 383.456 0.740 0 40 GCAB C[C@@]1(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)CCS(=O)(=O)C1 36383946 PCNCYNQNNGQMCA-MRXNPFEDSA-N 385.511 0.199 0 40 GCAB COc1cc(NC(=O)C(=O)NC(C)(C)CO)ccc1N1CCCCS1(=O)=O 40267369 RAVYCRKZCRORCS-UHFFFAOYSA-N 399.469 0.451 0 40 GCAB CC(C)C[C@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C(=O)N(C)C 47070579 PAGPYSORGYSFAR-YJBOKZPZSA-N 386.562 0.996 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CCN(C)CC2)c1 58087419 AGHCRVQPFPZTSG-UHFFFAOYSA-N 384.502 0.089 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC1 72297601 YBIFRMUHSXVJMY-OCCSQVGLSA-N 391.497 0.932 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC1CCC(C(=O)NC(N)=O)CC1 79105952 MSQUENIULLRFHI-ORHYLEIMSA-N 378.429 0.904 0 40 GCAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(-n3cncn3)nn2)cc1 96097879 JPBNXZXYOPVXHT-UHFFFAOYSA-N 394.395 0.176 0 40 GCAB O=C1CN(C(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CCN1 101618119 FBFBKBGLPBMSAZ-OKILXGFUSA-N 384.436 0.455 0 40 GCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2cncn21 247559717 YIBYQKFAGQWQPH-OAHLLOKOSA-N 378.454 0.785 0 40 GCAB CCCNC(=O)N1CCC2(CC1)Cc1nn(Cc3cccnc3)c(=O)c(=O)n1C2 306125979 DIBPYMADOBHXRJ-UHFFFAOYSA-N 398.467 0.606 0 40 GCAB O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 306129563 IGYARLQMMNUWRY-HXUWFJFHSA-N 388.468 0.897 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 575424658 VCGNFSITFHOLNW-RYUDHWBXSA-N 380.419 0.016 0 40 GCAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cn(C)cn3)CC1)CC(=O)N2C 1772596233 ZXRXDBSSRIHJIN-UHFFFAOYSA-N 378.458 0.472 0 40 GCAB COc1ccccc1-c1ccc(=O)n(C2CN(S(=O)(=O)c3cnc[nH]3)C2)n1 1775974658 YWDUBPMLXJAITE-UHFFFAOYSA-N 387.421 0.888 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O 4974692 UNTYIYCXVYMWKI-GARJFASQSA-N 380.275 0.338 0 40 GCAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NC1CC1 7698975 RIOWEMFXYVZJDD-UHFFFAOYSA-N 386.401 0.282 0 40 GCAB CS(=O)(=O)c1ccccc1NC(=O)Cn1nnn(-c2cccs2)c1=O 10816568 XNHXSQASHCOSCL-UHFFFAOYSA-N 379.423 0.533 0 40 GCAB Cc1ccc2nsnc2c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12462662 HEFMGDZEJYHURB-UHFFFAOYSA-N 385.409 0.386 0 40 GCAB Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@H]3CCCCN3C)c2=O)no1 19750197 CIIPFXOOEQLLMP-CQSZACIVSA-N 387.440 0.998 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21 32501641 VJMMADDPBCIHLF-UHFFFAOYSA-N 387.465 0.783 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 40070334 RGJPLCPWYYFGNG-ZDUSSCGKSA-N 398.460 0.129 0 40 GCAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@@H](CCC(N)=O)C2)c1C 58307103 NHILLVKWPSDDKC-AWEZNQCLSA-N 396.513 0.867 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1 58313616 MNHPURKXZOIQCN-AWEZNQCLSA-N 387.488 0.992 0 40 GCAB O=C(CCCc1nnc2ccccn12)NCCn1c(=O)c(=O)[nH]c2ccccc21 96117802 CFKWHQLPCQGFSO-UHFFFAOYSA-N 392.419 0.872 0 40 GCAB COC(=O)CS(=O)(=O)N1C[C@@H](Oc2ccccc2F)C[C@@H]1C(=O)OC 206806321 DHPNWOLNHVEZGD-CMPLNLGQSA-N 375.374 0.323 0 40 GCAB C[C@@]1(N(CCN)S(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 575424577 BKFQDTLYGKHFIF-MRXNPFEDSA-N 383.495 0.761 0 40 GCAB Cn1ccnc1CN1CCC2(CC1)CC(NC(=O)[C@H]1CCCS1(=O)=O)C2 1615103330 LOYWXSUGCJVUQK-OAHLLOKOSA-N 380.514 0.858 0 40 GCAB O=S(=O)(c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1)N1CC[C@H](O)C1 1776010864 ULWHSYDCDJVRNL-ZETCQYMHSA-N 377.337 0.875 0 40 GCAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5cnc[nH]5)C[C@H]4C3)ncnc21 1888921951 PEKAAKSRWQVPML-VXGBXAGGSA-N 388.457 0.326 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@H]3O2)cn1 2055729987 MNDQYPWTHUTUSK-APHBMKBZSA-N 380.470 0.373 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(CC(C)(C)C)s2)n(C)c1=O 792716 ALYMQFTWNCGXEH-UHFFFAOYSA-N 391.457 0.513 0 40 GCAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1=O 3534913 REPNBTQGFVRDLZ-VIFPVBQESA-N 385.471 0.748 0 40 GCAB COC(=O)C1=CN2[C@@H](C=C1)C(C(=O)OC)(C(=O)OC)[C@@H](c1cccnc1)[C@@H]2C#N 5798226 ZVSOSRUQIMSCAH-JYJNAYRXSA-N 397.387 0.701 0 40 GCAB Cn1cc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(=O)n(C)c1=O 12771798 MADXUFIUKNMGHL-NKSUMMKUSA-N 396.447 0.975 0 40 GCAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)NCc1ccc2c(c1)OCO2 23248504 GJWLTUVWNQUQPE-UHFFFAOYSA-N 388.468 0.272 0 40 GCAB Cn1nc(C(=O)N2CCC[C@@H](Cn3cc(-c4cccnc4)nn3)C2)ccc1=O 48435966 KXCHFPWPUXMPQX-CQSZACIVSA-N 379.424 0.986 0 40 GCAB CS(=O)(=O)NCCCN1CCN(CC(=O)N2CCCc3ccccc32)CC1 66884675 IXBMUVDRMCQIPA-UHFFFAOYSA-N 394.541 0.523 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)cn1 95455480 SOVMVUWLEQGERO-CYBMUJFWSA-N 387.483 0.799 0 40 GCAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCSc2ncn[nH]2)c1 223015724 QBURUUHASFCJTE-UHFFFAOYSA-N 385.471 0.634 0 40 GCAB Cn1ccc(C(=O)N2CC[C@@]3(CCn4ncnc4[C@@H]3NC(=O)C3CCC3)C2)n1 306136986 QIGGPULQUNOJSM-HNAYVOBHSA-N 383.456 0.905 0 40 GCAB COCCN1[C@@H]2CN(Cc3ccncc3Cl)C[C@@H]2OCCS1(=O)=O 1534645788 DFGGXOVCVYQZBT-CABCVRRESA-N 375.878 0.596 0 40 GCAB CCn1cc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)cn1 1565541716 ORYFLHHLYIOGIE-SJLPKXTDSA-N 375.429 0.567 0 40 GCAB C[C@H](C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O 859406 GNWGBUBTLJDCHE-CQSZACIVSA-N 376.409 0.563 0 40 GCAB C[C@@H](SCC(=O)O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5413458 RBPQMQUWMOUKKK-LLVKDONJSA-N 388.467 0.852 0 40 GCAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 6472651 NKZLKSAJIOYULA-SNVBAGLBSA-N 387.874 0.711 0 40 GCAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)S(=O)(=O)c1cccs1 7735231 CTNDUQXVIVMDGP-ZDUSSCGKSA-N 395.462 0.648 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NC(=O)NC1CCCC1 9691309 CFEQTRYITXBILL-IBGZPJMESA-N 386.408 0.985 0 40 GCAB CN(CC(=O)N1CCC[C@H](c2n[nH]c3ncccc23)C1)[C@@H]1CCS(=O)(=O)C1 12221352 SKXUAUCCUFVPRD-UONOGXRCSA-N 391.497 0.783 0 40 GCAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCO2 25052610 FHKXTPQAOAWWPK-LLVKDONJSA-N 396.403 0.894 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccco1 32103161 GRODCWHAGWGVJR-HNNXBMFYSA-N 377.422 0.475 0 40 GCAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)c2ccccc2O1 32831114 AAHZSYSEIRWTJB-OAHLLOKOSA-N 392.389 0.592 0 40 GCAB O=C(CN1CCN(C(=O)COc2cccc[n+]2[O-])CC1)Nc1ccc(F)cc1 89808170 ACGDDYYMWZYYSA-UHFFFAOYSA-N 388.399 0.621 0 40 GCAB CC[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCN1C[C@H](C)O 108127642 YZKBRGACOHLXBZ-LSDHHAIUSA-N 398.529 0.716 0 40 GCAB O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390828983 VNEBBQGGQOQMGJ-CQSZACIVSA-N 384.458 0.733 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147074 CLJJXCYCFIHWAB-JTQLQIEISA-N 383.202 0.368 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 626241090 VCYBLWFFXLSGMX-SNVBAGLBSA-N 393.368 0.790 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1cccc(-n2ccnn2)c1 626448067 NARRRKMXHUAGEL-AWEZNQCLSA-N 380.430 0.049 0 40 GCAB CN1CCO[C@@H](CNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)[C@@H]1c1cnn(C)c1 661299774 FVVULZIKNNIFLX-QAETUUGQSA-N 390.488 0.244 0 40 GCAB CN1CCO[C@@H](CNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)[C@@H]1c1cnn(C)c1 661299778 FVVULZIKNNIFLX-QZWWFDLISA-N 390.488 0.244 0 40 GCAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5c4ncn5C)CC3)nn2)n1 1889211576 JBZRLAYIURYNEK-UHFFFAOYSA-N 376.428 0.974 0 40 GCAB c1cnc2ncnc(N3CCN(c4ccnc(N5CCOCC5)n4)CC3)c2c1 2086889725 UWVCXCLGEUQLAH-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB CC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 1872671 ZDRILVFDOCRYIA-MRXNPFEDSA-N 396.325 0.625 0 40 GCAB COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 4213707 QVPRAQXJTNOTAQ-UHFFFAOYSA-N 391.453 0.542 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@H]1CCS(=O)(=O)C1 6231604 LAJHBTFCNHHABM-QFYYESIMSA-N 397.478 0.135 0 40 GCAB Cc1ccccc1-c1nnn(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 7082256 ZFHSHQDCDWOOPX-CQSZACIVSA-N 375.454 0.827 0 40 GCAB Cc1ccc(N2CCn3c2nn(CC(=O)NCc2ccco2)c(=O)c3=O)cc1 8849743 DRJHJRNPHMURIE-UHFFFAOYSA-N 381.392 0.775 0 40 GCAB CCOc1ccc([C@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 10977750 KVIQWGNDLBRCJU-LBPRGKRZSA-N 385.424 0.710 0 40 GCAB NC(=O)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc(C(N)=O)c1 12290760 WKESYANGFUCCFT-UHFFFAOYSA-N 376.350 0.120 0 40 GCAB Cc1nn2c(=O)cc(COC(=O)CN3C(=O)c4ccccc4C3=O)nc2s1 15733969 HZZHCXMQCHDOMS-UHFFFAOYSA-N 384.373 0.799 0 40 GCAB O=C(Cn1cncn1)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 19749521 ZJBRATLLWFGNFT-MRXNPFEDSA-N 391.453 0.103 0 40 GCAB CN(C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 19797459 PCLZWTFUASXQBO-CYBMUJFWSA-N 386.451 0.012 0 40 GCAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 20354923 MVQICEIAXSZQMC-UHFFFAOYSA-N 392.460 0.353 0 40 GCAB COc1cc2nc(CSCC(=O)N[C@@H](C)C(=O)O)[nH]c(=O)c2cc1OC 20744574 NKXGRRQLGYUKLU-QMMMGPOBSA-N 381.410 0.763 0 40 GCAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 24778342 VVUXKCIZYSYUJL-UHFFFAOYSA-N 393.465 0.443 0 40 GCAB Cc1ccccc1-c1nnn(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 31629413 XMQBSRXWHODVTO-UHFFFAOYSA-N 380.412 0.486 0 40 GCAB CC[C@@H](C)NC(=O)COC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC 32911235 HFQRKCNEBAIGSA-SECBINFHSA-N 382.413 0.558 0 40 GCAB CCCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 42497593 XPPPELBKGNZQCD-CQSZACIVSA-N 383.518 0.168 0 40 GCAB CN(C)c1nc(N)nc(CS(=O)(=O)CCC(=O)Nc2ccc(F)cc2)n1 48236070 PIYPXTBWLJSIDD-UHFFFAOYSA-N 382.421 0.603 0 40 GCAB Cc1ncc(-c2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2)o1 64297165 WYJJMXIZKFGZLC-UHFFFAOYSA-N 392.437 0.740 0 40 GCAB CC(=O)N1CCN(c2ncc(S(=O)(=O)c3cccc(C)c3)c(N)n2)CC1 71772138 RLXKOVXGUIXFKZ-UHFFFAOYSA-N 375.454 0.869 0 40 GCAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12 72347015 ZATVNBZASWPHGI-CHWSQXEVSA-N 384.440 0.631 0 40 GCAB O=C(c1ccc2c(c1)COCO2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998934 GDVQRRAWFQTAKW-MRXNPFEDSA-N 396.465 0.820 0 40 GCAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)Cc4ccccn4)C3)nc2n(C)c1=O 257205506 AZJUEHHYSCBQAJ-CYBMUJFWSA-N 379.420 0.586 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)[C@@H]1O 257315177 VAGKEBCYEKWAKR-FPQZTECRSA-N 387.400 0.020 0 40 GCAB Cc1c(CCC(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cnn1C 585274486 YTNWVQUVQHSMFQ-UHFFFAOYSA-N 378.410 0.497 0 40 GCAB CN1C(=O)c2ccc(S(=O)(=O)NC(=O)c3c(C4CC4)cnn3C)cc2C1=O 685938896 NLTYNDYQLTYAGM-UHFFFAOYSA-N 388.405 0.642 0 40 GCAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 4337166 IWUAXJQHMBHJNY-SFHVURJKSA-N 397.431 0.926 0 40 GCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)NC(=O)Cc1ccccc1 7785475 HUYBNICVCUAKTJ-UHFFFAOYSA-N 384.388 0.854 0 40 GCAB COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCOCC1 8560598 MGPMTCOUABWUHY-CYBMUJFWSA-N 384.454 0.625 0 40 GCAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ccc2nnnn2n1 8766891 OAYKEDCBAOFIPJ-GFCCVEGCSA-N 376.446 0.329 0 40 GCAB CCCOc1ccnc2c1c(=O)n(CC(=O)NC[C@@H]1CCCO1)c(=O)n2C 9571982 IYHABXQYHRUZTF-LBPRGKRZSA-N 376.413 0.179 0 40 GCAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1 19017040 HIYYVWVFEPEDRZ-CYBMUJFWSA-N 384.440 0.353 0 40 GCAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C2=O 19700003 DSNRWAAQBNYLJH-HOTGVXAUSA-N 392.500 0.953 0 40 GCAB Nc1nc2c(cc1C(=O)N1CCCC1)CN(C(=O)COC[C@H]1CCCO1)CC2 19701143 ZOOFYETVERBOEZ-OAHLLOKOSA-N 388.468 0.980 0 40 GCAB Cc1cccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1C 20567909 SJCVCXANPQYXDN-UHFFFAOYSA-N 383.514 0.908 0 40 GCAB COC(=O)[C@@H](CN1CCN(CC(=O)NC(C)(C)C)CC1)[C@H](O)c1ccncc1 22922027 JMTXEBRTWXUXRZ-FUHWJXTLSA-N 392.500 0.437 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 23040300 UNLIBQKQFSACSA-OAHLLOKOSA-N 386.495 0.095 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccccc2F)NC(=O)N[C@H]1C 23074794 BGRJONCJAMWYDZ-JTQLQIEISA-N 393.371 0.617 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@@H]21 32912448 MNQKWUDGRYGYTO-GWCFXTLKSA-N 388.467 0.095 0 40 GCAB C[C@@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)CN1CCCC1=O 70004504 JIYQVYHVDCUVPJ-XHDPSFHLSA-N 376.379 0.935 0 40 GCAB C[C@@H](C(=O)N1CCNC(=O)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327649 SDWQXDXLYUVAHD-LHSJRXKWSA-N 399.447 0.750 0 40 GCAB CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(S(=O)(=O)N(C)C)CC2 96260456 JGSKEWNKKWSQRO-UHFFFAOYSA-N 383.518 0.811 0 40 GCAB Cc1ccnc(SCCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 96306438 LCKDMTOJLFMANH-UHFFFAOYSA-N 387.469 0.914 0 40 GCAB CN1CCN(CC2CCN(C(=O)c3ccc(CS(C)(=O)=O)o3)CC2)CC1 101693550 RDZKVSBXPKTIGD-UHFFFAOYSA-N 383.514 0.924 0 40 GCAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)c4cccnc4)CCO3)nc2n(C)c1=O 257318770 VPGJXQCATSXNBA-OAHLLOKOSA-N 381.392 0.241 0 40 GCAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)n1 390828516 RNVSSJZXPUKRSO-CQSZACIVSA-N 396.469 0.415 0 40 GCAB CN(C)c1nc(CNC(=O)Cn2c(=O)oc3ccccc32)nc(N2CCCC2)n1 575606417 ICSUCUPFNGIJJS-UHFFFAOYSA-N 397.439 0.762 0 40 GCAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1c(O)nc2ncccc2c1=O 575610009 JVTBVTZYXSGQOP-SNVBAGLBSA-N 377.401 0.527 0 40 GCAB CCOC(=O)[C@]12CCCN(C(=O)c3ncn(C)n3)C[C@H]1CN(c1ncccn1)C2 585108078 QMHHGDXSUKDAAJ-LIRRHRJNSA-N 399.455 0.527 0 40 GCAB CC(=O)NC[C@]1(O)CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O 585270372 IJQOCDIOUOWMNO-UYAOXDASSA-N 388.468 0.433 0 40 GCAB Cn1nccc1C(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585283470 OPIATDYAFPZDEX-SFHVURJKSA-N 376.388 0.725 0 40 GCAB CC(=O)N1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)C[C@H](O)C1(C)C 585291700 RVAJZGVXMUWBPB-WRFKIARRSA-N 393.528 0.875 0 40 GCAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(CCn5nccn5)C[C@H]4C3)ncn2)n1 585616743 RROKRAYGVPJPOG-IRXDYDNUSA-N 379.472 0.939 0 40 GCAB C[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)C1 595107548 XLULFSWAEDEZOM-QYRWSJFESA-N 377.466 0.717 0 40 GCAB O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 628092834 VYZVTMQYOHFKRB-BPQIPLTHSA-N 379.501 0.916 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)[C@H]1CCOC1)C2 1565555655 MJQUUZCMVITWPZ-KBXCAEBGSA-N 377.466 0.951 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)N5CCOCC5)C[C@@H]4C3)n1)CCC2 1888900786 CPNMVTMELILHPY-GJZGRUSLSA-N 393.513 0.219 0 40 GCAB Cc1cc(C)n(-c2ccc(N3CCN(c4cc(=O)n(C)c(=O)n4C)CC3)nn2)n1 1889141283 LLVKTPMMVPAHFW-UHFFFAOYSA-N 396.455 0.003 0 40 GCAB O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 922640 WBLHCIJKGPBTJF-UHFFFAOYSA-N 386.451 0.779 0 40 GCAB Nc1nc(SCc2ccccc2)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1 4769188 HEWUQFYYFBVBKP-GXCBOPRBSA-N 389.437 0.312 0 40 GCAB CC1(C)O[C@H]2O[C@@H]3[C@H](CN(CCO)CCO)O[C@H](c4ccccc4)O[C@H]3[C@H]2O1 4777763 JPIUOZKQJVBYHJ-QZIZDEJHSA-N 395.452 0.632 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)NC(=O)N[C@H]1C 6886639 ZHZZSPRGEDCAEZ-JHXNIKBNSA-N 397.453 0.502 0 40 GCAB CCCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11904208 FLRXQEFJPSMPDZ-UHFFFAOYSA-N 376.456 0.840 0 40 GCAB O=S(=O)(c1ccc(CNc2ccc3nnnn3n2)cc1)N1CCOCC1 12890023 XABGHRGEHDGWOQ-UHFFFAOYSA-N 375.414 0.152 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 12912864 RNBGKLIKSQEDBR-UHFFFAOYSA-N 381.498 0.964 0 40 GCAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c1 13685937 GSQBMJZNFKIWDR-CYBMUJFWSA-N 398.423 0.969 0 40 GCAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 15955972 STPHZLVZJPSQCI-GOSISDBHSA-N 390.392 0.822 0 40 GCAB biogenic CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)CC1 19016823 BJFDEXKRHAZAEH-HNNXBMFYSA-N 385.468 0.566 0 40 GCAB CCc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O 20567901 CTGZGRBHQTVHOK-UHFFFAOYSA-N 383.514 0.854 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)CCN1 24538076 RKNZYZULSJWRQZ-UHFFFAOYSA-N 393.490 0.841 0 40 GCAB COC(CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)OC 25108630 ZOYOUWLVMPZEGB-GFCCVEGCSA-N 393.396 0.351 0 40 GCAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCOCC3)nc1)CS2 26690876 OOCMYTFZWGLIPY-KBXCAEBGSA-N 376.482 0.988 0 40 GCAB O=C(NCc1cccs1)C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 43943300 VDEFEFYCQCOIDB-UHFFFAOYSA-N 385.511 0.685 0 40 GCAB COC(=O)c1cnc(NC[C@H]2CCOC2)c(S(=O)(=O)N2CCOCC2)c1 48288685 WLOHDRIUTVJXPW-GFCCVEGCSA-N 385.442 0.338 0 40 GCAB O=c1c2cnc(NCCN3CCOCC3)nc2nc(O)n1Cc1ccccc1 77100700 WXNDEAGOXMIEJJ-UHFFFAOYSA-N 382.424 0.685 0 40 GCAB Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@@H]3CS(=O)(=O)C[C@H]3O)C2)cc1 84155188 YPVYBFLEBGMAGZ-USXIJHARSA-N 381.498 0.986 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cc(C)on1)C2 96050452 BPRSHAKRWPFMJG-SFHVURJKSA-N 386.412 0.197 0 40 GCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3S(C)(=O)=O)CCO2)cn1 97012897 DVQUTALABGMVAE-CYBMUJFWSA-N 385.467 0.586 0 40 GCAB COc1ccc(C(=O)N2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1Cn1cccn1 257240451 HTNVMGJTMHGCNQ-MRXNPFEDSA-N 385.424 0.098 0 40 GCAB COCc1noc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)n1 585085568 PKPUWIWJMDQTEN-CQSZACIVSA-N 377.445 0.261 0 40 GCAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(C(=O)O)CC3)CC2)c1 649455838 GXKKIDCWCXEZSG-UHFFFAOYSA-N 380.422 0.239 0 40 GCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1cccc(Cl)c1)C2)N1CCOCC1 1547201142 MCDQJRKRWHUZGI-UHFFFAOYSA-N 377.788 0.545 0 40 GCAB COc1ccc(C(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)c(OC)c1 1614929346 HUASOKZXCFIAFZ-MLGOLLRUSA-N 384.454 0.436 0 40 GCAB Cn1cnc2c1c(=O)n(CCCSc1nnc3n1CCCCC3)c(=O)n2C 6097201 JGAXYFRAFXRVDY-UHFFFAOYSA-N 389.485 0.934 0 40 GCAB NC(=O)c1ccc(-c2nnn(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)n2)cc1 9155560 MFKWUPVVNHWVDL-UHFFFAOYSA-N 393.407 0.886 0 40 GCAB COCCn1c(C)cc(O)c(Cc2c(O)cc(C)n(CCOC)c2=O)c1=O 10217777 QXPJXMKAZIEAEE-UHFFFAOYSA-N 378.425 0.922 0 40 GCAB O=C1NCC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc21 12225486 MRJCXMDAUSESHL-CYBMUJFWSA-N 378.450 0.605 0 40 GCAB Cc1nnc2ccc(N3CCN(C(=O)COc4ccc5c(c4)OCO5)CC3)nn12 13700383 MRMSPTNTAJLPQQ-UHFFFAOYSA-N 396.407 0.889 0 40 GCAB O=CN1CCN(C(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)CC1 23216215 AYJUEIPIZBUONG-UHFFFAOYSA-N 388.468 0.305 0 40 GCAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N[C@H]1CCS(=O)(=O)C1 44893415 LFEVVWXFLJSDCB-NSHDSACASA-N 381.841 0.867 0 40 GCAB C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2NC1=O 71553413 IAHFGUVLGCOKPA-LBPRGKRZSA-N 389.437 0.707 0 40 GCAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCN(c3ncccn3)CC2)C1 95999822 KKQRASMVYNRAHZ-UHFFFAOYSA-N 387.465 0.453 0 40 GCAB COc1ccccc1CC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206905377 LXBFFDYCNWLKKW-UHFFFAOYSA-N 379.424 0.957 0 40 GCAB Cc1cccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 220138246 FTMPUAGYZDTZNC-MRXNPFEDSA-N 383.514 0.988 0 40 GCAB Cn1cc(CN2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cn1 306129643 IITXXIKJCQCVJT-LJQANCHMSA-N 386.456 0.429 0 40 GCAB CNC(=O)NC[C@@H]1CN(c2nc(N)c3cc(OC)c(OC)cc3n2)CCO1 528121433 MGTYUAUQOJHHLE-SNVBAGLBSA-N 376.417 0.363 0 40 GCAB CCN1C[C@]23CN(C(=O)c4nc5ccccn5c4C)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565547083 NBUHWEJBDMBWQR-QWQRMKEZSA-N 390.465 0.660 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 12853541 WPUKWQFWFJDGED-HNNXBMFYSA-N 376.390 0.915 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1ccnc(N2CCCC2)n1 19238941 NCVYTLKHAWORNK-HUUCEWRRSA-N 395.467 0.777 0 40 GCAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 36384061 WXTWOQSSWDWGFK-UHFFFAOYSA-N 386.543 0.882 0 40 GCAB Cc1ccc(-n2cc(S(=O)(=O)N[C@@H]3CC(=O)N(C(C)C)C3=O)cn2)cc1 72313129 ALDXXVYTSBQJPR-OAHLLOKOSA-N 376.438 0.995 0 40 GCAB Cc1c([C@H]2C[C@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C 72335091 NLBSOYLOSOSANV-ZIAGYGMSSA-N 383.499 0.686 0 40 GCAB CC(C)(C)n1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 95998983 AMWWDQCDIDEQBG-OAHLLOKOSA-N 384.502 0.905 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 96376999 WDTVITPZHLVUIS-UHFFFAOYSA-N 388.873 0.871 0 40 GCAB CC(=O)OC[C@@H]1O[C@H](n2ccc(O)nc2=S)[C@@H](OC(C)=O)[C@H]1OC(C)=O 102987251 YKDNCFTUUKOENT-PYJNHQTQSA-N 386.382 0.642 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCc2ccnn2C)CCN1CCc1ccccc1 257264038 LSPZPTJGVAYRLH-LJQANCHMSA-N 383.496 0.854 0 40 GCAB O=S1(=O)NC(CN2CCN(S(=O)(=O)C3CC3)CC2)=Nc2ccccc21 528615247 YTHNDYVECQNAHX-UHFFFAOYSA-N 384.483 0.118 0 40 GCAB CN(C)C(=O)CN1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC=CCC1)CCO2 1565545697 LAWIMMSKMIODDJ-VQTJNVASSA-N 379.501 0.751 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cc(C)n(C)n5)C[C@@H]4C3)nn12 1888904237 FDHXEGGBLBPPPS-KBPBESRZSA-N 380.456 0.937 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCO[C@H]3CC[C@H]2[C@H]3Oc2ncccc2F)c1 2055745707 VZLGONOEXUBXMU-KCQAQPDRSA-N 382.417 0.954 0 40 GCAB COCCNC(=O)[C@H]1CN(S(=O)(=O)c2sccc2C)C[C@H]2OCC[C@H]21 2055746218 BIKJIOKTXSPIHN-MELADBBJSA-N 388.511 0.845 0 40 GCAB CC(C)(C)OC(=O)NCC(=O)OC[C@H](NC(=O)OCc1ccccc1)C(N)=O 4015553 DDNYNHVUFLBPPT-ZDUSSCGKSA-N 395.412 0.835 0 40 GCAB CCCc1cc(O)nc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1 9712264 GFLMPCACXLGLOM-UHFFFAOYSA-N 377.426 0.877 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12234802 KBHARVCVVDVJHR-AWEZNQCLSA-N 383.445 0.716 0 40 GCAB NC(=O)c1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc(C(N)=O)c1 12876091 XOFJSJJEERPFBF-UHFFFAOYSA-N 390.421 0.103 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCC(C(N)=O)CC1 13041105 HADPDJOAPJIKSR-UHFFFAOYSA-N 382.486 0.381 0 40 GCAB O=C1C[C@H](NC2CC2)C(=O)N1c1ccc(N2C(=O)C[C@@H](NC3CC3)C2=O)cc1 13388237 CYDURKKWJKRXOC-IYBDPMFKSA-N 382.420 0.454 0 40 GCAB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@]2(O)C(=O)CO 38231293 VTKZCTNCIDPUEE-UKSDXMLSSA-N 378.465 0.754 0 40 GCAB biogenic,in-vitro COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 48331428 HWRIQOWJIAKVEK-NSHDSACASA-N 395.437 0.035 0 40 GCAB COC(=O)[C@H](C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 49550421 JTEFYMTUJRWTIR-HNNXBMFYSA-N 399.451 0.248 0 40 GCAB CC(C)(C)OC(=O)N([C@@H](CC(=O)O)C(=O)O[C@H]1CC(=O)NC1=O)C(C)(C)C 100499002 RJWYZHDRZJNCSZ-UWVGGRQHSA-N 386.401 0.824 0 40 GCAB Cc1cc(NC(=O)CN2CCC3(CCOCC3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1116161648 RPLRFLDBWKLRDN-OAHLLOKOSA-N 396.513 0.992 0 40 GCAB COCCCNC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547201024 QKEDOAAHJHSTNV-UHFFFAOYSA-N 379.804 0.839 0 40 GCAB COC1(CC(=O)N2CCOC[C@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)CCC1 1565548546 FBXCYVNNJLNIAL-JXFKEZNVSA-N 391.468 0.979 0 40 GCAB O=S(=O)(NCCO)c1cnc(N2CC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 1615053364 HWJPNQZLTBRKKR-AWEZNQCLSA-N 395.403 0.988 0 40 GCAB Cc1cc(=O)n(CC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)cn1 1888876300 LOXQNZDDACAKAN-HZPDHXFCSA-N 394.479 0.734 0 40 GCAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCCC(=O)O 5268800 LQFWOBJHXHCORT-NWDGAFQWSA-N 379.388 0.664 0 40 GCAB O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 7942774 WCEJVYCIDINJPH-UHFFFAOYSA-N 382.829 0.570 0 40 GCAB CCOC(=O)N1CCN(C(=O)Cc2csc(NS(C)(=O)=O)n2)CC1 9421046 FSITTYBAIYNDIC-UHFFFAOYSA-N 376.460 0.358 0 40 GCAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCCO1)c(=O)n2C 9571654 HEWBYPQLBLHFMW-LBPRGKRZSA-N 376.413 0.098 0 40 GCAB COC(=O)CN1C(C)=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc21 20674214 QRJKWNRDGAWRKT-SFHVURJKSA-N 397.435 0.993 0 40 GCAB CCCCNC(=O)CN1CCN(CC(=O)NCCc2ccccc2OC)CC1 22845926 SNKCAAAVIISVFC-UHFFFAOYSA-N 390.528 0.888 0 40 GCAB COCCn1cnnc1S[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)OC 95447051 YUAGGRLHZBREAZ-CYBMUJFWSA-N 390.421 0.854 0 40 GCAB CN1CCn2c(-c3ccnn3C)cnc2C12CCN(C(=O)N1CCOCC1)CC2 96062637 JNACVWVGOONAID-UHFFFAOYSA-N 399.499 0.972 0 40 GCAB NC(=O)COc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1 256027930 KDFRBEQQEYHSHX-ZROIWOOFSA-N 379.401 0.625 0 40 GCAB CCS(=O)(=O)N(CC(=O)NCCCN(C)C)c1ccc2c(c1)OCCO2 408705976 RUXFEAUPZBZHLN-UHFFFAOYSA-N 385.486 0.682 0 40 GCAB COC1(CNC(=O)/C=C/c2ccc3c(c2)OCO3)CCN(S(C)(=O)=O)CC1 1889208820 OIQIXVJBOPAMAQ-GQCTYLIASA-N 396.465 0.985 0 40 GCAB Cc1ccc(S(=O)(=O)NCCOc2nc(N(C)C)nc(N(C)C)n2)cc1 2060111 VTDJEQJMKHXMDW-UHFFFAOYSA-N 380.474 0.669 0 40 GCAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NC1CC1 4357550 QBLDPKIZNVBROC-HNNXBMFYSA-N 399.444 0.266 0 40 GCAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 5060409 VCRBBIURGUHWFU-ZDUSSCGKSA-N 397.497 0.865 0 40 GCAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[C@H]1CCS(=O)(=O)C1 6947394 KYPYLNLZTJEHQS-SCLBCKFNSA-N 391.449 0.073 0 40 GCAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1 8116307 JQRPYYMRZBRWLJ-UHFFFAOYSA-N 392.481 0.738 0 40 GCAB CN(CCCC(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(F)cc1 8279604 LFXKPZZDOHLLLU-CYBMUJFWSA-N 385.461 0.950 0 40 GCAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c(C)c12 9134617 NQBXDVYBKVTZNE-CHWSQXEVSA-N 395.433 0.235 0 40 GCAB COC(=O)[C@H](C)NC(=O)CSCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 11866025 FLRADAQWSYZXBG-VIFPVBQESA-N 395.437 0.851 0 40 GCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)n(C)n1 12812236 UNPDFKPNSYIXJC-UHFFFAOYSA-N 391.497 0.815 0 40 GCAB CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)OCO2 16044419 KQMXWPYUGHHIIT-UHFFFAOYSA-N 399.363 0.004 0 40 GCAB Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccco1 18023974 TVZSPDHTNSUHEK-VIFPVBQESA-N 393.425 0.585 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(F)c(F)c1 19991873 UYCPVDZWVIXUST-UHFFFAOYSA-N 391.440 0.569 0 40 GCAB C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 21064567 UTXQMLADFJQYMN-OKILXGFUSA-N 375.535 0.662 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N(C)Cc1c(F)cccc1Cl 21842320 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O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1 253394157 AMQVSSWTAHFRCB-DAXOMENPSA-N 394.449 0.955 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1 257336218 YNOWJWKXRQNNET-NRFANRHFSA-N 388.512 0.968 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 572410058 MGXZHKXSRTUWCW-GFCCVEGCSA-N 398.428 0.386 0 40 GCAB COc1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(N(C)C)n1 575603970 MYMFOEVINFCMCT-NSHDSACASA-N 388.403 0.755 0 40 GCAB COCc1csc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 618531015 OFJOBLJYUYEEHW-HNNXBMFYSA-N 381.498 0.691 0 40 GCAB CN(Cc1ccccc1)C(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 663254171 VWTLRJPRANZITG-HNNXBMFYSA-N 399.469 0.285 0 40 GCAB CCN(CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)o1 681091203 ZATKOQZWKFLFMW-UHFFFAOYSA-N 396.473 0.386 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@@H]2C1 1614931143 UAFYEXORLUHLBA-VXGBXAGGSA-N 393.387 0.833 0 40 GCAB Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 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COc1ccc(NC(=O)C(=O)N2CCOCC2)cc1N1CCCCS1(=O)=O 40287882 PSFUMLNYDITMFG-UHFFFAOYSA-N 397.453 0.423 0 40 GCAB CCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 44170776 PDSKBUAUOWCIII-NQNKBUKLSA-N 389.401 0.069 0 40 GCAB O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)[C@@H]3CCOC3)CC2)O1 96243627 BYKCFCQIORGIMW-CVEARBPZSA-N 388.468 0.662 0 40 GCAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCNC(=O)C1)NC2=O 247969890 UGEIRJRXKBCALD-CTSYGLHRSA-N 399.447 0.908 0 40 GCAB CN(C)[C@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)c1cccc(F)c1 558347174 OCGCDZLSLHZDOF-OAHLLOKOSA-N 387.477 0.667 0 40 GCAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CCc2ccc3c(c2)OC(F)(F)O3)C1=O 585093545 RYODENWYNUKEGA-JTQLQIEISA-N 390.364 0.906 0 40 GCAB Cn1cnc2c(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ncnc21 731974340 JRDDUWOVEDVSAW-UHFFFAOYSA-N 383.437 0.634 0 40 GCAB CC(=O)NCCN(c1ncnc2c1ncn2C[C@]1(O)CCO[C@@H]1C)C(C)C 1614994991 RPVKEAPCKBQSPI-FZKQIMNGSA-N 376.461 0.717 0 40 GCAB Cn1c(SCC(=O)N2CCOCC2)ncc(C(=O)Nc2ccccc2)c1=O 4376122 YHPYWOVTRXUQRB-UHFFFAOYSA-N 388.449 0.984 0 40 GCAB O=C(NCCO)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 4519440 ALMXRVCHWDKLHK-AWEZNQCLSA-N 382.463 0.488 0 40 GCAB Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(C)c1S(=O)(=O)N1CCCCC1 7781835 BPGDHQUKYSTSAP-HNNXBMFYSA-N 384.502 0.970 0 40 GCAB O=C(NCc1ccco1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 9600528 CPBQUQZQTACRBL-LBPRGKRZSA-N 399.450 0.121 0 40 GCAB C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1 12604130 UUTZWLRBDZFYLC-JTQLQIEISA-N 375.816 0.965 0 40 GCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)no1 12925677 CANVTMGKABCWQH-UHFFFAOYSA-N 385.490 0.516 0 40 GCAB O=C(CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1)NC1CC1 14167817 GXUWSHUXAWZMDV-OAHLLOKOSA-N 390.509 0.776 0 40 GCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C1=O 17288361 AMWLCCRVGGYPDP-UHFFFAOYSA-N 394.453 0.740 0 40 GCAB CCc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)on1 19522793 AFSOVLCCPXKGLK-GFCCVEGCSA-N 381.458 0.688 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)N2CCCC2)cc1 22228538 DUCVOWBCHUFISJ-UHFFFAOYSA-N 381.498 0.998 0 40 GCAB Cc1nnc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n(N)c1=O 32745146 VXQDFUZBBUIZHZ-NSHDSACASA-N 377.426 0.051 0 40 GCAB CN(CC(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1)S(C)(=O)=O 36687548 XNGYYKNDEHBNLK-UHFFFAOYSA-N 386.474 0.975 0 40 GCAB O=C(Cn1ncccc1=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 36708984 NOGFWFTXLDKLSR-UHFFFAOYSA-N 383.408 0.138 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(n2cccc2)CC1 58111402 FZFOSXSBNXOGMJ-OAHLLOKOSA-N 392.481 0.817 0 40 GCAB OC[C@H]1O[C@H](Oc2cccc3cc(Br)ccc23)[C@@H](O)[C@@H](O)[C@@H]1O 71792251 TUKFMAZUSUKHIY-OWYFMNJBSA-N 385.210 0.781 0 40 GCAB CC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 96936881 RJSPKAHFGWYXLC-UHFFFAOYSA-N 388.468 0.304 0 40 GCAB O=C1CN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)CCN1 101496697 REVWJINPWXQUCD-OKILXGFUSA-N 397.472 0.869 0 40 GCAB COC(=O)c1cc(C)nc2nc(S)n(CC(=O)NCC(F)(F)F)c(=O)c12 102772586 OEBCQVSMCNBUQU-UHFFFAOYSA-N 390.343 0.854 0 40 GCAB CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 227028009 JAMUNSUIXBIERM-BYNSBNAKSA-N 391.442 0.829 0 40 GCAB CN1CCN(C[C@@]2(O)CCCN(C(=O)c3cc4c(nc3O)CCC4)CC2)CC1 257255299 KGZFCYGSOKWDFM-OAQYLSRUSA-N 388.512 0.881 0 40 GCAB CS(=O)(=O)N1CC[C@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@H]2C1 306130934 JSVJBRRUNYZQTG-DLBZAZTESA-N 378.498 0.798 0 40 GCAB COc1ncccc1CN1Cc2ccnn2[C@@H](CNS(=O)(=O)C2CC2)C1 306131044 JVHGQKMVORSNBM-HNNXBMFYSA-N 377.470 0.925 0 40 GCAB NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)cc1 575609677 ZRZMGKAHUWWUMK-UHFFFAOYSA-N 387.465 0.575 0 40 GCAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCCNc1ncccn1 1213624382 QFLYKOBBLIVHKM-UHFFFAOYSA-N 379.442 0.577 0 40 GCAB Cn1cnc([C@@H]2CN(S(=O)(=O)CC3CC3)C[C@H]2C(=O)N2CCOCC2)c1 1614995473 ALBIHZPXMHNLRW-HUUCEWRRSA-N 382.486 0.034 0 40 GCAB CC(=O)N[C@H]1C[C@H]2CN(CC3CCCC3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332241996 HWRBTCOMOXWHQO-BZSNNMDCSA-N 376.501 0.493 0 40 GCAB O=C(COc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243227 TVTZABXTGWNNQD-INIZCTEOSA-N 391.449 0.357 0 40 GCAB CNC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)c1ccc(Br)cc1 662339 LEJKNVVCMGPEGB-SNVBAGLBSA-N 399.270 0.658 0 40 GCAB O=C(CCN1C(=O)c2ccccc2C1=O)OCn1nnc2ccccc2c1=O 3430225 RYGQFSNXZKXEOJ-UHFFFAOYSA-N 378.344 0.979 0 40 GCAB COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4cccn4C)CCN3C2=O)cc1 4270964 RNVOWTQOJBMLEL-FUHWJXTLSA-N 396.447 0.428 0 40 GCAB biogenic,in-vitro CN(C(=O)CSc1nnc(-c2ccncc2)n1C)[C@@H]1CCS(=O)(=O)C1 6138795 XGFBRLQIJVUFPK-GFCCVEGCSA-N 381.483 0.615 0 40 GCAB CN1CCN(c2nc(N)nc(N)c2S(=O)(=O)c2ccc(Cl)cc2)CC1 6677880 WLMKWQNZKICNJJ-UHFFFAOYSA-N 382.877 0.879 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n([C@@H](C(=O)NC2CC2)c2ccccc2)c1 7989837 ZILJKMHUQOUAEJ-QGZVFWFLSA-N 375.450 0.967 0 40 GCAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 8985896 RKMQSALCLJJFAM-UHFFFAOYSA-N 397.497 0.744 0 40 GCAB CC[C@H](C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@@H](CO)C(=O)O 8994206 CBAMZYHLLIRXIF-WBIUFABUSA-N 392.412 0.781 0 40 GCAB biogenic C[C@H]1C[C@H]1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12925800 CJBWQWZIHNCQQZ-XJKSGUPXSA-N 395.481 0.096 0 40 GCAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14100799 YPTPHNPBDSTXIQ-UHFFFAOYSA-N 379.482 0.934 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 14211669 LQXHZBVEWPZUGM-UHFFFAOYSA-N 388.453 0.883 0 40 GCAB CN1CCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19589975 KVAOBPZEUFDYMH-QGZVFWFLSA-N 387.528 0.923 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccn3)cc2)CCN1 24544528 UZBMAOSBTQTSKW-UHFFFAOYSA-N 388.449 0.175 0 40 GCAB CN(C(=O)COC(=O)[C@H]1CSc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 62582517 KWKADPQCZZHMJA-DGCLKSJQSA-N 385.463 0.728 0 40 GCAB NC(=O)[C@@H]1CN(CC(=O)NCC2CC2)c2ccccc2N1CC(=O)NCC1CC1 89865584 JEWHYTIQSLWWTG-SFHVURJKSA-N 399.495 0.219 0 40 GCAB COC[C@H](C)C(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108367138 DVNGAJBVOFYLCX-HRCADAONSA-N 381.498 0.533 0 40 GCAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 223291345 UTJGMOPGHPDNHQ-NYYWCZLTSA-N 395.462 0.894 0 40 GCAB COc1ccccc1C(=O)N1CCN2[C@@H](C1)CN(S(C)(=O)=O)CC2(C)C 253395955 CUMTVHKMOOQNPN-AWEZNQCLSA-N 381.498 0.875 0 40 GCAB biogenic,in-vitro CCS(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 306123656 ATFZHZGFBXHLDE-CABCVRRESA-N 389.481 0.662 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C)n3n2)C1 585606663 CSKCEQBBONCFER-UHFFFAOYSA-N 377.430 0.547 0 40 GCAB CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cnc(C3CC3)nc2N)cn1 588694061 YBEBCQUINBMHLL-AWEZNQCLSA-N 390.469 0.765 0 40 GCAB CC(C)CNC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)c3csnn3)C1)OC2 1565554565 AKNDHJHMDLAVJG-INIZCTEOSA-N 391.457 0.331 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC(COc3ccc4nccn4n3)CC2)cn1 1888903939 JOJJNQPQLLTACV-UHFFFAOYSA-N 376.442 0.943 0 40 GCAB Cc1c(NC(=O)COC(=O)c2nccnc2N)c(=O)n(-c2ccccc2)n1C 3569030 PDCJYPJGXRVBEF-UHFFFAOYSA-N 382.380 0.652 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)C(=O)NC4=O)ccc21 5034808 XQWDVFZOZFSZTQ-UHFFFAOYSA-N 386.389 0.561 0 40 GCAB COC(=O)c1c(C)n(S(C)(=O)=O)c2cc(OC)c(NS(C)(=O)=O)cc12 6142929 VIGNJOCIXKMMRV-UHFFFAOYSA-N 390.439 0.924 0 40 GCAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 6997338 FLXVCBSVJFROOQ-UHFFFAOYSA-N 389.433 1.000 0 40 GCAB NC(=O)c1ccc(OCC(=O)NC(=O)NC[C@H]2COc3ccccc3O2)cc1 7738094 WTUPGIJVTCSABR-AWEZNQCLSA-N 385.376 0.830 0 40 GCAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)CC(=O)NC3CC3)CC2)c(F)c1 10055994 XBMGJQPCBAAZCV-UHFFFAOYSA-N 390.459 0.887 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1C(N)=O 13011434 GHDBNBMLTQUGCY-UHFFFAOYSA-N 394.428 0.410 0 40 GCAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 16313873 JDSCYJUXIDNWRR-UHFFFAOYSA-N 380.378 0.700 0 40 GCAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cnc2c(cnn2C)c1=O 23184302 AOEJWPKBTZTUEN-ZDUSSCGKSA-N 383.408 0.819 0 40 GCAB COCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)ccc1=O 49590304 HHWGPZSJCQLIHP-UHFFFAOYSA-N 397.395 0.758 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C(=O)c2cnn(C)c2)c1 58250586 OWYVWCOHWCJSOL-UHFFFAOYSA-N 380.426 0.978 0 40 GCAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCC(OC)OC)[C@@H]4C2=O)cc1 85419004 OFHUHVDPVRUHFV-MCNSXXNHSA-N 388.420 0.717 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1=O 90590878 JSIJZYFAKLUKOW-NSHDSACASA-N 397.357 0.770 0 40 GCAB CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)O 95627583 XYAPYBYMGXFYKC-KBPBESRZSA-N 393.444 0.176 0 40 GCAB CNC(=O)C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 577930924 AOMLFMXEJSLRMF-CYBMUJFWSA-N 381.479 0.932 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2csc(N)n2)CCO1 585285279 WWIMEQGNVSEPFU-KRWDZBQOSA-N 394.428 1.030 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]3CNC[C@H]3Cc3ccccc3)C[C@@H]12 1122073841 VAHPIZXLQQDBLZ-SFFUCWETSA-N 378.494 0.335 0 40 GCAB COc1cc(C(=O)NCCNC(=O)[C@H]2CCCNC2=O)cc(OC)c1OC 4976705 LHJVSFYFKJBHRT-LBPRGKRZSA-N 379.413 0.085 0 40 GCAB C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 11694222 PZILQJRWMFSOJR-QWHCGFSZSA-N 383.445 0.573 0 40 GCAB COCCN(Cc1occc1C(=O)OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12748090 ZRTLJTKTZLIMHK-UHFFFAOYSA-N 394.428 0.807 0 40 GCAB O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N[C@H](CO)Cc1ccccc1 13722513 CWKBGAIOFYMOAT-SFHVURJKSA-N 379.420 0.985 0 40 GCAB O=C(c1ccncc1)N1CCC[C@@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 19404909 BSZPBAHZKNGELB-OAHLLOKOSA-N 384.440 0.698 0 40 GCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929947 RSFBVPXJXADLEN-UHFFFAOYSA-N 399.513 0.463 0 40 GCAB Cc1ccc(C)c(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 22934752 YMIUGZAQCQGLAT-UHFFFAOYSA-N 396.557 0.823 0 40 GCAB Nc1c(C(=O)c2ccco2)sc2c1c(=O)[nH]c(=O)n2CCN1CCOCC1 25702806 CPRDPDALHPACBU-UHFFFAOYSA-N 390.421 0.490 0 40 GCAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)c(F)c1 44894182 RTMIYEBLSHITCJ-NSHDSACASA-N 395.412 0.361 0 40 GCAB COc1cccc(C[C@@H](C(=O)NCCCN2CCCC2=O)n2nnnc2C)c1 48291019 VQDHORMYEHZLAN-KRWDZBQOSA-N 386.456 0.903 0 40 GCAB C[C@H](C(=O)N1CCNC(=O)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327648 SDWQXDXLYUVAHD-SZNDQCEHSA-N 399.447 0.750 0 40 GCAB Cc1cccc(Cn2cccc(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2=O)c1 84210732 HERQXEPGFOYTPZ-OAHLLOKOSA-N 375.450 0.708 0 40 GCAB COc1ccnc(N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)n1 96002398 HJCUPHHYKNKRTI-OAHLLOKOSA-N 385.472 0.845 0 40 GCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 97015563 YXQJKMUTYPESGJ-ZDUSSCGKSA-N 383.451 0.571 0 40 GCAB Cn1c(=O)c2cc(S(=O)(=O)NC[C@@H]3C[C@@H]4CC[C@@H]3C4)ccc2n(C)c1=O 100768673 JUQDYHAWPQOVFF-UPJWGTAASA-N 377.466 0.952 0 40 GCAB O=S(=O)(c1ccc(CNC(=S)Nc2ncccn2)cc1)N1CCOCC1 225216477 MQVFXFCJFXYZRH-UHFFFAOYSA-N 393.494 0.984 0 40 GCAB CSCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 230203337 SGPBPIBJNRPJSS-ZIAGYGMSSA-N 380.466 0.994 0 40 GCAB biogenic CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnc(C)nc3)CC2)CC1 257201420 AHQMAJPLQLFRSJ-HXUWFJFHSA-N 389.500 0.743 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 306139729 TYTBXXCZIJLSJD-STQMWFEESA-N 375.454 0.984 0 40 GCAB C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408614338 BBZGUXGBHPUJPB-CABCVRRESA-N 389.452 0.538 0 40 GCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C(=O)c1cccnc1)C2 514290166 UUSFSRGTHVQLSA-ZWKOTPCHSA-N 393.447 0.262 0 40 GCAB biogenic,in-vitro O=C(Cn1cc(C[C@H]2NC(=O)NC2=O)nn1)N[C@@H](c1ccccc1)C1CCC1 583615126 FLFOQYLIKJAPOM-WBVHZDCISA-N 382.424 0.686 0 40 GCAB NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccn2)nc1 615954343 OMNOOQUMNULOFT-AWEZNQCLSA-N 375.454 0.931 0 40 GCAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)CCS(C)(=O)=O)C2 1565555666 MSLQTWXCDQHWRO-UHFFFAOYSA-N 384.502 0.573 0 40 GCAB COCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 4518888 WYHGNUVDCBJJGN-HNNXBMFYSA-N 380.422 0.673 0 40 GCAB COC(=O)C1=C(C(=O)OC)[C@H]2C(C)=CC(C)=CN2C(C(=O)OC)=C1C(=O)OC 4649470 NIAYDOWGZDIMJA-CQSZACIVSA-N 391.376 0.777 0 40 GCAB CO[C@H]1[C@H](COC(C)=O)O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H]1OC(C)=O 4963113 WXKATFNIWVHVSU-AVNXNWIJSA-N 382.398 0.896 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCOC3=O)c2)CC1 6600941 WBXCBPCKEOQVFR-OAHLLOKOSA-N 396.421 0.012 0 40 GCAB CCCNC(=O)Cn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2sccc21 6755631 XJAYNWZCGFOHMY-UHFFFAOYSA-N 392.481 0.763 0 40 GCAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC)cc1 7262448 LIMUKDHNJIMYET-CQSZACIVSA-N 393.465 0.854 0 40 GCAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3ccc(=O)[nH]n3)n2)cc1 12182874 JVFFYBINAMCNOA-LBPRGKRZSA-N 381.392 0.821 0 40 GCAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CN1C(=O)CSC1=O)CC3 13227975 NECYUWXMNOUFDK-UHFFFAOYSA-N 392.462 0.847 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccccc2S(C)(=O)=O)NC(=O)NC1 14199143 JGCJTTCWTXIOSZ-UHFFFAOYSA-N 382.394 0.377 0 40 GCAB C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1Cl 16017548 FIPCNCRDULILHH-SNVBAGLBSA-N 375.816 0.965 0 40 GCAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CC(=O)N(C)C1)C2 19017283 XTCSJJIFTXWVDF-YOEHRIQHSA-N 385.468 0.913 0 40 GCAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)CN3CCCC3=O)C1)CNC2=O 19562818 UHQUYUAGOBCIBC-HXUWFJFHSA-N 387.436 0.801 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 22228444 RZZMUKYWFRHUAS-OAHLLOKOSA-N 397.497 0.327 0 40 GCAB O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)cc2[nH]c1=O 23404577 FBLYNPQELAEFNH-LLVKDONJSA-N 387.417 0.746 0 40 GCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCOCC2)cc1C 28210104 YZBOKBGOPRUVNJ-AWEZNQCLSA-N 382.438 0.542 0 40 GCAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1CCN(c2ncccn2)CC1 32759700 NIHBHJYJVRGUQR-QGZVFWFLSA-N 380.452 0.037 0 40 GCAB Cn1c(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)nc2n(C)c1=O 40069601 MNJGGFYNLQNCCV-OAHLLOKOSA-N 397.435 0.792 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(CCCNS(C)(=O)=O)CC2)c(C)c1 40158325 ANRCJGLIBVWQAR-UHFFFAOYSA-N 389.543 0.549 0 40 GCAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(n2cccc2)CC1 58111409 FZFOSXSBNXOGMJ-HNNXBMFYSA-N 392.481 0.817 0 40 GCAB CN(CCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 78902851 SJQFHGPVUJFQBS-UHFFFAOYSA-N 393.469 0.035 0 40 GCAB CN(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccn1 95998881 BIINRJSUXVWSFL-HNNXBMFYSA-N 382.486 0.414 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169679487 ORPWLMJRWWIUFM-VOAKKNSGSA-N 389.433 0.468 0 40 GCAB Cn1nc(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)ccc1=O 390830828 NSOMYKLMXGYGEI-OAHLLOKOSA-N 379.413 0.921 0 40 GCAB CN(C(=O)CSCC(=O)N1CCn2nnc(CO)c2C1)C1CCCCC1 597677001 FTMWDQIDUXGPTD-UHFFFAOYSA-N 381.502 0.637 0 40 GCAB O=C(c1cncnc1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549162994 ZFAFQYPUUXOYQL-OAHLLOKOSA-N 385.424 0.524 0 40 GCAB O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 5807409 CNMCFXDTJZNDME-XNIJJKJLSA-N 390.421 0.023 0 40 GCAB biogenic COCCCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 8599227 COIUQHYERZCNKW-UHFFFAOYSA-N 385.468 0.723 0 40 GCAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCOCC4)nc12)OCO3 12181226 MQLPJUUTJTUNBS-UHFFFAOYSA-N 384.392 0.799 0 40 GCAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCN(c2ncccn2)CC1 13163809 VUQREQQPFRGMFU-CYBMUJFWSA-N 390.473 0.083 0 40 GCAB C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 22815150 BOPSKQLQQXCMJD-OAHLLOKOSA-N 384.484 0.577 0 40 GCAB COCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2 40556228 ZTDVMBTUAFTIAH-LBPRGKRZSA-N 388.467 0.284 0 40 GCAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1 58298482 NDJDLXOQIWBOIR-UWVGGRQHSA-N 376.381 0.152 0 40 GCAB COC(=O)CCN1CCN(C(=O)CCNC(=O)Cc2ccccc2)C[C@H]1C 95992837 PKYRZVQVZHVIMB-MRXNPFEDSA-N 375.469 0.831 0 40 GCAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCCSc2ncn[nH]2)cc1 222756152 IBBHCRIXQABELT-UHFFFAOYSA-N 385.471 0.342 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)cc1 225787454 WOSAASDHFODFEX-INIZCTEOSA-N 376.434 0.971 0 40 GCAB Cc1n[nH]c(SCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 225842687 DHTCOXLFUXSXBF-UHFFFAOYSA-N 381.483 0.957 0 40 GCAB O=S(=O)(CCC(F)(F)F)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238843607 HZWQGWDISBDHJW-UHFFFAOYSA-N 390.409 0.388 0 40 GCAB CC(=O)N1CCC2(CC1)CCn1cc(C(=O)NCCc3ccccn3)c(=O)nc12 306129717 IKWLJQUVTKDFIK-UHFFFAOYSA-N 395.463 0.895 0 40 GCAB Cn1nc(C(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)ccc1=O 390830164 JENJPJREGKZMHS-UHFFFAOYSA-N 375.450 1.000 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1F)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 519587380 XGMSGZWUTPNTNO-TZMCWYRMSA-N 390.458 0.282 0 40 GCAB C[C@@H]1NC(=O)N(CCN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1=O 573806251 ZCHRKPQYCZFCRJ-AWEZNQCLSA-N 383.452 0.795 0 40 GCAB CN1CCN(C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1 585272278 KDJFJQQLIXAVIX-JOCHJYFZSA-N 388.556 0.703 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@@H]2C1 1614928168 KORDCXXBYZNDGG-BXUZGUMPSA-N 398.872 0.720 0 40 GCAB CCOC(=O)C1(C(F)(F)F)N=C(N2CCOCC2)OC(N2CCOCC2)=N1 2482478 VNSOJTIRXZNCDI-UHFFFAOYSA-N 394.350 0.215 0 40 GCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O 3405800 TVYPCGXWKZGMDG-KRWDZBQOSA-N 398.341 0.879 0 40 GCAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C 6109706 QNHKCZULSBFIDW-GOSISDBHSA-N 396.465 0.270 0 40 GCAB CCn1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c(=O)c2ccc(C)nc21 11222086 PAKSDLNBNVVENY-UHFFFAOYSA-N 384.392 0.479 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1C(N)=O 12745806 UBBZHWGBCQQKLT-UHFFFAOYSA-N 382.467 0.332 0 40 GCAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C2=O 19700002 DSNRWAAQBNYLJH-CVEARBPZSA-N 392.500 0.953 0 40 GCAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCN(C(C)=O)C2 19708461 UXVWCLSLVBESAN-HNNXBMFYSA-N 396.517 0.756 0 40 GCAB CNC(=O)COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O 22852843 ZPBJMXYEDORRPL-UHFFFAOYSA-N 375.381 0.316 0 40 GCAB Cc1cc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)no1 25139253 WKGJEVIVUCBIGQ-UHFFFAOYSA-N 392.437 0.376 0 40 GCAB CCC[C@@H](C)NC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 32691722 AXLFJQISEBCARE-NEPJUHHUSA-N 381.454 0.962 0 40 GCAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 36358413 SKOMQYCKWXGUJU-JQWIXIFHSA-N 383.426 0.271 0 40 GCAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 36365048 YCXXKUAYDGLJOW-QGZVFWFLSA-N 393.509 0.954 0 40 GCAB COCCCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 40287707 PDKGQKCHQHGKIO-UHFFFAOYSA-N 399.469 0.716 0 40 GCAB CS(=O)(=O)Nc1cccc(CNC(=O)COc2ccc(C(N)=O)cc2)c1 48311181 CIJQWWBPHJBRMT-UHFFFAOYSA-N 377.422 0.852 0 40 GCAB CCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260211 RXGYNKXIKHDUMQ-UHFFFAOYSA-N 396.451 0.796 0 40 GCAB Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)n1 100827125 LMHHPCYJUBLDJT-PCQYYQRWSA-N 391.225 0.881 0 40 GCAB COc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)cc1 306125739 DAGGDVBCYBGGHU-NRFANRHFSA-N 398.463 0.999 0 40 GCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 499082234 BUBLNGTYKRZGMA-GFCCVEGCSA-N 376.456 0.461 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C)cc1C 575422377 BMSGCPKUIAWKLL-STQMWFEESA-N 390.483 0.493 0 40 GCAB O=C(Cn1cnc2ncccc2c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1 575618417 BHOLYCSAWPUFMC-UHFFFAOYSA-N 391.435 0.808 0 40 GCAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cnc(O)n(-c2ccccc2)c1=O 575620494 ROIBNCBJXYFGMG-UHFFFAOYSA-N 393.403 0.802 0 40 GCAB C[C](O)[C@H]1C(=O)[N+]2=C(C(=O)O)C(S[C@@H]3CN/C(=C(\O)N(C)C)C3)=C(C)[C@H]12 1560405236 ZYBXOWODEFCMFH-FPMKJJPTSA-O 381.454 0.645 0 40 GCAB CS(=O)(=O)CCC(=O)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565548995 KWPOICOYXNGFGA-CVEARBPZSA-N 395.481 0.092 0 40 GCAB Cc1cc(C2CCCCC2)n(C[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)c(=O)c1 1569989186 UDOGORLVEBQEHE-XBKGKQEASA-N 381.425 0.139 0 40 GCAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)O)ccc12 2146650 RPJHLBJYTWPBPT-UHFFFAOYSA-N 376.365 0.360 0 40 GCAB biogenic C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 3874846 RIRGCFBBHQEQQH-XGFPXAKYSA-N 385.424 0.481 0 40 GCAB C[C@@H](OC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 4985208 MTFHVHKDBMSZNR-GFCCVEGCSA-N 382.438 0.988 0 40 GCAB COC(=O)CNC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678793 VZECIHKANHILCS-UHFFFAOYSA-N 377.378 0.155 0 40 GCAB COCCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@@H]2CS(=O)(=O)C[C@@H]21 9305977 QOXKWRHKQRJNHW-QWHCGFSZSA-N 384.479 0.677 0 40 GCAB COc1cccc(CCNC(=O)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1 9623380 DTVMSJQNHYRFFY-UHFFFAOYSA-N 380.404 0.907 0 40 GCAB biogenic O=C(CN1CCSC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12863722 JUYUSBRBSWJIPC-UHFFFAOYSA-N 387.458 0.827 0 40 GCAB CC1CCN(c2nc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 19497052 DAMDQJBOKLSJLY-CYBMUJFWSA-N 382.486 0.447 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)CCS(=O)(=O)CC(C)C)c(=O)[nH]c1=O 32935246 FMELZCYHNJJVLD-UHFFFAOYSA-N 388.490 0.343 0 40 GCAB CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 35877349 VFHZKZMFBISMLQ-UHFFFAOYSA-N 382.511 0.846 0 40 GCAB COc1ccc(OC)c(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 40086683 MHXVUWQUPKBCGU-KBPBESRZSA-N 396.465 0.356 0 40 GCAB O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)c1c[nH]c2ccccc12 48363404 GGXDMUKNRQVLCH-UHFFFAOYSA-N 392.481 0.545 0 40 GCAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(C)c(=O)c3sccc32)C1 57426460 AUSYSDPJPQAZNF-NSHDSACASA-N 379.438 0.563 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(N2CCNC2=O)cc1 58412492 VVRBGACAINLBIF-HNNXBMFYSA-N 380.470 0.760 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2ccccc2)N(C)S(=O)(=O)N1 72335169 WDIPPJXISUZUJZ-HZPDHXFCSA-N 377.470 0.625 0 40 GCAB COc1cccc(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 95998323 PKXWEAPTVWXNHL-KRWDZBQOSA-N 398.467 0.777 0 40 GCAB O=C(Cn1ncccc1=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96371009 GEFPIQYFQVXDOZ-AWEZNQCLSA-N 381.841 0.972 0 40 GCAB COc1ccc(CCNc2c(N3CCN(C(C)=O)CC3)c(=O)c2=O)cc1OC 101703151 PRDSMRGOXDOUNH-UHFFFAOYSA-N 387.436 0.623 0 40 GCAB CCOC(=O)[C@@H]1SC(SCC(=O)N[C@H](C(=O)OC)[C@H](C)CC)=NC1=O 103008021 PDBMCOYVXIEXOH-DVVUODLYSA-N 390.483 0.985 0 40 GCAB Cn1cc(CN2C[C@H]3OC[C@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)cn1 248107351 GHRMYSXFMQDGEP-CGTJXYLNSA-N 376.482 0.845 0 40 GCAB Cc1nc(C)c(CC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCC[C@H]43)CC2)c(O)n1 257207214 BGVATHRBBOILCI-OWQGQXMQSA-N 389.456 0.624 0 40 GCAB CN(C)S(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 306132221 LCBIMAAHMQZLOH-STQMWFEESA-N 390.469 0.441 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1 575605444 ANDSDTVMGOXMFG-UHFFFAOYSA-N 384.437 0.630 0 40 GCAB O=C(NCCn1cnc(C2CC2)cc1=O)c1cnc(O)n(-c2ccccc2)c1=O 575607478 MCOBQHLKOUTXOU-UHFFFAOYSA-N 393.403 0.802 0 40 GCAB Cc1cc(F)cc(CN2[C@@H]3CN(S(C)(=O)=O)C[C@@H]3OCCS2(=O)=O)c1 1534645962 ZRZMEDTVUQMWPF-CABCVRRESA-N 392.474 0.309 0 40 GCAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nc1 1889201426 BWCBAETZXDGLKP-INIZCTEOSA-N 395.529 0.884 0 40 GCAB COc1ccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 784224 UJVLKUHHKZHNNQ-LBPRGKRZSA-N 383.470 0.574 0 40 GCAB Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12 1667552 RQVVDWMOCSOAJS-UHFFFAOYSA-N 383.381 0.162 0 40 GCAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250750 NGHSXENMFUKFKG-HNNXBMFYSA-N 381.454 0.850 0 40 GCAB Cc1ccc(NC(=O)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 6552593 HSMOLQIKPIAKIN-UHFFFAOYSA-N 384.396 0.399 0 40 GCAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)N2CC(=O)Nc3ccccc32)c1=O 10911125 HWNNPVVMJFWAOZ-UHFFFAOYSA-N 394.309 0.951 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 18077696 OOVPLFMYJIXTSM-GJZGRUSLSA-N 398.423 0.598 0 40 GCAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)c1 20219952 AVFMYKAWOMXAHO-UHFFFAOYSA-N 395.437 0.426 0 40 GCAB CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCCC2)cc1 20465698 RBBZZFBMKBQXRH-YDZRNGNQSA-N 377.485 0.458 0 40 GCAB biogenic,in-vitro COc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)c(F)c1 67350203 IUFKOFKXZISRBQ-UHFFFAOYSA-N 392.362 0.857 0 40 GCAB CCOC(=O)CN1CCC2(CC1)O[C@H](C(=O)NCC1CC1)Cn1ccnc12 96080140 BJSFAORAFNXRQY-HNNXBMFYSA-N 376.457 0.662 0 40 GCAB CNC(=O)[C@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@@]1(C)O3 100466368 XDZKHRZZZUCGTG-ZDWMXJANSA-N 387.480 0.884 0 40 GCAB CNC(=O)/C=C/CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 669777296 JFXQATCGRVTFEW-YFCVBGDOSA-N 379.482 0.814 0 40 GCAB Cn1c(=O)c2c(nc(Sc3nncn3Cc3ccccc3)n2C)n(C)c1=O 1026981 PWXYPRMRXNDBMC-UHFFFAOYSA-N 383.437 0.762 0 40 GCAB Cc1nn(C)cc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806629 TYYPTJNWNOOQKK-CYBMUJFWSA-N 380.474 0.179 0 40 GCAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 4994467 HUBNAZBHTDOFGE-LSDHHAIUSA-N 393.440 0.861 0 40 GCAB CCn1c(=O)n(CC(=O)NCCN)c(=O)c2c3c(sc21)COC(C)(C)C3 6760124 LYBYJOIRSXSUTD-UHFFFAOYSA-N 380.470 0.171 0 40 GCAB O=C(CNC(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1cccs1 8777750 MHAOFVHHHLSYAF-UHFFFAOYSA-N 399.469 0.641 0 40 GCAB O=C(NCc1ccco1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1 9600527 CPBQUQZQTACRBL-GFCCVEGCSA-N 399.450 0.121 0 40 GCAB Cn1cccc1C(=O)NCCNC(=O)COCc1nc2ccccc2c(=O)[nH]1 12996740 XSEPAOYCPRMGJH-UHFFFAOYSA-N 383.408 0.324 0 40 GCAB Cc1c(CCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc(O)ccc12 13624650 GXIXUONVCDBJJS-UONOGXRCSA-N 381.406 0.014 0 40 GCAB CCc1c(C)nc([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c1=O 19521565 ZVZLVIPSJSGYCX-OAHLLOKOSA-N 396.513 0.976 0 40 GCAB CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 19657170 AKWARCLYEIBACF-KRWDZBQOSA-N 388.468 0.696 0 40 GCAB Nc1nc2c(cc1C(=O)N1CCCC1)CN(C(=O)COC[C@@H]1CCCO1)CC2 19701142 ZOOFYETVERBOEZ-HNNXBMFYSA-N 388.468 0.980 0 40 GCAB COc1ccccc1CCNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 19747385 SFJJMCQFTRYUDJ-SFHVURJKSA-N 399.447 0.594 0 40 GCAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)NC(C)(C)C 25390489 VNKKENCHCYZTGO-UHFFFAOYSA-N 382.413 0.558 0 40 GCAB O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1 48314041 SCLGZMNAGXDMPU-LBPRGKRZSA-N 398.872 1.000 0 40 GCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318327 GIJAQJWODYCVLP-KRWDZBQOSA-N 386.452 0.973 0 40 GCAB NC(=O)Cc1ccccc1NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 58291053 QJYHWVUMMNIIEY-UHFFFAOYSA-N 378.388 0.924 0 40 GCAB CNC(=O)COC1CN(C(=O)[C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)C1 79014461 YKYKTVMVQQYGLP-PPGNKHEKSA-N 375.425 0.187 0 40 GCAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@H](C)N[C@H](C)C3)n2N)C[C@H](C)N1 225149968 SPZVINZIPQHRFR-XLAORIBOSA-N 392.596 0.222 0 40 GCAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)COCC(=O)O)C3)c2n1 257329855 XLTZPOWITKPRAO-IBGZPJMESA-N 388.424 0.439 0 40 GCAB Cn1cc(CNS(=O)(=O)C[C@@H]2CN(C(=O)c3cccs3)CCO2)cn1 521396998 FOZWCJYGBWRZDI-ZDUSSCGKSA-N 384.483 0.442 0 40 GCAB Cc1cc(=NC(=O)CN2CCN(C(=O)[C@@]3(C(=O)O)CC=CCC3)CC2)[nH]o1 653309119 WVYWGDYEVXLDKN-GOSISDBHSA-N 376.413 0.299 0 40 GCAB CCN(Cc1ccccc1NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)C(C)=O 665533780 WLQFAXBVNKJOGU-JKSUJKDBSA-N 383.470 0.989 0 40 GCAB Cc1ncc(S(=O)(=O)N2C[C@@H](C(=O)NC3CC3)[C@H](c3cn(C)cn3)C2)s1 1614996070 YBUOPYPTVNTVOZ-CHWSQXEVSA-N 395.510 0.868 0 40 GCAB CN(CC(=O)N1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1)S(C)(=O)=O 1615284564 CYDOXOMRPMQKKH-DYVFJYSZSA-N 382.486 0.794 0 40 GCAB OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O 642953 NLRXQZJJCPRATR-XFIYOXNOSA-N 385.210 0.781 0 40 GCAB COc1ccc(CCn2c(=O)c3cccnc3n(CC(N)=O)c2=O)cc1OC 6805150 CRFOBSBSOUVKJQ-UHFFFAOYSA-N 384.392 0.303 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C(F)(F)F)cc1)c(=O)n2C 12551784 URQVSRPUDMOGNI-UHFFFAOYSA-N 395.341 0.769 0 40 GCAB COc1ccc(OCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 12911503 OLHONHGLJSNJDE-UHFFFAOYSA-N 377.422 0.688 0 40 GCAB NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 12914677 MKJROYWPJAIONR-UHFFFAOYSA-N 386.389 0.777 0 40 GCAB O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCS(=O)(=O)C1 15372387 UHSNKZNXQCKLNF-GFCCVEGCSA-N 389.271 0.872 0 40 GCAB CC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C 31847682 FEEGJHDJTLSNJB-UHFFFAOYSA-N 388.465 0.658 0 40 GCAB O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NC[C@H]1CCCO1 35375576 WYSVTKAGKGLBMS-GOSISDBHSA-N 397.479 0.865 0 40 GCAB Cc1ccc2ncn(CC(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)c(=O)c2c1 40116984 FRLAYQWXACYTCF-KRWDZBQOSA-N 378.388 0.984 0 40 GCAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)cn2)n1 46310639 BYACASIYCGPFFD-HNNXBMFYSA-N 377.470 0.924 0 40 GCAB O=S(=O)(c1cccnc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 96000499 KPYVUAGQNURCPL-UHFFFAOYSA-N 379.463 0.847 0 40 GCAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCc3c(nc[nH]c3=O)C2)cc1 96012533 VADGHPPHXGDMHI-UHFFFAOYSA-N 390.465 0.999 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 100171970 WJVSUUOYTGGIPB-ROYATCLZSA-N 385.372 0.948 0 40 GCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccncc4)C3)C2=O)o1 225398229 VQTZBPQYCNTXGR-AEFFLSMTSA-N 396.447 0.542 0 40 GCAB biogenic,in-vitro COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 534828340 PXESXJHZRSWBCN-ROUUACIJSA-N 397.435 0.839 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)CC1 575611667 FQDABJYSTKJLKN-ZDUSSCGKSA-N 388.877 0.781 0 40 GCAB O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCN(CC(F)(F)CO)CC1 636138052 VMSAEPQVJTYUGZ-UHFFFAOYSA-N 386.790 0.701 0 40 GCAB Cc1snnc1C(=O)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 1565542073 JHESGLUEDMECQC-LBPRGKRZSA-N 376.442 0.687 0 40 GCAB CC(C)N(C(=O)CSc1nnc(CCC(=O)O)c(=O)n1N)c1ccccc1 5256960 JUEBUEXNXNIKFR-UHFFFAOYSA-N 391.453 0.903 0 40 GCAB O=C(O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 8843952 JNRVASCFZBXIQL-UHFFFAOYSA-N 385.423 0.934 0 40 GCAB CN1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 22829584 CDWHCCIFWGPVDT-UHFFFAOYSA-N 386.493 0.345 0 40 GCAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCCN(S(C)(=O)=O)CC2)c1 24924310 PDCHDUDZZZRJAL-CQSZACIVSA-N 399.513 0.848 0 40 GCAB Cc1cc2ccccc2n1CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 25191226 UHIFIPPUQVPEPT-UHFFFAOYSA-N 395.419 0.940 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598180 CGEOOCFVRZKEDL-UHFFFAOYSA-N 389.441 0.778 0 40 GCAB CCN1CCN(S(=O)(=O)c2c3c(c(OC)c4c2OCO4)CN(C)CC3)CC1 40312509 OYDRYJMXYOQTRG-UHFFFAOYSA-N 397.497 0.738 0 40 GCAB biogenic Cc1noc(C)c1S(=O)(=O)N1CCCN(C[C@H](O)Cn2cccn2)CC1 51501577 IBJKDAXCOYRPQV-HNNXBMFYSA-N 383.474 0.245 0 40 GCAB C[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccco2)ccc1=O 70655590 OWUKXONOQPISFH-GFCCVEGCSA-N 380.426 0.168 0 40 GCAB CN(CC(=O)N1CC[C@H](O)C1)S(=O)(=O)c1ccc(Br)cc1 83857484 GZUJUQRRDJSCDO-NSHDSACASA-N 377.260 0.663 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@@]2(CNC(=O)C2)C1 96143303 KFJDIDCTZAIYNM-MRXNPFEDSA-N 385.873 0.564 0 40 GCAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(N2CCOCC2)nc1 102673336 WBICEMNIRUXJAL-DSIZOQBWSA-N 382.420 0.664 0 40 GCAB CN(C)S(=O)(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 225564958 ZRTGQSROXSJTND-UHFFFAOYSA-N 383.396 0.688 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)COc3ccccc3F)CC2)c1 238945250 WJIBGRZCCUHYRA-UHFFFAOYSA-N 396.444 0.861 0 40 GCAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCN(c2nccn3cnnc23)C1 575414563 KPNPUKHAJKGTSW-GFCCVEGCSA-N 379.380 0.427 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(CC)cc1 575420753 KGUMGWILDTYOFA-KBPBESRZSA-N 390.483 0.439 0 40 GCAB Cc1ncn(CC(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)c(=O)c1C 575606357 HRNAJRWSRZHFHF-UHFFFAOYSA-N 386.460 0.028 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)NCc3nc(C4CCOCC4)no3)cc21 575615779 GEMWXNWXXKYKCQ-UHFFFAOYSA-N 394.409 0.887 0 40 GCAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)CC1 663253983 SWXDUKSDWJBWTP-OAHLLOKOSA-N 375.491 0.895 0 40 GCAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(S(=O)(=O)N(C)C)C2)C1 1251064537 RBNJYMRMVBWGOG-KRWDZBQOSA-N 395.485 0.457 0 40 GCAB COc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)cc1 1549161304 GNXOFBNJWBGQSP-INIZCTEOSA-N 385.420 0.963 0 40 GCAB Cc1snnc1C(=O)N1CCC2(CC1)Cc1nn(C(C)C)c(=O)c(=O)n1C2 1565542018 BKOOEFKBMACYPR-UHFFFAOYSA-N 390.469 0.625 0 40 GCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3csc(C)n3)CC2)O1 2055794344 MMQYUTKEDDWXCH-ZDUSSCGKSA-N 375.454 0.924 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)CSc2ccc(Cl)cc2)c(=O)n(C)c1=O 2664108 XQJZVVJVOTXOEJ-UHFFFAOYSA-N 397.840 0.838 0 40 GCAB CCOC(=O)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4370689 SYMRHQKMKBSBHV-UHFFFAOYSA-N 381.392 0.917 0 40 GCAB COCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 4519016 GXXMIMRZBNLLIK-INIZCTEOSA-N 394.449 0.982 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1 5044078 BFCSYZIKYPOOCW-LBPRGKRZSA-N 383.857 0.647 0 40 GCAB O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 5496573 XFJOBTJBGUCADD-GIRQSZDMSA-N 391.468 0.483 0 40 GCAB COCCNC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 6759912 YIOKCXVCTUYLJC-UHFFFAOYSA-N 381.454 0.376 0 40 GCAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 7986677 YZBGOXXNIKNQTJ-ZIAGYGMSSA-N 394.449 0.194 0 40 GCAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCCC1 8560454 GRCXWBYCGMLPJJ-UHFFFAOYSA-N 397.497 0.542 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CNc2nc(Cl)nc3[nH]cnc23)cc1 9481760 WZJXLIAMFVNFRG-UHFFFAOYSA-N 395.832 0.382 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCCCC1 9575635 IXGNFQUVEXAUDK-LLVKDONJSA-N 392.524 0.840 0 40 GCAB CCOC(=O)Cc1nc(Oc2ccc(OCC)nn2)nc(N2CCOCC2)n1 26895540 BXHWGDQKEWSDGU-UHFFFAOYSA-N 390.400 0.795 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c1 34868192 DCLLTRDQYIXCGK-OAHLLOKOSA-N 394.497 0.550 0 40 GCAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1cccc(-n2cnnn2)c1 38488124 DGDYAZPXKQQCJR-UHFFFAOYSA-N 388.391 0.711 0 40 GCAB Cc1cccc(Cn2cccc(C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2=O)c1 84210731 HERQXEPGFOYTPZ-HNNXBMFYSA-N 375.450 0.708 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)Cn3cccn3)CC2)CC1 257293552 QQAPFTRMEGDTTI-LJQANCHMSA-N 377.489 0.227 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 260905630 RFUYZJVCQGFMEU-KBPBESRZSA-N 383.470 0.461 0 40 GCAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@H](C)N(S(C)(=O)=O)CC3)cn1 306142713 XGZUMANPSFDSOO-LBPRGKRZSA-N 378.458 0.177 0 40 GCAB C[C@@H](C(=O)N1CCN(c2ccc3nncn3n2)CC1)n1nc(C2CC2)ccc1=O 575621193 WFPHWZCORLUHQI-ZDUSSCGKSA-N 394.439 0.468 0 40 GCAB CNS(=O)(=O)N1CCN(C(=O)C[C@@H](c2ccccc2)c2ncc[nH]2)CC1 578317263 OCNKMDUWCMQUAS-HNNXBMFYSA-N 377.470 0.540 0 40 GCAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095238 LZEKBOANVDYYAZ-INIZCTEOSA-N 384.502 0.913 0 40 GCAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 644443297 WUKXCICOHNFDTK-OAHLLOKOSA-N 391.394 0.954 0 40 GCAB Cc1cccc(S(=O)(=O)N2CCN(Cc3c(C(=O)O)cnn3C)CC2)c1 1616033014 YXPMQBPLZHROGJ-UHFFFAOYSA-N 378.454 0.933 0 40 GCAB O=C(NCc1nc(C(F)(F)F)n[nH]1)N[C@H]1CCN(c2ccc3nncn3n2)C1 1634559851 SBNIRFXTFMHKSM-QMMMGPOBSA-N 396.337 0.339 0 40 GCAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)O)ccc12 2140440 LVQAGLKXWGXUOK-UHFFFAOYSA-N 390.392 0.831 0 40 GCAB biogenic COc1cccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC 4495867 RNHXGEMWDQYPIQ-LBPRGKRZSA-N 385.376 0.470 0 40 GCAB CC(C)Cc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 5056497 UHDMVAGZMOSTER-UHFFFAOYSA-N 391.497 0.940 0 40 GCAB O=C(C[C@@H]1O[C@H](CNC(=O)c2cccs2)[C@@H](O)[C@H]1O)NCc1ccccc1 8643303 DRPUJQZNKQPVFJ-IHETXDGRSA-N 390.461 0.674 0 40 GCAB biogenic,in-vitro CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CCCNC(N)=O)ccc21 8981735 NXXTTZLIZIOSSI-UHFFFAOYSA-N 397.453 0.573 0 40 GCAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)COc1ccc(F)cc1)CC2 16850461 RNXUDSJCMLHCQG-UHFFFAOYSA-N 389.383 0.647 0 40 GCAB COC(=O)c1cc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)cc(C(=O)OC)c1 20745982 VIGFKRKTPDCQFM-LBPRGKRZSA-N 387.352 0.682 0 40 GCAB CCCCc1nc(SCCN2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1 22627673 ZHSUEWVMWUGOLP-UHFFFAOYSA-N 393.513 0.794 0 40 GCAB CN1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)N2C)CC1 22923491 XQVDPIKSXKMCFD-SCTDSRPQSA-N 393.576 0.460 0 40 GCAB biogenic,in-vitro COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 25029013 KPLGDIKOKLTQIN-HUUCEWRRSA-N 389.408 0.308 0 40 GCAB COc1ccccc1S(=O)(=O)NCCn1nc(-c2ccccn2)n(C)c1=O 38532776 SRPVORPCGYYGPU-UHFFFAOYSA-N 389.437 0.631 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 40081133 WQYSWLHOMFTBHN-GASCZTMLSA-N 399.488 0.866 0 40 GCAB Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)no1 56997971 HIOVYEDFFVMOQG-UHFFFAOYSA-N 375.404 0.999 0 40 GCAB CCS(=O)(=O)c1ccccc1C(=O)NCCCN(C)S(=O)(=O)CC 59118095 WUVQMNJOVOJIRB-UHFFFAOYSA-N 376.500 0.882 0 40 GCAB O=C(c1ccc2c(c1)OCO2)N1CC(C(=O)N2CCN(c3ncccn3)CC2)C1 70816625 PCJUOTHEWKCVNG-UHFFFAOYSA-N 395.419 0.626 0 40 GCAB CN(CCCC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 219719668 ZKWIMHBEEXIRCJ-UHFFFAOYSA-N 383.514 0.926 0 40 GCAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 226746817 WPBQNLINXQHVHF-ZIAGYGMSSA-N 384.440 0.947 0 40 GCAB COCCOc1cc(C(=O)N2CCN([C@H](C)C(=O)NC(C)C)CC2)ccn1 253471945 GRWPVCUMQIOELS-OAHLLOKOSA-N 378.473 0.778 0 40 GCAB CN(C)C(=O)[C@@H]1COC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)CN1C 575406342 WYRSYJPBQDFDJN-KRWDZBQOSA-N 387.480 0.554 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C)cc1C 575422376 BMSGCPKUIAWKLL-QWHCGFSZSA-N 390.483 0.493 0 40 GCAB Cn1c(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)cc(=O)n(C)c1=O 2037913007 KJZKMWWUKZUCQM-IBGZPJMESA-N 391.399 0.269 0 40 GCAB COC1(CC(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)CCC1 2055812446 ZHDQAOWJMFAADI-GOSISDBHSA-N 375.473 0.629 0 40 GCAB CCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 3027742 WNDAAJQHCGXOOY-NSHDSACASA-N 375.472 0.128 0 40 GCAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCO)c2cccs2)cc1 4519524 XDQUZTVRLPCBNG-OAHLLOKOSA-N 396.490 0.796 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)NC(=O)N[C@H]1C 6886637 ZHZZSPRGEDCAEZ-NSTVUXKKSA-N 397.453 0.502 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 10911972 GBUKVWHTPMXZDK-UHFFFAOYSA-N 391.515 0.588 0 40 GCAB O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CC1 11507542 RTELGRPZAJMXKD-FPYGCLRLSA-N 394.449 0.543 0 40 GCAB CCn1cc([C@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 12130490 OFQIRTYVDSPHRS-HUUCEWRRSA-N 381.458 0.700 0 40 GCAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccccc1N1CCOCC1 12553360 OYIMTQINOUERPO-IBGZPJMESA-N 395.525 0.648 0 40 GCAB C[C@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)N1CCOCC1 14167693 HTXMOJXONRLZGQ-NSHDSACASA-N 376.456 0.207 0 40 GCAB CCCn1c(N)c(C(=O)CN2CCN(c3ccccc3C)CC2)c(=O)[nH]c1=O 25411816 YRFNTFODJKXSIF-UHFFFAOYSA-N 385.468 0.842 0 40 GCAB COc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O 26456033 PPFDEDBPPHUUQH-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB CCN(CC)CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 36355033 ASHNBBDZECEYAG-UHFFFAOYSA-N 382.486 0.623 0 40 GCAB CN1CCN(CCCNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 73445747 ORCDTLSNBSGZIV-KRWDZBQOSA-N 376.526 0.955 0 40 GCAB C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc2nc(N(C)C)oc2c1 95461295 LUNGZYOGIPANAC-GFCCVEGCSA-N 375.429 0.669 0 40 GCAB CC(C)c1cc(C(=O)N2CCOC[C@](O)(CNC(=O)c3ccccn3)C2)[nH]n1 257282835 OVMPCRWKNIZSRI-IBGZPJMESA-N 387.440 0.562 0 40 GCAB C[C@H](C(=O)NCCn1nc(-n2ccnc2)ccc1=O)n1nc(C2CC2)ccc1=O 575620279 PFCGTUZFDUCLGZ-CYBMUJFWSA-N 395.423 0.241 0 40 GCAB CN(C)S(=O)(=O)N1CC(NC(=O)NCC2CCN(c3ccncc3)CC2)C1 637010087 VVYQMPDVHAXPDS-UHFFFAOYSA-N 396.517 0.088 0 40 GCAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NS(=O)(=O)C2CC2)C1 2332241717 XFAPRNWBDWQPPI-NILFDRSVSA-N 377.470 0.956 0 40 GCAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCC(C(N)=O)CC2)cc1 5060813 OFGJCPGDAFWLEO-UHFFFAOYSA-N 397.497 0.820 0 40 GCAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(S(N)(=O)=O)cc1 6085387 IRUZHGMGJQNAFD-LLVKDONJSA-N 387.417 0.807 0 40 GCAB CCN(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 6611887 MVSWUSKKSGYTRF-DYLGSBMWSA-N 397.449 0.993 0 40 GCAB C[C@@]1(NC(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)CCS(=O)(=O)C1 7813982 IUBARIDXNSQCKZ-OAHLLOKOSA-N 389.813 0.919 0 40 GCAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1=NCCS1 12568727 SBFZXYFBWAZSJB-AWEZNQCLSA-N 399.494 0.980 0 40 GCAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C(=O)c2ccccc2)CC1 14320666 VUZNMYCJLWSBTQ-CYBMUJFWSA-N 398.463 0.832 0 40 GCAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1 20046365 XPSQFEROUPGWRZ-UHFFFAOYSA-N 383.514 0.844 0 40 GCAB CCS(=O)(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C[C@H]1C 20449286 RNPLBKHGFNGKIG-CQSZACIVSA-N 381.498 0.849 0 40 GCAB COC(=O)c1ccc2c(c1)S(=O)(=O)N=C(NCCCN1CCOCC1)S2 25315079 GNPLLBHJWDDDKN-UHFFFAOYSA-N 399.494 0.936 0 40 GCAB CCN(CCCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1)S(C)(=O)=O 58010578 RHKUXCGEKQXWKT-AWEZNQCLSA-N 397.497 0.836 0 40 GCAB CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cc(-c3ccncc3)nn2C)C1=O 84597432 PYVPHMAPZAQLKO-ZDUSSCGKSA-N 384.396 0.073 0 40 GCAB CCc1ccc(S(=O)(=O)NCCn2nc(-n3cncn3)ccc2=O)s1 96025220 AGZOLBJTGUCECQ-UHFFFAOYSA-N 380.455 0.426 0 40 GCAB Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2ccoc2)CCC3)cn1 96059654 KMDVIZZHWVJCCU-UHFFFAOYSA-N 382.424 0.906 0 40 GCAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1cccc(C)c1)S(C)(=O)=O 220513347 SEXMSNBBZAGDDP-QGZVFWFLSA-N 383.514 0.988 0 40 GCAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953237 VTCCJXRXUHWVLG-SJCJKPOMSA-N 382.438 0.991 0 40 GCAB Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1 257204133 ATDOTDCCXJGBHZ-QGZVFWFLSA-N 393.469 0.045 0 40 GCAB NC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257226718 FLVPJWNAPFWENI-ZRNYENFQSA-N 397.479 0.821 0 40 GCAB O=S1(=O)C[C@H]2N[C@H]3CS(=O)(=O)C[C@H]3N(Cc3cccc(Cl)c3)[C@@H]2C1 575423129 OKKXYBLYIOKFOT-LXTVHRRPSA-N 390.914 0.076 0 40 GCAB Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C[S@](C)=O)c1ccccc1 597300412 JALFPAYKGPCJRP-CANCMXDXSA-N 397.478 0.091 0 40 GCAB CCOC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 604536456 POGWMDPVFYZRGI-CYBMUJFWSA-N 390.483 0.566 0 40 GCAB N=c1nn[nH]n1-c1cccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1 1597170210 GQYJMVYDYNGPDW-HNNXBMFYSA-N 381.396 0.589 0 40 GCAB CCS(=O)(=O)CCN1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055746116 MNAURNXGWZPYLD-UHFFFAOYSA-N 397.545 0.146 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3cc(N4CCCC4)ncn3)CC2)C[C@H](C)O1 2086889134 DNTIDROXPIKHFN-IRXDYDNUSA-N 388.516 0.835 0 40 GCAB COC(=O)c1ccc2c(=O)n(C[C@H](C)O)c(S[C@@H]3CCOC3=O)nc2c1 6003368 QIMXIQWEOWLYRH-TVQRCGJNSA-N 378.406 0.972 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1 6553474 DXWWUXXSMXAADB-UHFFFAOYSA-N 386.433 0.403 0 40 GCAB COc1ccc(N2CCn3c2nn(CC(=O)NCc2ccco2)c(=O)c3=O)cc1 8849217 CDSKSBQIBYKGMC-UHFFFAOYSA-N 397.391 0.475 0 40 GCAB Cn1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 9468830 MBKNSVAKBBFAKO-UHFFFAOYSA-N 386.455 0.242 0 40 GCAB CNC(=S)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 9489207 WHAXDNICLIVDQN-OAHLLOKOSA-N 375.498 0.030 0 40 GCAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)cc1 12422913 GWDMEAOJKSPZGT-GFCCVEGCSA-N 387.421 0.640 0 40 GCAB COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2C 12445539 HEROTWWEOUWGCX-UHFFFAOYSA-N 382.376 0.829 0 40 GCAB CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 12528683 PVBOCESJIWIOFH-LLVKDONJSA-N 383.455 0.106 0 40 GCAB Cn1nc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O 14112814 KPINHFASQOPLCO-UHFFFAOYSA-N 379.848 0.333 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)CCNC(=O)c2ccccc2)c(=O)[nH]c1=O 14654957 FYPHPLIJDIGVNB-UHFFFAOYSA-N 387.440 0.702 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 23652652 HEKNVYFSPCMOGH-QGZVFWFLSA-N 395.525 0.987 0 40 GCAB CN(C)c1cccc(C(=O)Nc2ccc(-n3nnn(CC(N)=O)c3=O)cc2)c1 77100189 VSSZSXAKQUGHNQ-UHFFFAOYSA-N 381.396 0.233 0 40 GCAB Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)o1 95957634 RIFSRUOLSXVIRF-INIZCTEOSA-N 377.489 0.738 0 40 GCAB CCOC(=O)CCn1c(=O)c2c(nc3n(CCOC)c(C)c(C)n23)n(C)c1=O 96306405 MSMPKLPSUKPTMC-UHFFFAOYSA-N 391.428 0.366 0 40 GCAB O=C(O)CN1C(=O)N/C(=C/c2ccc(O)c(I)c2)C1=O 408591285 JKNUBVMRINTSSR-XBXARRHUSA-N 388.117 0.974 0 40 GCAB Cn1cc(CN(C(=O)Cc2cccc(F)c2F)[C@@H]2CCNC2)c(=O)n(C)c1=O 648117593 DZCMDTNQDUBZRX-CQSZACIVSA-N 392.406 0.295 0 40 GCAB O=C1NCCN(S(=O)(=O)c2cnn3c2OCCC3)[C@H]1c1ccccc1F 668184241 UHHRAFJOPZAVMY-AWEZNQCLSA-N 380.401 0.667 0 40 GCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)CN(C)C(C)C)C2 1565545879 NHEUYRFFVRSFJX-CQSZACIVSA-N 379.505 0.704 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1 1775965609 GJFPKFQRPRJZJN-UHFFFAOYSA-N 394.384 0.440 0 40 GCAB Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccco1 8850968 QGJOARKQPQJIOY-UHFFFAOYSA-N 376.398 0.030 0 40 GCAB Cn1ncc2c(N3CCN(Cn4nc5n(c4=O)CCCCC5)CC3)ncnc21 12848499 TWLNPSISOANWTO-UHFFFAOYSA-N 383.460 0.228 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 14208908 GSQGPXSBEZHXNL-HNNXBMFYSA-N 396.465 0.733 0 40 GCAB Cn1nccc1C(=O)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 19747346 OPMHDLHHYPYQPG-GOSISDBHSA-N 383.452 0.610 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H](C)O1 22411022 LNQLXXCYNLSBSM-HOTGVXAUSA-N 375.535 0.965 0 40 GCAB O=c1c2cnc3ncnn3c2ccn1N1CN(Cc2ccccc2)CNC1=S 22606887 GLAVKFZLMDJYOK-UHFFFAOYSA-N 392.448 0.683 0 40 GCAB CCOC(=O)N1CCC(NC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 26310887 XPPMPDYECNQCGK-UHFFFAOYSA-N 390.506 0.721 0 40 GCAB Cc1ccc(N2CCn3c2nnc(C(=O)NCCCN2CCOCC2)c3=O)cc1 35353083 WPQVSHVXMUKEPJ-UHFFFAOYSA-N 398.467 0.551 0 40 GCAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36366160 ZJHWVOXFBIUUAV-HZMBPMFUSA-N 382.442 0.458 0 40 GCAB CN1CCN(C[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)CC1 58156252 LAJLETNNRDFBQX-ACJLOTCBSA-N 382.411 0.340 0 40 GCAB CS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCCCC1)Cn1ccnc12 96144798 RCNXLKMTDDWTER-AWEZNQCLSA-N 382.486 0.545 0 40 GCAB CS(=O)(=O)N1C[C@@H]2[C@H](C1)c1nc(Nc3ccccc3)ncc1CS2(=O)=O 96252070 OXQDDDYGIWUOJJ-UONOGXRCSA-N 394.478 0.876 0 40 GCAB CC1=NN(Cc2ccccc2Cl)C(=O)[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 101901825 AUZWIKKLTFHBGY-GXTWGEPZSA-N 383.857 0.978 0 40 GCAB CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@H]1CS(=O)(=O)C[C@@H]1O 217368877 SHTDXSWXSHAZDJ-KBPBESRZSA-N 376.475 0.299 0 40 GCAB Cc1c(F)cccc1NC(=O)CN1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257254706 KEICJYZNVXMNCU-WMZOPIPTSA-N 399.488 0.933 0 40 GCAB CCO[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 529064831 BRTZSMUYHLVBIC-CJNGLKHVSA-N 384.458 0.792 0 40 GCAB Cc1noc([C@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)C[C@@H](C)O2)n1 585123324 OWMLWPKNWJVIKK-GGXZVJIVSA-N 393.444 0.676 0 40 GCAB Cc1cc(C)n(-c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)cc2)n1 643431136 XOYYNSIUCICGLB-OAHLLOKOSA-N 377.422 0.813 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nncn4n3)C2)cc1F 952986167 JAVZVLBBIAKTIC-UHFFFAOYSA-N 392.416 0.781 0 40 GCAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)c1ccc2nc[nH]c2c1 1565520652 AXWFQMOVXBSWAG-UHFFFAOYSA-N 384.425 0.510 0 40 GCAB COc1ccc(C(=O)/N=c2\sn(-c3ccc(C(N)=O)cc3)nc2C(N)=O)cc1 3764564 ZIEIWXXMFWBJHT-UZYVYHOESA-N 397.416 0.881 0 40 GCAB COc1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)cc1S(=O)(=O)NC1CC1 6537195 JVGXJAQYLDADQG-SNVBAGLBSA-N 382.438 0.960 0 40 GCAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(S(N)(=O)=O)cc1 9834121 ITRNQDLIEIUAOE-BTDLBPIBSA-N 394.453 0.232 0 40 GCAB CNC(=O)C1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 12334153 QJGYDMAEVXRKKX-UHFFFAOYSA-N 388.512 0.593 0 40 GCAB Cc1cc(=O)oc2cc(O[C@]3(C)O[C@H](CO)[C@](C)(O)[C@@](C)(O)[C@@]3(C)O)ccc12 12358924 VERJTZMTVXTWPT-HKUYMTLNSA-N 394.420 0.841 0 40 GCAB COC(=O)CCCNC(=O)NCC1=N[C@H]2[C@H](C=NN2c2ccccc2)C(=O)N1 13685438 MHNFIZKAJNOFQM-XJKSGUPXSA-N 386.412 0.215 0 40 GCAB O=C1CCCN1CC(=O)N1CCC[C@H]([C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 72342568 AQZAXVNKFZXTFE-SCLBCKFNSA-N 392.481 0.578 0 40 GCAB O=c1ccc(-c2ccco2)nn1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 72402570 RTYLEHRNYXJGHW-CQSZACIVSA-N 378.454 0.266 0 40 GCAB COC(=O)c1sccc1NC(=O)C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 95461386 VOEKSCIWKLLEMO-LBPRGKRZSA-N 379.442 0.626 0 40 GCAB Cc1cc(O)nc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)n1 96123978 HCDGYNHWHHNJBA-UHFFFAOYSA-N 381.400 0.716 0 40 GCAB CCN1C[C@@]23CN(C(=O)COc4ccc(C)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146047 CWKDZPFKCRZRGA-RYRKJORJSA-N 380.466 0.778 0 40 GCAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 224997010 FQRZHRYBIZSORC-UHFFFAOYSA-N 396.513 0.980 0 40 GCAB COc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O 575426764 ZKXLDDMHQNVAHX-HNNXBMFYSA-N 390.483 0.851 0 40 GCAB CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 585290477 DRYAABLMKKZKAI-QDCDUMNASA-N 381.517 0.338 0 40 GCAB O=C(NCc1ccco1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 4328834 CNFOAGDINNTNJT-OAHLLOKOSA-N 393.421 0.059 0 40 GCAB O=C(NCCOCCO)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941707 VHPACAQWSCNMHG-UHFFFAOYSA-N 394.428 0.822 0 40 GCAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1-n1cnnn1 5000493 YJECRINUJGJUGE-QFBVAWSSSA-N 396.407 0.641 0 40 GCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccccc1 9477024 QLIQOAQQMKTFNY-QGZVFWFLSA-N 385.420 0.851 0 40 GCAB CCc1nnc(NC(=O)CSc2nc(=O)n(CCO)c3c2CCC3)s1 10256603 WRRQMSJKLXOGRV-UHFFFAOYSA-N 381.483 0.869 0 40 GCAB CCCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(=O)OC)n(C)c1=O 10387022 QQRIAGQMSJKTJL-LLVKDONJSA-N 376.417 0.627 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(=O)n3ccccc3n2)CC1 10996854 ZSLFNBOTZRAGRQ-UHFFFAOYSA-N 389.437 0.810 0 40 GCAB C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)O 12761738 BPPIBGNYRRHLDE-TVQRCGJNSA-N 390.845 0.688 0 40 GCAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1cnc2c(cnn2C)c1=O 12781891 DEVHWLWYRPJCTI-UHFFFAOYSA-N 393.407 0.415 0 40 GCAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(N)=O)c(Br)c1 13007943 XTTVCMROENULCB-SSDOTTSWSA-N 379.232 0.778 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17822202 JWPKQYPQPVGDHN-OKILXGFUSA-N 384.454 0.452 0 40 GCAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 19709842 ABOREIAUWGNKCH-CQSZACIVSA-N 384.506 0.830 0 40 GCAB Cc1cc(N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)n2ncnc2n1 25043604 ZATWXEAVMNZPNH-UHFFFAOYSA-N 395.470 0.002 0 40 GCAB Cc1cc(C)c(CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c(=O)[nH]1 30568342 KINYLPIGIRICPM-INIZCTEOSA-N 385.399 0.867 0 40 GCAB O=C(CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 32693465 VVUMMCZLEXTWQM-ZDUSSCGKSA-N 394.428 0.639 0 40 GCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)no1 36386368 QDBIVMWEAPWURP-UHFFFAOYSA-N 385.490 0.660 0 40 GCAB CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCCN(C)C)Cn1ccnc12 96263216 UFENRQNHECOVCN-OAHLLOKOSA-N 392.504 0.369 0 40 GCAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 101186930 KPEKLRNGYMRJSF-FZMZJTMJSA-N 379.394 0.375 0 40 GCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O 514288936 KHWMOPCIJRDEBM-LAVFITLUSA-N 384.498 0.512 0 40 GCAB biogenic,in-vitro Cn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)C3CCOCC3)C2)cn1 521396688 OUUPMTKSBVOSQU-AWEZNQCLSA-N 384.502 0.505 0 40 GCAB C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1nc2c(cc1=O)CCC2 575619791 LUYDSYAARLSNAD-GFCCVEGCSA-N 390.465 0.299 0 40 GCAB O=C(c1ccncn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055772890 RUTBFMJNJBSMSP-UHFFFAOYSA-N 382.346 0.983 0 40 GCAB CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O 4354370 MZKJRCQSMFAOCW-CHWSQXEVSA-N 384.477 0.518 0 40 GCAB O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccccc1 5083198 HHSKNLJWHGXWPK-AISVETHESA-N 390.388 0.222 0 40 GCAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 5355052 HXJWLXIBAWCOMY-CYBMUJFWSA-N 380.422 0.775 0 40 GCAB COc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(OC)c1 6542173 FRLGFIHEWHVUFS-UHFFFAOYSA-N 379.369 0.516 0 40 GCAB CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@H](C(=O)O)[C@H](C)O 9042992 LILPFLYCSVCBQC-LKTVYLICSA-N 392.412 0.779 0 40 GCAB biogenic CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12321833 XUTPBYHDYBYQTP-UHFFFAOYSA-N 384.439 0.087 0 40 GCAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCCC1 13685202 RHEFNEAGKCVHST-NSHDSACASA-N 388.467 0.792 0 40 GCAB O=S(=O)(c1cccnc1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13848581 AUJOFBDRGCWVGD-UHFFFAOYSA-N 385.453 0.908 0 40 GCAB CC(C)CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228093 HCMVACLACREJKF-UHFFFAOYSA-N 383.470 0.096 0 40 GCAB C/C(N[C@H](Cc1cnc[nH]1)C(=O)O)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 25183200 GZZVJYCLCVAPCV-XDPMZMSMSA-N 397.391 0.860 0 40 GCAB COCCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)OC)CC2)cc1 48275879 YUUDOHGXAVFULM-UHFFFAOYSA-N 386.470 0.581 0 40 GCAB CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 62725335 FRTSLPFLUVGQPA-OMZCGLGVSA-N 389.404 0.733 0 40 GCAB CCCc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 78869623 FDFRIVCZRFIPEJ-UHFFFAOYSA-N 375.516 0.234 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 84582058 ZGPCVNCWFYLFPF-LJQANCHMSA-N 385.420 0.120 0 40 GCAB O=C([C@@H](c1ccccc1)n1cnnn1)N1CCn2c(nnc2C(F)(F)F)C1 95479904 GTUGCVAOBDTUDA-GFCCVEGCSA-N 378.318 0.915 0 40 GCAB CC[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O 98213198 ZILIEOKGEJLBPW-GFCCVEGCSA-N 375.404 0.755 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225633215 GAVTYDWKFRKFBV-UHFFFAOYSA-N 380.430 0.251 0 40 GCAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN3S(=O)(=O)N(C)C)nc21 257210926 BWTALWPZDMQORU-KRWDZBQOSA-N 397.501 0.438 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)nc2C)CCN1CCc1ccccc1 257249508 JIRSLUJOFQIVPQ-GOSISDBHSA-N 384.484 0.396 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1 524734686 CMIDBDRCBLCLRX-UHFFFAOYSA-N 391.449 0.671 0 40 GCAB CC1(C)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC[S@]1=O 566053743 UHSBSVLBYPYLLF-XMMPIXPASA-N 387.527 0.908 0 40 GCAB O=C(NCCn1nc2c(cc1=O)CCC2)c1cnc(O)n(Cc2ccco2)c1=O 585150092 AHQJZCFAUFRYHR-UHFFFAOYSA-N 397.391 0.066 0 40 GCAB COc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1OCCO 684878010 AXSLZESNQWWIOV-MRXNPFEDSA-N 391.468 0.621 0 40 GCAB COc1ccc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cn1 1888909547 VGDLUSLCDHEFQN-OKILXGFUSA-N 379.424 0.975 0 40 GCAB Cn1cc(N2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)c(=O)n(C)c1=O 1889141248 GFFDHEUZVKVECZ-UHFFFAOYSA-N 396.444 0.170 0 40 GCAB COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1 9645993 UJFUAUGYHROCFU-UHFFFAOYSA-N 395.481 0.878 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 12131166 WVZPWIGGXDHXIR-GJZGRUSLSA-N 379.442 0.652 0 40 GCAB CN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 12931916 XTZLHGIFJIQYJZ-CQSZACIVSA-N 386.495 0.658 0 40 GCAB N[C@@H](C(=O)N1CCOCCOCCOCCOCCOCC1)c1ccccc1 39988433 JFOABEUBSGGURR-LJQANCHMSA-N 396.484 0.612 0 40 GCAB C[C@@H]1CN(S(=O)(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@@H](C)O1 40039975 KDQIGCMFSIUNDJ-VXGBXAGGSA-N 377.488 0.502 0 40 GCAB COC(=O)CNC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 40159279 JDOSSPDAIPIXIR-UHFFFAOYSA-N 387.439 0.459 0 40 GCAB COc1ccc(-n2c(O)nc3nc(N4CCC(C(N)=O)CC4)ncc3c2=O)cc1 67264217 VRZQMJVPYBHMQP-UHFFFAOYSA-N 396.407 0.592 0 40 GCAB C[C@H](C(=O)N1CCNC(=O)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327650 SDWQXDXLYUVAHD-SPLOXXLWSA-N 399.447 0.750 0 40 GCAB NS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(-n3cccc3)nn2)cc1 90607771 YFXDSUUNWUWXOH-UHFFFAOYSA-N 386.437 0.757 0 40 GCAB O=C(CCCNc1ncccn1)N1CCC[C@@](O)(CN2CCOCC2)CC1 257222792 DUSBAAYIZIUQGW-IBGZPJMESA-N 377.489 0.745 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)Cn3cccn3)CC2)CC1 257293551 QQAPFTRMEGDTTI-IBGZPJMESA-N 377.489 0.227 0 40 GCAB CC[C@H]1O[C@@H](c2ccc(F)cc2)C[C@@](O)(CNS(=O)(=O)c2cn[nH]c2)[C@@H]1O 257301166 RXGQTPIUZPEMTO-QBPKDAKJSA-N 399.444 0.859 0 40 GCAB CCN1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)CC1 257327655 XCFDTUIFCJLNHR-HKUYNNGSSA-N 388.512 0.795 0 40 GCAB NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409172115 HVZOIGFRHSXJSX-UHFFFAOYSA-N 394.280 0.996 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101054 ACGAFYACDZJQJH-QAPCUYQASA-N 392.481 0.496 0 40 GCAB C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](C)C(=O)N1 643560644 YCIDLWZKLUABJZ-GVXVVHGQSA-N 377.397 0.052 0 40 GCAB COc1cc(OC)nc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)n1 1888853477 JUYBIMZHNUSWBF-UHFFFAOYSA-N 387.444 0.447 0 40 GCAB CCN=c1cc(C)nc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)[nH]1 1889133982 FVZYESOFLKUXFL-UHFFFAOYSA-N 386.481 0.910 0 40 GCAB CCn1nccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806632 KMVQRGMDPPUXFN-ZDUSSCGKSA-N 380.474 0.354 0 40 GCAB CO[C@H]1[C@H](OC(C)=O)[C@H](n2cnc3c(=S)nc[nH]c32)O[C@@H]1COC(C)=O 4963115 WXKATFNIWVHVSU-ADGXKJENSA-N 382.398 0.896 0 40 GCAB COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(C)=O 5398287 GIEJCGRIKQZDTH-IUODEOHRSA-N 376.413 0.429 0 40 GCAB biogenic,in-vitro C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 6553457 VYOXQAYSIGXCSC-HXUWFJFHSA-N 394.435 0.592 0 40 GCAB Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@@H]1CN(c3ccccc3)CCN21 9109712 HEYOILCJVNTJGC-KRWDZBQOSA-N 391.431 0.873 0 40 GCAB C[C@@H](O)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)O 14169186 DWGSIERYPHGXHY-DOMZBBRYSA-N 384.454 0.815 0 40 GCAB Nc1nc(SCC(=O)NC[C@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccco1 18043140 TVZSPDHTNSUHEK-SECBINFHSA-N 393.425 0.585 0 40 GCAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)[C@H]4CC(=O)N(C)C4)[C@@H]32)cc1 19211630 YDJVSCJLOJJWRC-YQYZPQCESA-N 391.493 0.741 0 40 GCAB COc1cc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 20714627 ONHGHHHZSJMLFS-LBPRGKRZSA-N 376.369 0.334 0 40 GCAB Cc1noc(CN2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)n1 32932921 WEKXMYQNUFPZKM-UHFFFAOYSA-N 393.425 0.329 0 40 GCAB COCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 34873403 ANGWAFGZYRHLKB-MRXNPFEDSA-N 383.514 0.761 0 40 GCAB COCc1nnc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)s1 71280452 HENVJUSWDPQTBG-UHFFFAOYSA-N 382.471 0.433 0 40 GCAB O=S(=O)(c1cncc(Br)c1N1CCNCC1)N1CCOCC1 72210899 CLWURIDXAJNEJU-UHFFFAOYSA-N 391.291 0.275 0 40 GCAB CCS[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 96029134 YPNFVZQPWZMHIF-NPJQDHAYSA-N 392.426 0.823 0 40 GCAB Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)n1 100827123 LMHHPCYJUBLDJT-XQVDQGTBSA-N 391.225 0.881 0 40 GCAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(CN2CCOCC2)cs1 102872959 LQUIJUXWRAHYGL-ZIAGYGMSSA-N 390.465 0.865 0 40 GCAB COC(=O)[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2O1 226075864 OBOYKJHWHXWYCP-OAHLLOKOSA-N 382.438 0.625 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 247545246 UGQDWPIIPYFDAP-CYBMUJFWSA-N 378.458 0.178 0 40 GCAB COCCN1Cc2cnnn2-c2ccc(N3CCOCC3)cc2S1(=O)=O 306142213 WTMGYNFIGGBKLP-UHFFFAOYSA-N 379.442 0.255 0 40 GCAB CN1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCc4c(nnn4C)C3)ccn2)CC1 585090812 MMYQUYJYDOLMIA-ZDUSSCGKSA-N 398.471 0.277 0 40 GCAB CC(=O)N1CC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)c3c(C)cnn3C)C2)C1 1614423256 UZDMFMJCLDQSSF-WBVHZDCISA-N 387.484 0.660 0 40 GCAB COCC(=O)N[C@@H]1CN(CC(=O)NCC2CCCCC2)C[C@H]1c1nccn1C 1615555008 ZVHBFMRKULNEFO-IAGOWNOFSA-N 391.516 0.647 0 40 GCAB C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO 3977910 GFNANZIMVAIWHM-YAQGJSIVSA-N 394.439 0.621 0 40 GCAB in-vitro O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@H]1CCS(=O)(=O)C1 6758970 PBXKBYOWXBXAEC-NSHDSACASA-N 377.418 0.964 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 9508315 PILDLQIYXRRJKQ-UHFFFAOYSA-N 384.487 0.971 0 40 GCAB CN(CC(=O)N1CCN(c2cnccn2)CC1)S(=O)(=O)c1cccs1 11086779 UETIVWFEKCGGAM-UHFFFAOYSA-N 381.483 0.507 0 40 GCAB Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nn12 13846099 DEEOSXITUPLUKR-UHFFFAOYSA-N 391.409 0.561 0 40 GCAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 20460359 AGMNHXPQBQMHML-INIZCTEOSA-N 383.470 0.052 0 40 GCAB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCC2)c2cccn2C)CC1 21156710 CUBVCERUDCKMMF-GOSISDBHSA-N 375.517 0.879 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 32072039 FZVXJGSPKJOOCD-CQSZACIVSA-N 399.900 0.792 0 40 GCAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccc(-n2cnnn2)c1 32883803 GKFVFOOYCPVYGU-UHFFFAOYSA-N 386.437 0.843 0 40 GCAB O=C(CN1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1)N1CCCC1 35349148 YNLUFYVQCOGPCZ-UHFFFAOYSA-N 389.485 0.168 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2nccs2)cc1 36357566 RTSPNBGNEHDBJQ-ZDUSSCGKSA-N 394.478 0.969 0 40 GCAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 58101454 PKQZNFVEBSHQHU-OAHLLOKOSA-N 398.529 0.508 0 40 GCAB COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1C(=O)O 95349938 KWJHVOOJLNMFFA-UHFFFAOYSA-N 394.405 0.979 0 40 GCAB CC1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@H]21 96300093 OBROIGWEUCEWJH-UWVGGRQHSA-N 397.478 0.032 0 40 GCAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247540042 RZBXGYZDCJDYNT-AWEZNQCLSA-N 378.454 0.793 0 40 GCAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccn(CCN3CCOCC3)n1)C[C@@H](C)O2 560041037 HVYBALTWFQOMIW-JTDSTZFVSA-N 393.488 1.016 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 575424715 WDFKMCWERABOLR-AWEZNQCLSA-N 390.527 0.743 0 40 GCAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 649254472 NAFSBFQNSYDCAQ-JSGCOSHPSA-N 399.473 0.344 0 40 GCAB Cc1nnc2c(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nccn12 1889152060 LAUQBCBZCIVXLU-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB CN(C)S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055782039 AUGKOPNNXBLEPL-UHFFFAOYSA-N 383.396 0.159 0 40 GCAB COC(=O)CCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 1080267 UAPOACJXEFUILU-UHFFFAOYSA-N 381.392 0.917 0 40 GCAB CCOC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 2045611 WEZRRYSRLGXKCW-ZDUSSCGKSA-N 386.426 0.186 0 40 GCAB C[C@H](OC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)NC(N)=O 5981412 IOCYOFONXPNKGX-DKRRZFASSA-N 395.412 0.843 0 40 GCAB CCOC(=O)C1CCN(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)CC1 8283062 PUBBSEHEHXGGSF-UHFFFAOYSA-N 389.412 0.700 0 40 GCAB Cn1c(=O)c2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O 9356339 HVJNPTDMKCEWSA-CQSZACIVSA-N 396.451 0.493 0 40 GCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 9827358 MDEMUJLZMAYKKE-UHFFFAOYSA-N 391.453 0.811 0 40 GCAB COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219661 YTLZVURUZKZFDI-LLVKDONJSA-N 392.437 0.390 0 40 GCAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1)C(C)C 15497642 DNIIEKWQZKYZSD-GOSISDBHSA-N 376.505 0.809 0 40 GCAB C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 15848225 WDLWHQDACQUCJR-SFXXQRSZSA-N 389.433 0.707 0 40 GCAB CCc1nnc(NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)s1 15882263 MRYQELZOERTCCI-UHFFFAOYSA-N 395.470 0.115 0 40 GCAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNS(=O)(=O)c2cccs2)CC1 20465997 MYDDSIGMUZDKLG-BFJAYTPKSA-N 390.527 0.248 0 40 GCAB biogenic,in-vitro Cn1cnc2c1c(=O)n(CCCn1nnc(-c3ccc(F)cc3)n1)c(=O)n2C 31650418 YSYMTHSFNUNJTH-UHFFFAOYSA-N 384.375 0.317 0 40 GCAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCOCC2)o1 40108192 CJBBJJLDMMVLKX-ZIAGYGMSSA-N 383.470 0.657 0 40 GCAB Cc1ccccc1CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 40162132 UCGXCZWOOUFREH-HNNXBMFYSA-N 377.466 0.819 0 40 GCAB COCCn1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21 57431746 KRTBWASGZWLBSE-UHFFFAOYSA-N 394.497 0.852 0 40 GCAB Cc1ccc(N2CCN(C(=O)COc3ccc(-n4cccn4)nn3)CC2)nn1 90607725 XSIHTGBEHQREHB-UHFFFAOYSA-N 380.412 0.488 0 40 GCAB NS(=O)(=O)c1ccc(C(=O)NCCNc2cc(-n3cccc3)ncn2)cc1 90607805 BBJWCPCIZASHDV-UHFFFAOYSA-N 386.437 0.757 0 40 GCAB O=C(CSc1ccncc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124286 QPHGAHMOUDIHRH-UHFFFAOYSA-N 382.453 0.893 0 40 GCAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2 113965432 SXKHHLGUKBUSCB-UHFFFAOYSA-N 384.454 0.863 0 40 GCAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)ccnc12 257295473 QYKWBFNDDFYSLS-LBPRGKRZSA-N 380.474 0.417 0 40 GCAB Cc1nc(N2CCO[C@H](CN(C)C)C2)cc(N2CCO[C@H](CN(C)C)C2)n1 532780823 OMHOYYAEVBDJPU-IAGOWNOFSA-N 378.521 0.319 0 40 GCAB COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCn1c(=O)nc(O)c2ccccc21 535536816 JHFXNMWTPYLQDV-ZDUSSCGKSA-N 385.380 0.116 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@@]1(C)CCS(=O)(=O)C1 575421087 HSPDDKWJLWSTEA-HNNXBMFYSA-N 376.500 0.530 0 40 GCAB Cc1cccc(CS(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c1 575614863 AHRYMRGZQAXREK-UHFFFAOYSA-N 389.543 0.933 0 40 GCAB COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1775975235 DGQGOQQEXXGWJW-UHFFFAOYSA-N 380.474 0.756 0 40 GCAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(S(=O)(=O)N(C)C)C1 2055746416 ZSGDRQZXFDZHIF-MRXNPFEDSA-N 388.465 0.251 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2ccncc2)CCO3)nc1 2056225610 SZPLRQCXJMHAEI-YLJYHZDGSA-N 383.452 0.856 0 40 GCAB CCN(C(=O)COC(=O)CNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 8233452 YYOIYKASEARJPZ-HNNXBMFYSA-N 396.465 0.304 0 40 GCAB O=C(CSc1nnnn1C[C@H]1CCCO1)NCc1ccc2c(c1)OCO2 8327264 ZRNFLNCRJNEBFO-GFCCVEGCSA-N 377.426 0.989 0 40 GCAB Cc1c([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C 12131046 PFQOIUFLEYRMNC-IRXDYDNUSA-N 391.497 0.667 0 40 GCAB O=C(Cc1ccccc1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12444993 JRLJPQQOYZINAU-UHFFFAOYSA-N 389.481 0.287 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1 19655161 UMDRKKOEIRLQDR-UHFFFAOYSA-N 397.497 0.250 0 40 GCAB COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc2n1CCNCC2 19710651 SRUREDZKZXQLQL-ZDUSSCGKSA-N 377.470 0.958 0 40 GCAB CNc1ncc(C(=O)N2CCO[C@@H](C(=O)NCCc3ccccc3OC)C2)cn1 19747166 DIIDFSUHCDIMPQ-QGZVFWFLSA-N 399.451 0.727 0 40 GCAB Cn1c(=O)c2nc(Br)n(Cc3cn4ccccc4n3)c2n(C)c1=O 29966900 IVZAAQAUCHMDBV-UHFFFAOYSA-N 389.213 0.892 0 40 GCAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(F)c2)c1=O 32682552 GRBLWKPAHDIPES-UHFFFAOYSA-N 375.404 0.897 0 40 GCAB NC(=O)[C@H]1C[C@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 84341415 FTSGGRKWNOFKOT-GZMMTYOYSA-N 390.753 0.755 0 40 GCAB Cc1cc(C)nc(NCCC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)n1 95474983 LCRZYNUIDZWIRQ-UHFFFAOYSA-N 382.424 0.715 0 40 GCAB CCN(C)S(=O)(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 96002597 UICVRKAIMQHSOE-HNNXBMFYSA-N 398.533 0.038 0 40 GCAB Cc1nnc2ccc(N3CCN(C(=O)C4(N)Cc5ccccc5C4)CC3)nn12 97032470 BHNGRMGASLYIFF-UHFFFAOYSA-N 377.452 0.578 0 40 GCAB O=C1C[C@H](NC2CC2)C(=O)N1c1ccc(N2C(=O)C[C@H](NC3CC3)C2=O)cc1 100580975 CYDURKKWJKRXOC-HOTGVXAUSA-N 382.420 0.454 0 40 GCAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1ccc2nnnn2c1 206253011 OCZVNIMXEASRPG-CQSZACIVSA-N 377.364 0.933 0 40 GCAB Cc1nc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc(-n2cccn2)n1 224316304 IDLNYESJILODIB-UHFFFAOYSA-N 393.455 0.789 0 40 GCAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c1 535654347 GGUFDKMOORKBQF-UHFFFAOYSA-N 393.450 0.775 0 40 GCAB O=C1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(CCOCCOc4ccccc4)C[C@@H]32)CCN1 1615057560 GEPHGCCNFIWULB-WOGUSJMUSA-N 387.480 0.655 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773031 MVBSQBIAAUBKKL-UHFFFAOYSA-N 382.486 0.162 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3cc(-n4cccn4)ncn3)CC2)C[C@@H](C)O1 2086886925 DNPWMYRXHYJHAH-IYBDPMFKSA-N 385.472 0.420 0 40 GCAB O=C1c2ccccc2S(=O)(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 1729222 YZOXPYCXFAOPLW-UHFFFAOYSA-N 392.414 0.676 0 40 GCAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1 4270179 JWSVVUWOOJTXJB-UHFFFAOYSA-N 381.410 0.370 0 40 GCAB O=C(O[C@@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5402722 PXPHJZKNDDKDFN-GFCCVEGCSA-N 389.813 0.833 0 40 GCAB COC(=O)C1=C(O)[C@@]2(C(=O)OC)CC(C(=O)OC)=C(O)[C@@](C(=O)OC)(C1)C2 5699864 RTOPVTVAOFUQAH-IAGOWNOFSA-N 384.337 0.473 0 40 GCAB biogenic Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 9883281 CMVVLXVKKOMPOJ-UHFFFAOYSA-N 399.523 0.746 0 40 GCAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc(OC)c1OC 11665664 BGSSHDJMHOAOIL-PSLIRLAXSA-N 377.397 0.543 0 40 GCAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)[C@H]2C1 12188201 AVCVCNZAPPIFFK-ILXRZTDVSA-N 392.543 0.472 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCOCC2)cn1 12523368 MZTCNLKKSRORNB-UHFFFAOYSA-N 381.392 0.560 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N(C)C)CC3)CC2=O)cc1 19581232 CWAZSBFHDBCGKL-OAHLLOKOSA-N 388.468 0.281 0 40 GCAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 21630963 MLHWMISRBUOWJL-SECBINFHSA-N 386.437 0.815 0 40 GCAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 21708702 SOIQNBYGNWMASC-UHFFFAOYSA-N 393.509 0.860 0 40 GCAB COC(=O)/C=C/c1ccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(OC)c1 29697080 AZMLFADEMDEQNQ-DYLGSBMWSA-N 397.449 0.906 0 40 GCAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O 34249252 SEQGOADLZZCJJG-CYBMUJFWSA-N 379.413 0.439 0 40 GCAB COc1ccccc1OCCNC(=O)CN1CCC(NS(C)(=O)=O)CC1 48234760 BGOAGCHERFENFR-UHFFFAOYSA-N 385.486 0.204 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2O)C(=O)O)CC1 72403729 SHOMCHAXHJQXCF-AWEZNQCLSA-N 392.456 0.127 0 40 GCAB CN(C)c1ncccc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998878 DDASWRTYRGFUSQ-CQSZACIVSA-N 382.486 0.414 0 40 GCAB CCS(=O)(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)NCC2CC2)C1 96251190 GAHHYLPVWLTNLL-CRAIPNDOSA-N 393.513 0.623 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@](C)(O)C[C@@]12NNC(=S)N2 228707441 JAOODCGAHPLYJW-YOCBEXAOSA-N 393.465 0.182 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCn2nc(C)nc2C)CCN1Cc1ccccc1 257249116 JGWNXEWODMLGFL-GOSISDBHSA-N 384.484 0.744 0 40 GCAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)C[C@H](O)C4=C(COC4=O)[C@@H]1C[C@@H]1O[C@]13[C@H]2O 257516602 PUJWFVBVNFXCHZ-VTPSTVKSSA-N 376.405 0.074 0 40 GCAB biogenic O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390830427 LBJSLAQLTSNGGM-CYBMUJFWSA-N 381.396 0.931 0 40 GCAB O=C(O)COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408592235 LWOOWDSTIGKINH-RUDMXATFSA-N 399.153 0.890 0 40 GCAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 574355245 MQPNFLSKGIAQCR-SFHVURJKSA-N 382.468 0.954 0 40 GCAB COCCN1C[C@@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585105021 YTXVUJSLKQIPNW-LJQANCHMSA-N 396.509 0.787 0 40 GCAB COc1ccc(CN(CCC(C)C)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 643913493 ZTHMDLJWAVJJCN-OMQSBVIBSA-N 383.485 0.386 0 40 GCAB CCOC(=O)[C@H]1COC2(CCN1C(C)=O)CN(C(=O)c1csc(C)n1)C2 1614927891 FGGSMZISUZHQGW-CQSZACIVSA-N 381.454 0.847 0 40 GCAB CCN1C(=O)[C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCN2C12CCOCC2 1772595482 AMIRNSDFTBPZCN-CQSZACIVSA-N 398.485 0.335 0 40 GCAB Cn1c(O)ncc(C(=O)N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)c1=O 1775974205 DEQQVBZOCCZBII-UHFFFAOYSA-N 397.366 0.546 0 40 GCAB CC(=O)N[C@H]1C[C@H]2CN(CCC(C)(C)C)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332241978 BQFIKGFZMPZBCJ-ULQDDVLXSA-N 378.517 0.739 0 40 GCAB CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 1357828 IVNUWHDKNCFVJE-UHFFFAOYSA-N 376.456 0.129 0 40 GCAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4155241 VWGAURLPXKOXOZ-RFGFWPKPSA-N 380.378 0.104 0 40 GCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)c2ccccc2)CC1 4317974 XCPIOJBQCQAIKI-UHFFFAOYSA-N 396.451 0.448 0 40 GCAB Cc1cc(C)cc(-n2nnc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc32)c1 5057273 QYFBVYIUXZWOFJ-OAHLLOKOSA-N 382.424 0.889 0 40 GCAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 6880373 AQTFKQDUNNDXIP-UHFFFAOYSA-N 383.470 0.478 0 40 GCAB Cn1c(SCC(N)=O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 10386042 DVAPESBDQFKAEQ-UHFFFAOYSA-N 393.856 0.713 0 40 GCAB C[C@@H](Cn1nnn(-c2ccco2)c1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 12145960 IVGFZRXMMOPTRM-NSHDSACASA-N 397.395 0.031 0 40 GCAB Cn1nnnc1SCc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 13639793 AZAQVVDUQPBTLQ-UHFFFAOYSA-N 398.496 0.908 0 40 GCAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4=NNC(=O)CC4)C3)ncc2C1 19018307 VPVZERZHNMUJAV-CYBMUJFWSA-N 384.440 0.353 0 40 GCAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N(C)C)CC3)c(=O)c2c1C 19561411 CHSCHUXYUCAREY-UHFFFAOYSA-N 378.498 0.990 0 40 GCAB O=C(Cn1cc(C(=O)NCc2ncc[nH]2)ccc1=O)NCc1ccc(F)cc1 19749347 WFKJJGIUZVVLQB-UHFFFAOYSA-N 383.383 0.957 0 40 GCAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)sc2c1CCC2 31646831 KEMPOTZRRBWNBO-MRXNPFEDSA-N 394.478 0.702 0 40 GCAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 32902390 WQNKRLKXDAYHNU-QGZVFWFLSA-N 393.469 0.071 0 40 GCAB CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 33358921 BHOPGYBLLSFEGH-OXGONZEZSA-N 391.442 0.396 0 40 GCAB CCOC(=O)[C@H]1CCc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc21 42384846 OFQTZALZWQJSAZ-JTQLQIEISA-N 390.421 0.793 0 40 GCAB CCOC(=O)CN(CCON1C(=O)c2ccccc2C1=O)CC(=O)OCC 65740246 MWQLVWKMTVLBJZ-UHFFFAOYSA-N 378.381 0.642 0 40 GCAB in-vitro Cc1ccccc1N(CC(=O)NCCc1nnc2n1CCC2)S(C)(=O)=O 69587566 NEJATYYCVSGNLI-UHFFFAOYSA-N 377.470 0.658 0 40 GCAB COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 79020039 WZABKOAGFUIHSK-AEFFLSMTSA-N 383.404 0.985 0 40 GCAB CCN(C)S(=O)(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 96000345 CFZFHECZYLCQLS-GFCCVEGCSA-N 386.440 0.354 0 40 GCAB CCn1cc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 102251648 QWWCLSHJQWSNQJ-CYDGBPFRSA-N 380.401 0.096 0 40 GCAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 105677356 JBLTYRKOLSLPOV-ROUUACIJSA-N 395.525 0.818 0 40 GCAB COc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)C2)nn1 225442509 HROGWXYTXFBBMX-JTQLQIEISA-N 392.393 0.762 0 40 GCAB CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O 253481009 QWWUZAJFCIZIIQ-ILXRZTDVSA-N 383.489 0.890 0 40 GCAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1F 390827924 MDHDOHMZBVMBBL-UHFFFAOYSA-N 385.461 0.795 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCO)c(Cl)c1 408637140 YMDYWTINZGAUKB-UHFFFAOYSA-N 380.850 0.142 0 40 GCAB CN(CC(=O)N1CCC(c2nc(O)n[nH]2)CC1)S(=O)(=O)c1ccccc1 539931229 JUXPPRPJHOZMGR-UHFFFAOYSA-N 379.442 0.537 0 40 GCAB O=C(CN1CCOCC1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840666 QBRFPUBSNHHESH-LJQANCHMSA-N 377.416 0.492 0 40 GCAB CCC(CC)C(=O)NC[C@H]1OC[C@@H](n2ccc(O)nc2=O)[C@@H]2OC(C)(C)O[C@@H]21 2037977897 WCBLCGYAGCYIOE-LUYZLQTOSA-N 395.456 0.961 0 40 GCAB Cn1c(SCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc(O)cc1=O 9033736 RXNGTNAXCVPHHW-NWDGAFQWSA-N 388.449 0.386 0 40 GCAB biogenic C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 11694224 PZILQJRWMFSOJR-STQMWFEESA-N 383.445 0.573 0 40 GCAB Cc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 12878714 LMCYLHHIMGOTQT-CYBMUJFWSA-N 381.429 0.916 0 40 GCAB CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 12883476 GIYMEEAEDLJNEU-CQSZACIVSA-N 394.902 0.654 0 40 GCAB CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)O)C2)nc2c1CN(C(C)=O)CC2 19711440 PPBQDSFDFLNYCX-CYBMUJFWSA-N 375.473 0.900 0 40 GCAB O=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(c4cnccn4)C3)cn2)CCN1 31718004 AMNCSKDHUDUEAY-CQSZACIVSA-N 381.440 0.663 0 40 GCAB C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc2nc(N(C)C)oc2c1 95461294 LUNGZYOGIPANAC-LBPRGKRZSA-N 375.429 0.669 0 40 GCAB CCN(c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)S(C)(=O)=O 96234485 IVQOZUXXEWNAOF-UHFFFAOYSA-N 382.530 0.840 0 40 GCAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102332120 YKWGOEPMXPEGRS-FQUUOJAGSA-N 386.364 0.652 0 40 GCAB CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1[C@@H](c1ccccc1)N(CC(=O)N(C)C)C2 257263234 LOZNFWCSUUKQPF-HMXCVIKNSA-N 386.496 0.875 0 40 GCAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CCO1 566662684 BCIVLXIPXDOPBO-XHDPSFHLSA-N 389.401 0.715 0 40 GCAB CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C[C@@H](C(N)=O)C1 585289173 NIMWCNFTNOLPAC-GDAAHCPNSA-N 375.469 0.613 0 40 GCAB CC(=O)N1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)C[C@@H](O)C1(C)C 585291696 RVAJZGVXMUWBPB-SHCNBLLESA-N 393.528 0.875 0 40 GCAB CC(C)NC(=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC1CC1 612737687 NTOZSDMSLIGGJG-UHFFFAOYSA-N 384.506 0.344 0 40 GCAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243105 JNTNPHKXQGXXQN-HNNXBMFYSA-N 379.413 0.731 0 40 GCAB Cc1ccc(CNC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 4571027 YEYNWVFBGOSVRL-UHFFFAOYSA-N 387.465 0.688 0 40 GCAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 5005539 ORBAJRTZBJRABW-LLVKDONJSA-N 384.483 0.855 0 40 GCAB COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 5219048 NBJKIYUNCQGKTF-PWSUYJOCSA-N 394.181 0.698 0 40 GCAB CN(C)C(=O)COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6879593 TYKMWXQMYDEQPT-LBPRGKRZSA-N 379.438 0.479 0 40 GCAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCOCC1 21156111 SZBLKMYRPFZNBS-GOSISDBHSA-N 388.443 0.970 0 40 GCAB COc1ccc2nc(N3CCN(C(=O)CN(C)S(C)(=O)=O)CC3)sc2c1 36687455 KEWLUXBYUIEOBY-UHFFFAOYSA-N 398.510 0.845 0 40 GCAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC(=O)NCc2ccccc2)C1 40134183 MZJUGHPLBBWENR-MRXNPFEDSA-N 381.498 0.871 0 40 GCAB O=C1CN(c2ccc(NC(=O)c3cccc(N4CCNC4=O)c3)cn2)CCN1 40154184 HFPSGJIBTGRNIN-UHFFFAOYSA-N 380.408 0.800 0 40 GCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CN[C@@H]1C=CS(=O)(=O)C1 72394844 ZOUYYQZMXGUSNQ-HZPDHXFCSA-N 379.482 0.238 0 40 GCAB C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)Cn1cnc2c(cnn2C)c1=O 89904311 GYXKOBKTOCHQLX-LBPRGKRZSA-N 393.407 0.927 0 40 GCAB COC(=O)CNC(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101072 ZTIXKRNUQAGHLH-NSHDSACASA-N 375.381 0.778 0 40 GCAB COCCN1Cc2c(C(=O)NC3CC3)ncn2-c2ccccc2S1(=O)=O 105542043 KMUSDLXCTVMXNM-UHFFFAOYSA-N 376.438 0.915 0 40 GCAB CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCSc2ncn[nH]2)cc1 223019594 NDKABPCFOQDTQP-UHFFFAOYSA-N 377.473 0.247 0 40 GCAB COC(=O)CSc1nnc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 223036087 HSWNYPATVUEFHX-MRVPVSSYSA-N 394.500 0.413 0 40 GCAB CN(C)S(=O)(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 225254453 GJADTEQSSHMWAO-AWEZNQCLSA-N 383.470 0.461 0 40 GCAB CS(=O)(=O)N[C@H](CC(=O)NCCN1CCOCC1)c1ccc(Cl)cc1 225952922 NEJBDCJEDJQODZ-OAHLLOKOSA-N 389.905 0.769 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccc(C)n2)[C@@H](O)[C@@H]1O 257211727 CADRJPHUDGWUPC-UIBBOPPKSA-N 397.439 0.427 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@]1(CCN(Cc3ccccn3)C1)CC2 306140473 UUMUXYXLXXQCID-OAQYLSRUSA-N 390.447 0.791 0 40 GCAB O=C(C1CCOCC1)N1CCO[C@H](CS(=O)(=O)NCc2ccccn2)C1 521397044 SLQDPJMHDXNZOY-INIZCTEOSA-N 383.470 0.155 0 40 GCAB COc1ccc(S(=O)(=O)NCc2nc(-c3cnn(C)c3)no2)cc1C(N)=O 575414739 ODMRSJSLSQZRQH-UHFFFAOYSA-N 392.397 0.056 0 40 GCAB Cn1cnc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NCc3cccs3)C2)n1 1614929079 JSYSNMOWJOGOGN-NSHDSACASA-N 386.441 0.057 0 40 GCAB CCOC(=O)[C@](C)(O)c1sc(CCO)c(C)[n+]1Cc1cnc(C)[nH]c1=N 1857793636 LVJUXAQUKVJZEK-QGZVFWFLSA-N 381.478 0.209 0 40 GCAB COC1(CNC(=O)Cn2c(=O)oc3ccccc32)CCN(S(C)(=O)=O)CC1 1889218213 UNFYVBVXNHBQBT-UHFFFAOYSA-N 397.453 0.151 0 40 GCAB O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)OCC(=O)c1ccccc1 1852464 CSKMENSAQIMPEU-UHFFFAOYSA-N 380.356 0.825 0 40 GCAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5947188 NTNJKCZMHJIRSN-HOTGVXAUSA-N 384.388 0.611 0 40 GCAB COc1ccccc1Cn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 6025438 ORUKOENIQFMOAY-UHFFFAOYSA-N 385.424 0.327 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Oc2ccccc2)c(=O)[nH]c1=O 8316051 VDWMFEZMABYODO-CYBMUJFWSA-N 390.440 0.976 0 40 GCAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 15329237 CXIOWKYQXMANQN-CQSZACIVSA-N 379.438 0.618 0 40 GCAB O=C(CCc1nc2ccccc2[nH]1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 32693874 WKGBHXXWFVJHHT-GFCCVEGCSA-N 378.454 0.305 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2F)C(=O)O)CC1 71288021 JBAQVVWDFHSQCP-CQSZACIVSA-N 394.447 0.561 0 40 GCAB O=C(c1cn2ccccc2n1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998814 PKPVQBYZWPWHIK-CQSZACIVSA-N 378.454 0.601 0 40 GCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccoc4)C3)C2=O)o1 225397721 KJYVEAMDTBFFAE-WBVHZDCISA-N 385.420 0.740 0 40 GCAB biogenic,in-vitro CSCC[C@H](NC(C)=O)C(=O)NCc1nnc2ccc(N3CCCC3)nn12 238827093 DZYJOSJWCQHSOJ-ZDUSSCGKSA-N 391.501 0.599 0 40 GCAB O=C(c1cnccn1)N1CC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306136240 PNQIHZOLTWNHSG-AWEZNQCLSA-N 379.424 0.986 0 40 GCAB Cc1nccnc1N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)CC1 647504808 QYSKMYDFYNUOBH-GXTWGEPZSA-N 375.429 0.003 0 40 GCAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1nnc2n1CCOCC2 1615553757 ZKALHUSGMNVAGG-UHFFFAOYSA-N 399.517 0.451 0 40 GCAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cnc(O)n(C)c2=O)C3)nc1 1888853779 OYIUGOBPNNTLDG-BFUOFWGJSA-N 385.424 0.906 0 40 GCAB NC(=O)COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 3286729 LIAGUZUNWCOZOV-OAHLLOKOSA-N 392.408 0.970 0 40 GCAB COc1ccc2[nH]c3c(=O)n(CCC(=O)O)c(SCC(N)=O)nc3c2c1 4878319 JZZZEPDYNGNWLM-UHFFFAOYSA-N 376.394 0.939 0 40 GCAB CCOCCn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4930421 SXGZBAIJCVXMAA-KBPBESRZSA-N 377.489 0.948 0 40 GCAB COc1ccccc1CCNC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 7988210 LCSFEXIAIAZHSH-UHFFFAOYSA-N 380.404 0.863 0 40 GCAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N 16756105 BKALNKGRRJJDIA-UHFFFAOYSA-N 395.441 0.448 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1C 17187181 PEDJWUNMUYQBSR-UHFFFAOYSA-N 376.438 0.533 0 40 GCAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1=O 23927240 CSGVECDSDIXWLM-UHFFFAOYSA-N 398.391 0.205 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(F)ccc3F)CC2)CC1 30697961 HEYIMTJVBXIJEM-UHFFFAOYSA-N 388.440 0.215 0 40 GCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@H]1Cn2ncnc2NC1=O 40386845 DQBLXXWLTFJEKZ-VIFPVBQESA-N 389.368 0.679 0 40 GCAB O=C(CCNC(=O)c1cnn(Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 43058685 SRSVCXOMBCUWHL-INIZCTEOSA-N 390.465 0.355 0 40 GCAB COCCOc1ccc(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cn1 58217792 YEMSQTMKPLZJJP-CYBMUJFWSA-N 386.474 0.900 0 40 GCAB C[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1S(=O)(=O)CC(F)(F)F 95465340 BYLFILJLYPGKOS-ZETCQYMHSA-N 392.343 0.777 0 40 GCAB C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnn[nH]1 95942113 FFLQIYZPVLAPBV-CYBMUJFWSA-N 392.485 0.837 0 40 GCAB CCS(=O)(=O)N1CC2(CCN(C(=O)CNC(C)=O)CC2)c2ccccc21 96078889 KEVPBCHEYNFBSC-UHFFFAOYSA-N 379.482 0.853 0 40 GCAB O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CN(c2ccc(F)cc2)CCN1 257220007 DJEJWKUCJODASZ-INIZCTEOSA-N 384.477 0.146 0 40 GCAB Cc1nc(O)c2c(n1)CN(C(=O)[C@H]1[C@@H]3C(=O)N(C(C)C)C[C@@]34C=C[C@H]1O4)CC2 257286525 PLXGPRDBKYTBFE-NLDJYOPPSA-N 384.436 0.566 0 40 GCAB CC[C@H](C)CNC(=O)c1cn2c(nc1=O)[C@]1(CCN(S(C)(=O)=O)C1)CC2 306132631 LOBJEYVVGQLBRA-SJCJKPOMSA-N 382.486 0.326 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](O)CO)[C@@H]1CCS(=O)(=O)C1 575426226 OZWLJLYBTLNCPL-OLZOCXBDSA-N 397.902 0.179 0 40 GCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@]1(C)CCS(=O)(=O)C1 575426702 YJQRHJGVGVAGRL-OAHLLOKOSA-N 390.483 0.851 0 40 GCAB C[C@H](C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)n1ccc(C(F)(F)F)n1 633552905 HNWVNUUQHHANFW-MFKMUULPSA-N 381.376 0.879 0 40 GCAB O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCO[C@@H]([C@@H]2CCCO2)C1 671771335 YMNBVIXNHKWFHR-UONOGXRCSA-N 394.453 0.248 0 40 GCAB Cn1cccc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@H]3C2)c1=O 1565554610 CHPWEWRFIGZDAY-QAPCUYQASA-N 375.469 0.727 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2cnn(-c3ccc(F)cc3)c2)NC(=O)NC1=O 1616034948 HHTKOYJHGJOCBL-SFHVURJKSA-N 397.370 0.210 0 40 GCAB Cn1cc(-c2cnc(OC3CCN(C(=O)CN4CCOC4=O)CC3)nc2)cn1 1889149564 XBZPVJFOYVLKTI-UHFFFAOYSA-N 386.412 0.699 0 40 GCAB Cc1ccc2nc(COC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc(=O)n2c1 5193784 OFNYYMKRZYMKJD-UHFFFAOYSA-N 384.392 0.911 0 40 GCAB COc1cccc(NC(=O)CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 8294563 SAELAJNYMYNPOY-UHFFFAOYSA-N 396.403 0.796 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(OC(F)F)cc1)c(=O)n2C 11325041 GXTXPODXSITCNU-UHFFFAOYSA-N 393.350 0.352 0 40 GCAB O=C(NCc1cccnc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030251 ULIUSIHNCAVGGQ-MRXNPFEDSA-N 394.474 0.972 0 40 GCAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 12221167 FFVDGMGREAKIDW-JSGCOSHPSA-N 375.454 0.961 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(C)cc2)NC(=O)N[C@H]1C 15940602 MJWXXCNBCHIOOP-LBPRGKRZSA-N 389.408 0.787 0 40 GCAB Cc1ccc(-c2nnn(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)n2)cc1 19533795 XSENOKIPSQNVEH-UHFFFAOYSA-N 386.437 0.612 0 40 GCAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1F 19797156 MGKBNURAVLYRMM-GJZGRUSLSA-N 377.459 0.406 0 40 GCAB COc1ccccc1CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 21359096 RIBIWUCNFDAMMQ-AWEZNQCLSA-N 393.465 0.519 0 40 GCAB Cn1cccc1C(=O)NCCNC(=O)CN1C(=O)COc2ccc(Cl)cc21 23003374 YEVXTCPUFJVJIS-UHFFFAOYSA-N 390.827 0.950 0 40 GCAB CN(CC(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12)c1ncccn1 23174085 MITZSKSQWBQQKT-UHFFFAOYSA-N 379.380 0.551 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@H](CO)Cc3ccccc3)ccc21 49545968 XRBGOEDDFBRFNM-HNNXBMFYSA-N 382.420 0.535 0 40 GCAB O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCN(C[C@@H]2CCCO2)CC1 59324295 LAVIBQNVZRBVNO-INIZCTEOSA-N 392.504 0.277 0 40 GCAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 95475765 LOCCVQZFPLNAFB-UONOGXRCSA-N 379.438 0.047 0 40 GCAB Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO 257221449 DPBYJONCIBAVGU-LMSBXDPUSA-N 393.415 0.725 0 40 GCAB CCOCCOc1ccc(CN2CC[C@@](O)(CNC(=O)COC)[C@H](O)C2)cc1 257224384 FBOZBZQJLHPIGG-UYAOXDASSA-N 396.484 0.162 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cc1 575618435 HWAFQRUBBPKWOI-UHFFFAOYSA-N 393.450 0.671 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)CN1S(C)(=O)=O 585103512 HQZZVEBYFCQWAI-HNNXBMFYSA-N 384.502 0.252 0 40 GCAB CC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 585271050 GDKQLKGIOSJGQH-MFKMUULPSA-N 395.437 0.530 0 40 GCAB Cc1cc(=O)n(CC(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)cn1 1888873321 AZNJMTFCKWFLMO-UHFFFAOYSA-N 388.403 0.413 0 40 GCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)CC2CCOCC2)CC1 2055781591 ROOLISFPKCRAHB-UHFFFAOYSA-N 378.473 0.780 0 40 GCAB CC[C@@H]1C(=O)N=C(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)NC1=O 2746393 MUWGHIPSKLJLLP-UHFFFAOYSA-N 384.439 0.044 0 40 GCAB CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 5026804 GEHSCKDQDANWHW-UHFFFAOYSA-N 377.832 0.564 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 6659084 XXGLEDWUWLKZKI-PEBVRCNWSA-N 393.415 0.910 0 40 GCAB CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2cccs2)c(=O)n(C)c1=O 15940458 NGFDEWJGVYMSOZ-UHFFFAOYSA-N 379.438 0.815 0 40 GCAB Cc1ccc(S(=O)(=O)C[C@H](CN2CCN(C)CC2)N2CCN(C)CC2)cc1 19991337 NXYCAEHHHVAZGY-IBGZPJMESA-N 394.585 0.632 0 40 GCAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(CC(=O)NC2CC2)CC1 22818419 HBIQSFBPDYPZOR-SFHVURJKSA-N 399.539 0.620 0 40 GCAB CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 22878611 DWBNRYKHIFAIAA-UHFFFAOYSA-N 396.495 0.804 0 40 GCAB CN(C(=O)CN1CCCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 24244601 BLHICNGULPHDHJ-GOSISDBHSA-N 379.526 0.840 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C[C@@H](C)O1 48324232 GCUHFLSIRKBSAO-GASCZTMLSA-N 399.488 0.866 0 40 GCAB Cc1cc(NC(=O)CSCC(=O)NCC(=O)NCc2ccncc2)no1 58023646 RGNCVIWACISHAT-UHFFFAOYSA-N 377.426 0.482 0 40 GCAB CC[C@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 101220196 ZJNITTSQIVIBPV-HEHGZKQESA-N 392.456 0.434 0 40 GCAB COc1nccn2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc12 244933229 CIFYICAOHSZTDV-UHFFFAOYSA-N 390.425 0.313 0 40 GCAB Cc1nnc(N2CC3(C2)CN(CC2CC2)[C@H](C(=O)N2CCCO2)CO3)s1 306138518 RZMKBFBGCYZKGX-AWEZNQCLSA-N 379.486 0.680 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 408597093 WHRIAIATXNXQLX-LBPRGKRZSA-N 383.470 0.394 0 40 GCAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CC(=O)N2CCCC[C@H]12 556761438 ZSTAHEQTLIEGPR-HZPDHXFCSA-N 380.489 0.320 0 40 GCAB Cn1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 585083631 TZBFOSKVVPGHOI-AWEZNQCLSA-N 375.454 0.812 0 40 GCAB CN1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 585282943 KAZUFJYMILNVMQ-HKUYNNGSSA-N 381.904 0.454 0 40 GCAB COc1cc(C(=O)N2CCc3c(CNS(C)(=O)=O)nn(C(C)C)c3C2)on1 1565554685 DNSXJHRXZDZSHB-UHFFFAOYSA-N 397.457 0.708 0 40 GCAB CC[C@@H]1C(=O)N(CC)CCN1C(=O)Cn1cnc2c1CCNC21CCOCC1 1615548031 BESIAXQUALYRHM-OAHLLOKOSA-N 389.500 0.504 0 40 GCAB COc1cncc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cccn3nnnc23)c1C 1615611991 SSKNDBKAAAFXCD-WPGHFRTFSA-N 393.407 0.479 0 40 GCAB C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 838160 UZIWTJQQUOTHMG-JTQLQIEISA-N 377.832 0.928 0 40 GCAB biogenic C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1 7979160 ZKLXFLIVHLMFPI-LLVKDONJSA-N 391.355 0.835 0 40 GCAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 8316266 ICWBVHYPKNURMU-VIFPVBQESA-N 393.387 0.278 0 40 GCAB CN(CC(=O)OCC(=O)N1CCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 9494453 MHNPBEMXEZIFAQ-UHFFFAOYSA-N 389.817 0.056 0 40 GCAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(CCC(N)=O)n1C1CC1 12945211 RTPVOBDLDBDOCD-UHFFFAOYSA-N 396.517 0.496 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16024667 FEVMCZQGRMLCIT-QRHKASNESA-N 398.463 0.699 0 40 GCAB Cc1nc(N(C)C)ncc1C(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1 19552719 JBWLNCMVHGFURZ-UHFFFAOYSA-N 396.517 0.340 0 40 GCAB Cc1nonc1CN1CCN(CC(=O)N2CCC[C@@H](c3csnn3)C2)CC1 19559164 BHJSLOJUCLUMCC-CQSZACIVSA-N 391.501 0.753 0 40 GCAB CCN(CC)C(=O)CN(C)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 23800512 OOBRBMCNIRNENO-UHFFFAOYSA-N 380.470 0.394 0 40 GCAB CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 78870283 UTONRBGOZCCDBJ-KGLIPLIRSA-N 384.502 0.585 0 40 GCAB CC1(C)S[C@]2(C)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 257173384 LRPHFKKYEGFXMH-SHFDMQKMSA-N 379.438 0.414 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ncccc2C)[C@@H](O)[C@@H]1O 257235596 GYNNSPBOSPTSRD-CZPYZCIJSA-N 397.439 0.427 0 40 GCAB Cc1nc(N)sc1C(=O)N1CCOC[C@](O)(CNC(=O)c2ccccn2)C1 257342731 ZPXGMHVNLRIIPJ-KRWDZBQOSA-N 391.453 0.062 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@H](OCCO)c2cccs2)C1=O 575621656 QHZMZZSMDASCRX-JTQLQIEISA-N 377.444 0.205 0 40 GCAB Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)n3cnc4c(N)ncnc43)[C@H](C)C2)n[nH]1 616192608 MFFIQJGZRGZJLB-NEPJUHHUSA-N 397.443 0.374 0 40 GCAB CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 641839866 LPBCYDKELYTYDU-RTBURBONSA-N 381.565 0.909 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2cnc(-c3ccncc3)s2)NC(=O)NC1=O 1616035262 XVOBNQVPPSJCLZ-KRWDZBQOSA-N 397.420 0.403 0 40 GCAB CCc1ccccc1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 3360443 UTIBKARWZVMJQL-UHFFFAOYSA-N 375.381 0.034 0 40 GCAB CCOC(CNS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2)OCC 4941062 DLXYHVBWMFYOOY-UHFFFAOYSA-N 388.442 0.464 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 6085361 JKVWMFUWATUCGR-RISCZKNCSA-N 397.453 0.150 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC)sc2C)CC1 6680057 WJCJUMRORFDNJZ-UHFFFAOYSA-N 375.472 0.879 0 40 GCAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)CC1 7007610 SVHRADYIPHYNPK-UHFFFAOYSA-N 387.396 0.621 0 40 GCAB O=C(Nc1ccc2c(c1)OCCO2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 7598805 YQUNUQAEMRZNLL-GFCCVEGCSA-N 393.421 0.562 0 40 GCAB Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccco3)cc21 9645738 RFUCWOODVQFSGB-UHFFFAOYSA-N 384.392 0.919 0 40 GCAB Cc1ccc2c(CN3C(=O)N[C@H](CCS(C)(=O)=O)C3=O)cc(=O)oc2c1 16544383 OGFMXMCHKAUYLC-CYBMUJFWSA-N 378.406 0.957 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 16795564 GYWWUINXXUULCZ-FZMZJTMJSA-N 397.453 0.758 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNS(=O)(=O)c1cccs1 24652091 VEFFKWRQEBQWPJ-UHFFFAOYSA-N 392.462 0.922 0 40 GCAB O=C(c1ccccc1N1CCCC1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24684365 OGIPCGFCOCRNNA-OAHLLOKOSA-N 391.493 0.758 0 40 GCAB CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 30008369 VAHMBGXJMAUDAT-UHFFFAOYSA-N 383.470 0.290 0 40 GCAB COc1ccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 36359490 CURMONJWYYKKKD-JTQLQIEISA-N 375.834 0.773 0 40 GCAB CN(Cc1ccc(F)cc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 36768336 GCHAEYWMBDUADX-CQSZACIVSA-N 381.429 0.950 0 40 GCAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1cc(C)ccc1OC 39985699 KXLYNIKWVMHWFL-UHFFFAOYSA-N 397.497 0.738 0 40 GCAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 40070993 JFENBLCCJMFJNG-UHFFFAOYSA-N 396.513 0.596 0 40 GCAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1c3ccccc3C[C@H]1C(N)=O)C2=O 58191027 XBFPWMJLPREPFT-ZYWJMJLXSA-N 384.436 0.930 0 40 GCAB CCOc1ccc(-c2cn(C3CN(S(=O)(=O)N4CCOCC4)C3)nn2)cc1 96000475 WSORLHMWPTZKGI-UHFFFAOYSA-N 393.469 0.778 0 40 GCAB CNC(=O)CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 108691588 SSZFMRFDWHKIHO-QGZVFWFLSA-N 386.496 0.865 0 40 GCAB CC(C)C[C@@H]1N[Sn]2(N[C@@H](CC(C)C)C(=O)O2)OC1=O 196001508 QISVAQMAPFWLEN-MDTVQASCSA-L 377.029 0.544 0 40 GCAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cccc(-n2cnnn2)c1 575617359 SVKHRXFMGAINCH-ZDUSSCGKSA-N 376.384 0.109 0 40 GCAB Cc1c(C(=O)O)c(NCCN2CCN(S(C)(=O)=O)CC2)nc2ccccc12 649386781 OFJRADNLBQVDKU-UHFFFAOYSA-N 392.481 1.231 0 40 GCAB CN1C(=O)CN(C2CCN(S(=O)(=O)c3ccc4oc(O)nc4c3)CC2)C1=O 828283861 KRQLKQLAZZPYMT-UHFFFAOYSA-N 394.409 0.581 0 40 GCAB C[C@@H]1O[C@H](OC(=O)C2=C[C@]3(O)CC(C)(C)C[C@@]34[C@@H]2CC[C@H]4C)[C@H](O)[C@H](O)[C@H]1O 1772591806 QEZOAVXNNSLPOZ-ZCFVAQCKSA-N 396.480 0.881 0 40 GCAB O=C(Cn1cnnn1)N1CC[C@H]2C[C@@H](CN3CCC4(CC3)CC(F)C4)O[C@H]2C1 2056226735 YSQZVTGYHPOELU-XIRDDKMYSA-N 392.479 0.893 0 40 GCAB CCCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4764225 GCKWVKKTTXIAAL-CQSZACIVSA-N 379.413 0.789 0 40 GCAB CCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[C@H]1CCS(=O)(=O)C1 5184138 XNUVEQBSSPBUGX-NSHDSACASA-N 393.421 0.116 0 40 GCAB COC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1C(=O)OC 20182494 APAMSAPHVBRICR-UHFFFAOYSA-N 378.341 0.507 0 40 GCAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCNC(=O)C1 23421050 WOPAXROWQLHNCI-UHFFFAOYSA-N 377.422 0.639 0 40 GCAB CN(C)S(=O)(=O)N1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1 26169797 LQXWZQPIPUIJFZ-UHFFFAOYSA-N 376.429 0.717 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccncc1 36359364 LJABVCINLCAKOL-YUELXQCFSA-N 382.486 0.599 0 40 GCAB CN(C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)[C@H]1CCS(=O)(=O)C1 44901113 ZPYRMCJWAWMCTK-AWEZNQCLSA-N 379.413 0.695 0 40 GCAB O=C1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cn2)CCN1 71795551 PWHMHKBTROHQPG-UHFFFAOYSA-N 380.470 0.704 0 40 GCAB CCOC(CNC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1)OCC 96395597 SZJNAIJDGSYWAV-UHFFFAOYSA-N 389.460 0.789 0 40 GCAB CCN(CC)C[C@@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 97104234 LBGRECITVLBACR-CQSZACIVSA-N 377.532 0.615 0 40 GCAB O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 101202796 PGYHHLNKTGLNSE-AHCXZYCDSA-N 380.448 0.647 0 40 GCAB C[C@@H]1[C@@H](NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CCC[C@H]1C 245241453 DWUBVTFHAOGKPT-VWYCJHECSA-N 379.486 0.993 0 40 GCAB Cn1nccc1C(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 248031082 LIWOCKIRGZLJJO-ZDUSSCGKSA-N 376.438 0.523 0 40 GCAB COCCOc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OC 585269587 AASWYQNQYJHFJX-FQEVSTJZSA-N 380.485 0.989 0 40 GCAB Cn1cccc(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)c1=O 1565549057 OGXDUSFGYZKJLY-CWRNSKLLSA-N 375.425 0.559 0 40 GCAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(C)[C@@H](CNC(=O)c3ccccc3)C(=O)N2C1 2332242220 SIRNBRYGSMNZAM-ULQDDVLXSA-N 387.484 0.408 0 40 GCAB COC(=O)c1sc(S(=O)(=O)NCCCC(=O)O)c(C(=O)OC)c1C 1795965 ZHOILYMEWCDLPD-UHFFFAOYSA-N 379.412 0.773 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccn4)ncnc32)[C@H](O)[C@@H]1O 4823425 MYLPTWRLZBDWTN-XQCUEUFKSA-N 375.410 0.125 0 40 GCAB CN(C(=O)COC(=O)c1cc(=O)c2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 6169332 BUNHVYORPCCQTQ-LLVKDONJSA-N 379.390 0.595 0 40 GCAB CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8814451 IAWSJIXZFIWOAB-SNVBAGLBSA-N 382.471 0.798 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 9094913 SXYLXXTWYCJXLP-UHFFFAOYSA-N 397.497 0.820 0 40 GCAB CCCn1nc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c2ccccc2c1=O 10613742 ZVTDSIZMCDXAKN-UHFFFAOYSA-N 384.392 0.561 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)s1 11204733 JZJSXBILKZZQFS-UHFFFAOYSA-N 395.462 0.827 0 40 GCAB CN(CC(=O)Nc1ncccn1)S(=O)(=O)c1ccc2c(c1)OCCCO2 12895770 BSCIETOCQJBAAV-UHFFFAOYSA-N 378.410 0.897 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(-c2ccncc2)n1 13265464 QHQNZHHVOHESJQ-UHFFFAOYSA-N 375.454 0.725 0 40 GCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc(-c2nnnn2C)c1 14518538 RKALGDZLHSUPNT-UHFFFAOYSA-N 378.400 0.695 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccccn3)CC2=O)cc1 20733722 NZVAVROVKAZHDB-AWEZNQCLSA-N 382.420 0.989 0 40 GCAB COC(=O)[C@@H](CN1CCN(CC(=O)NCC(C)C)CC1)[C@H](O)c1ccncc1 22922045 HDRUNYUHVUKLHY-PKOBYXMFSA-N 392.500 0.294 0 40 GCAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 38828120 JTDYRMKSJMIODX-ZDUSSCGKSA-N 399.407 0.680 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccc(OC)n3)CC2)c1 40151508 LOEXPXDTEPJKTB-UHFFFAOYSA-N 392.437 0.783 0 40 GCAB CCN(CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 40154550 BZJHPYXGSJVXKI-UHFFFAOYSA-N 388.468 0.043 0 40 GCAB COC[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 40159532 ROJJTMRJBLQCDY-BLLLJJGKSA-N 386.470 0.912 0 40 GCAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 58210780 ZAMYVLOLPAOUIT-CQSZACIVSA-N 376.457 0.616 0 40 GCAB Cn1nnn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1=O 77100107 LSSLRAGTLPURQQ-UHFFFAOYSA-N 389.393 0.538 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 96222969 YQEKIHJCCFOMPK-KGLIPLIRSA-N 379.438 0.191 0 40 GCAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@@H](C)N(S(C)(=O)=O)CC3)cn1 306142712 XGZUMANPSFDSOO-GFCCVEGCSA-N 378.458 0.177 0 40 GCAB COc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1 585282507 FIYSJVGNXMZECJ-ROUUACIJSA-N 375.469 0.568 0 40 GCAB CCOC(=O)N1CCC(O)(CN2CC[C@@H]3[C@@H](CCCCN3CC(N)=O)C2)CC1 585284573 TYTXOGRZVYCYGY-DLBZAZTESA-N 396.532 0.632 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 672346324 QUOSHTNUWMAZGH-GOSISDBHSA-N 397.497 0.827 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565547458 JGLUKVCMCKLVAU-KSSFIOAISA-N 375.404 0.689 0 40 GCAB C[C@]1(CO)CCCN(c2ncc(S(=O)(=O)NCCO)cc2C(F)(F)F)C1 1615053362 HTVLJIMWACUAFM-AWEZNQCLSA-N 397.419 0.970 0 40 GCAB CN(C(=O)c1cc[nH]n1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971889 WVCPTQZMHDJAJS-UHFFFAOYSA-N 375.396 0.870 0 40 GCAB C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO 3977911 GFNANZIMVAIWHM-AOQGOEOOSA-N 394.439 0.621 0 40 GCAB in-vitro CCCCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 4569406 XWQCYGVQSJXICZ-AWEZNQCLSA-N 397.497 0.881 0 40 GCAB Cn1nnc2c(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ncnc21 13534426 GWHAXZHQXMFAPP-UHFFFAOYSA-N 395.395 0.547 0 40 GCAB CCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCO2 14397096 QUEIXMFJLUWOSQ-UHFFFAOYSA-N 397.453 0.295 0 40 GCAB CN1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19589747 WCCHUGWYPBQEMB-HXUWFJFHSA-N 385.468 0.325 0 40 GCAB CC(C)c1cc(C(=O)N[C@H](C)CN2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 19714546 QQWHXZYCRZUPDW-GFCCVEGCSA-N 389.456 0.196 0 40 GCAB CCC[C@H](C)NC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 32691720 AXLFJQISEBCARE-NWDGAFQWSA-N 381.454 0.962 0 40 GCAB COc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 38719093 WAHFWNXNNSTCPH-UHFFFAOYSA-N 393.421 0.606 0 40 GCAB Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1 40144499 VHTVHXQPNOLFOM-UHFFFAOYSA-N 396.400 0.594 0 40 GCAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 48332579 PCDCNUXZYSECBC-OAHLLOKOSA-N 396.465 0.794 0 40 GCAB CN(C)Cc1cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nn1C 72370172 AHYRDHJVVPECTF-INIZCTEOSA-N 391.516 0.827 0 40 GCAB COC(=O)CCCNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 89749526 DJNITNBCCWUHOD-UHFFFAOYSA-N 377.401 0.060 0 40 GCAB COc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 224383215 NOENCUSQZNDQPS-CQSZACIVSA-N 385.486 0.709 0 40 GCAB CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(F)c3)CC2)CC1 633894793 SDNZZUZWKCNABQ-UHFFFAOYSA-N 384.477 0.651 0 40 GCAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCN3CCOCC3)CCOCC2)o1 1547139588 UUTDFTUMVMEQMX-UHFFFAOYSA-N 380.441 0.541 0 40 GCAB biogenic CCN1C(=O)C[C@H](C(=O)N2CCN(c3cnn(C)c3)CC2)[C@H]1c1nccn1CC 1615547727 LYMCNOKPINAKHA-WMZOPIPTSA-N 399.499 0.895 0 40 GCAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)N[C@@H]1CCS(=O)(=O)C1 5262213 VFXGGCLNPGESSO-GFCCVEGCSA-N 393.421 0.016 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1 5659559 LJTMJGVTYQRDLD-UHFFFAOYSA-N 388.405 0.866 0 40 GCAB CCCc1cnc2c(c1SCC(=O)N1CCOCC1)c(=O)n(C)c(=O)n2C 10216692 CWTFVOIFIDWIPJ-UHFFFAOYSA-N 392.481 0.536 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](O)COc3ccccc3)ccc21 12239129 OSRYEYFEYWGLLO-GFCCVEGCSA-N 378.406 0.850 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)CC1=O 19526970 CCLTVQUARJXCRO-MRXNPFEDSA-N 399.495 0.956 0 40 GCAB CC(C)(CN1CCOCC1)NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 19749823 KVAPSHSBLNNXST-UHFFFAOYSA-N 386.456 0.757 0 40 GCAB COC(CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)OC 19797290 BXUNZWLQOLPJSS-STQMWFEESA-N 397.902 0.488 0 40 GCAB CN1CCN(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 22829579 YOFUIWZPWFWOEA-UHFFFAOYSA-N 386.493 0.345 0 40 GCAB CN(Cc1cnn(C)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 24471041 KUSUKCIERLQKAM-UHFFFAOYSA-N 396.444 0.852 0 40 GCAB O=C(Cc1ccccc1)NCCC(=O)N1CSC[C@H]1C(=O)N1CCOCC1 25044021 RYUPRPCZJBBORZ-INIZCTEOSA-N 391.493 0.496 0 40 GCAB C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 33831575 HRSGCYGUWHGOPY-RGIUITQUSA-N 397.468 0.305 0 40 GCAB CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 40149781 CHXNNPCXJTXFDD-LBPRGKRZSA-N 389.499 0.274 0 40 GCAB Cc1cc(N2CCC[C@@H](NC(=O)Cn3c(=O)oc4ccccc43)C2=O)n(C)n1 95403714 PTKUOJBDVZKJLL-CYBMUJFWSA-N 383.408 0.948 0 40 GCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)Nc1cccc(CN2CCOCC2)c1 108088903 JNJHHOIYYYLLPH-FPAYPSAMSA-N 399.447 0.620 0 40 GCAB COc1ccc(-c2nnc(S[C@H]3CCS(=O)(=O)C3)n(N)c2=O)cc1OC 217377053 UOZKXZAIJVNXFH-JTQLQIEISA-N 398.466 0.316 0 40 GCAB Cc1ccccc1N(CCCC(=O)NCCN1CCOCC1)S(C)(=O)=O 222558085 NQLJEWCUHWDYSM-UHFFFAOYSA-N 383.514 0.990 0 40 GCAB COc1ccc(S(=O)(=O)NCc2nc(-c3cc(C)on3)no2)cc1C(N)=O 238815629 BJXOLHNEXINZNX-UHFFFAOYSA-N 393.381 0.619 0 40 GCAB C=CC(=O)Nc1cccc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c1 1180354731 FLDHWIXECOIQLV-HNNXBMFYSA-N 382.424 0.824 0 40 GCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3cnsn3)CC2)c1 1565523160 HDFRBFAUBBIBFZ-UHFFFAOYSA-N 398.466 0.844 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2ncnn2C[C@@H](C(=O)Nc2ccccc2)C1 1614930133 SOBFXPBYQDCYAQ-ZDUSSCGKSA-N 391.453 0.310 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)C2=CCCC2)CC1 2055746315 NJMJQQFLZASTBI-UHFFFAOYSA-N 375.473 0.488 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCCn2ncc(C(=O)NC3CCCC3)c2C1 2055751210 VPCUOEQCBAJVSQ-UHFFFAOYSA-N 382.486 0.723 0 40 GCAB O=C(Nc1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243061 GMWVIXUGGISVPB-AWEZNQCLSA-N 395.416 0.517 0 40 GCAB CC(C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2121165 HAJNTYBQBCQKOX-KRWDZBQOSA-N 376.365 0.513 0 40 GCAB biogenic C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 6904190 MQACEJAWNLEIIN-XNTDXEJSSA-N 383.364 0.828 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O 8624334 HLHXTNKEYZALHV-CIRFHOKZSA-N 377.441 0.163 0 40 GCAB biogenic,in-vitro C[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 14069280 DAGUGPCRVJORKW-GOEBONIOSA-N 394.497 0.407 0 40 GCAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCN1CCOCC1 23642396 CGWUXJWXZTZWRD-UHFFFAOYSA-N 377.413 0.082 0 40 GCAB CS(=O)(=O)N1CCCN(CC(=O)NC(=O)NCCc2cccs2)CC1 24924195 BJXWWAGHZJAGAR-UHFFFAOYSA-N 388.515 0.084 0 40 GCAB CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 36360707 BFOAGAJWLIFUCF-MRXNPFEDSA-N 397.497 0.497 0 40 GCAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)nc21 36708418 DXHYAUNMKZXXPR-MRVPVSSYSA-N 378.410 0.602 0 40 GCAB CC(=O)N1C[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)Oc2ccccc21 40062187 XHNRSLBERVXWLU-INIZCTEOSA-N 381.454 0.341 0 40 GCAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 95461739 MPGXSDMTMNHKJY-SNVBAGLBSA-N 396.874 0.568 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](CC(=O)O)C2)c(C)c1 95970720 JDJVCRAOIHLBIK-CQSZACIVSA-N 384.454 0.674 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)C[C@@H](C)O1 524165222 ZOCMKLZEOLVFMU-CHWSQXEVSA-N 380.474 0.434 0 40 GCAB COc1nc(CNS(=O)(=O)c2cn(C)c(C(C)C)n2)nc(N2CCCC2)n1 575604349 WVYPYLASLYECEK-UHFFFAOYSA-N 395.489 0.816 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccsc2)n2cccn2)C1=O 575614134 OISGUSRSGPYIOL-GFCCVEGCSA-N 383.455 0.941 0 40 GCAB C[C@@H](C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCNC1)c1cccs1 583621993 GGDJTHQNBAREBQ-TZMCWYRMSA-N 376.482 0.640 0 40 GCAB CC(C)n1nc2n(c(=O)c1=O)CC1(CCN(C(=O)c3ccnc(F)c3)CC1)C2 585105981 XCGZZFGCCKMYDJ-UHFFFAOYSA-N 387.415 0.999 0 40 GCAB O=C(C[C@@H]1CO[C@@H]2CN(C(=O)CCc3cncnc3)C[C@H]12)Nc1cnccn1 585108584 WFOWRODCQKTURE-BZUAXINKSA-N 382.424 0.701 0 40 GCAB C[C@@H]1CN(CCN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 660228947 SJKPPCBVLWCPOL-BRWVUGGUSA-N 375.535 0.222 0 40 GCAB COCCOCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)OC)C1 1615058752 WALCNKSYAHFONH-LSDHHAIUSA-N 385.461 0.235 0 40 GCAB CCn1c(=O)c2c(nc(SCC(=O)N3CCCCCC3)n2C)n(C)c1=O 887183 JDJJAHJGGGCCNK-UHFFFAOYSA-N 379.486 0.948 0 40 GCAB CCOC(=O)[C@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O 4428336 YDQFEYZKJCQJIE-LNFKQOIKSA-N 376.358 0.296 0 40 GCAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 4944020 RNJJKGNRJCSIIN-AWEZNQCLSA-N 386.470 0.546 0 40 GCAB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7655464 HZNZUDZIYCXJCG-LLVKDONJSA-N 384.410 0.695 0 40 GCAB Cc1ccc(N2CCn3c2nn(CC(=O)Nc2cc(C)on2)c(=O)c3=O)cc1 8849760 XMPVTUDGRDPEAA-UHFFFAOYSA-N 382.380 0.800 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)CC1 9060280 VRNXOAAXFJQMSP-ZDUSSCGKSA-N 387.444 0.870 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)NCc3ccc(N4CCCC4=O)cc3)cnc21 12825426 XUHQSIBGLOATOG-UHFFFAOYSA-N 380.408 0.573 0 40 GCAB Cn1c(N)c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c1=O 14129498 CBDFNAODPOJCCJ-UHFFFAOYSA-N 399.436 0.619 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(CCCN(C)C)CN2)cc1 19959143 NMDVGKYCGPPPQO-UHFFFAOYSA-N 382.490 0.051 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCOCC1 24978473 ITELQOJWHOODGA-UHFFFAOYSA-N 389.424 0.130 0 40 GCAB CCCn1c(=O)n(CC(=O)NC2CCN(CC(=O)NC)CC2)c2ccccc21 25232818 OEKOZYDPMGFDBB-UHFFFAOYSA-N 387.484 0.540 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2cn3ccsc3n2)C[C@@H](C)O1 40089340 SGVJQACAVADMSP-TXEJJXNPSA-N 386.499 0.494 0 40 GCAB COC(=O)c1cnc(NC[C@@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 40153353 SMODWPULSJLXMJ-ZDUSSCGKSA-N 385.442 0.480 0 40 GCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1cccs1 57415902 KJNOPDJXOBPNSG-CQSZACIVSA-N 378.454 0.726 0 40 GCAB O=C(OCC(=O)N1CCOCC1)c1cccnc1S(=O)(=O)C(F)(F)F 57997026 XHYJVYMKUGJMET-UHFFFAOYSA-N 382.316 0.391 0 40 GCAB Cc1cccc(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C 58229678 IKBVLQGOADPIHJ-IAGOWNOFSA-N 381.498 0.017 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)cn1 95455479 SOVMVUWLEQGERO-ZDUSSCGKSA-N 387.483 0.799 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 96224198 SKDRSBMQMRHXPP-KGLIPLIRSA-N 397.428 0.330 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 102187719 JIBQCAFLNNMGDC-AEGPPILISA-N 397.497 0.256 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1 224223022 IOOYFKCQILJALS-UHFFFAOYSA-N 394.453 0.809 0 40 GCAB Cc1noc(-c2ccn3c(CNC(=O)Cn4cnc(C)c(C)c4=O)nnc3c2)n1 225745120 KNYUWEXTDFKMBN-UHFFFAOYSA-N 394.395 0.578 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cnc(C)nc3)CC2)CC1 257201419 AHQMAJPLQLFRSJ-FQEVSTJZSA-N 389.500 0.743 0 40 GCAB O=c1c(=O)n2c(nn1Cc1cccnc1)CC1(CCN(c3ncccn3)CC1)C2 306142250 WUPPCZKHVGLEQL-UHFFFAOYSA-N 391.435 0.481 0 40 GCAB O=S(=O)(c1cnc[nH]1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888914273 VQFJTOJPIBFMNN-NSHDSACASA-N 389.441 0.814 0 40 GCAB CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)CC1 2732628 BUFAFNGTPIJOPQ-OAHLLOKOSA-N 397.545 0.730 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NC(C)C)cc1 4569443 UPLIZBHICKFGJZ-ZDUSSCGKSA-N 383.470 0.489 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C)c(C)c1N(C)S(C)(=O)=O 5554097 UJJILWXNXIHFTR-UHFFFAOYSA-N 391.515 0.456 0 40 GCAB C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(S(N)(=O)=O)cc1 6085385 IRUZHGMGJQNAFD-NSHDSACASA-N 387.417 0.807 0 40 GCAB O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 8036370 LPDPEJDEXGPBPZ-MRXNPFEDSA-N 396.465 0.860 0 40 GCAB O=C(CSc1nnc2n1CCCCC2)NC(=O)N[C@@H]1CCS(=O)(=O)C1 9729432 IQEDXWBMWWCNRP-SNVBAGLBSA-N 387.487 0.110 0 40 GCAB Cc1cc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1N1CCCC1=O 10747182 GISGBQYBNGJHSK-GFCCVEGCSA-N 399.451 0.785 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O 13143320 MLNDIOXDTRMKNC-UHFFFAOYSA-N 383.408 0.480 0 40 GCAB CCN1C[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O 19526920 LCMRPHCCNOZERN-RHSMWYFYSA-N 385.468 0.913 0 40 GCAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCN(C(C)=O)C3)nc2NC)C1 19752838 GSHGXGSGKJLJFI-CYBMUJFWSA-N 381.502 0.952 0 40 GCAB CN(C)C(=O)CCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(CO)cc23)CC1 32104518 BPODAKYRQJPTEZ-IBGZPJMESA-N 388.468 0.882 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375412 IXUGXRFAPZBLMB-UVRGCKFOSA-N 375.400 0.725 0 40 GCAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)N1CCOCC1 38185637 WHSVZCGXCCAQBK-ZDUSSCGKSA-N 387.396 0.109 0 40 GCAB O=C(C1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1)N1CCOCC1 48326382 BJTJHDIUBJQHQE-SFHVURJKSA-N 398.467 0.554 0 40 GCAB CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@@]2(CNC(=O)C2)C1 96262016 LETKXIFDBXADMC-KRWDZBQOSA-N 380.470 0.077 0 40 GCAB CN(c1cc(C(=O)NCCN2CCOCC2)ccc1Cl)S(C)(=O)=O 225974798 PFRGIQZSMJUEOY-UHFFFAOYSA-N 375.878 0.798 0 40 GCAB Cn1nccc1C(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 248031076 LIWOCKIRGZLJJO-CYBMUJFWSA-N 376.438 0.523 0 40 GCAB OC[C@@H]1O[C@H](O[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O 257239878 HREUTUWILNMRSM-CFSOAWKOSA-N 380.437 0.502 0 40 GCAB Cn1cc(-c2cc(CNC(=O)N3CCN(S(C)(=O)=O)C3=O)ccn2)cn1 575617445 AXEIJKOQZCBQFG-UHFFFAOYSA-N 378.414 0.389 0 40 GCAB C[C@@H](C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)n1nc(C2CC2)ccc1=O 575621585 YTLFABNHHMEUOF-LBPRGKRZSA-N 380.470 0.318 0 40 GCAB Cn1c(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cccc1=O 1565555394 GQLFFGQTHLZLLA-OXQOHEQNSA-N 376.453 0.917 0 40 GCAB C[C@H]1Cc2cc(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)ccc2N1S(C)(=O)=O 1636502584 RDFUSIXIKQTLLX-CMPLNLGQSA-N 376.442 0.540 0 40 GCAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cnc(O)n(C)c5=O)C[C@H]4C3)n1)CCC2 1888875844 NKDBFLYHTMSGFZ-CHWSQXEVSA-N 396.451 0.281 0 40 GCAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(C)=O)(C(F)(F)F)C(=O)N3)cc1 3624305 DYDXJUQPIFBRIG-HNNXBMFYSA-N 398.297 0.380 0 40 GCAB CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1 4277713 DOMPUDGZGAJQRK-UONOGXRCSA-N 396.451 0.398 0 40 GCAB biogenic,in-vitro COCCn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314290 SLSAZGPMWYMNMP-CYBMUJFWSA-N 375.429 0.592 0 40 GCAB CCn1cc([C@@H]2C[C@H](C(=O)NC[C@@H]3CCCO3)N(C)S(=O)(=O)N2)c(C)n1 12130510 FIFJIHWZWHHNDE-AEGPPILISA-N 385.490 0.086 0 40 GCAB CC(C)(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(F)c1 19666135 WWCCGVYFGHEPNX-UHFFFAOYSA-N 399.488 0.825 0 40 GCAB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 22198135 ZDFVBSGWBAWLSE-ZDUSSCGKSA-N 383.470 0.938 0 40 GCAB CC1(C)Cc2c(sc3nc(CN4CCN(CCO)CC4)[nH]c(=O)c23)CO1 40286609 QRQJIWNMNJOZCM-UHFFFAOYSA-N 378.498 0.946 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)c2coc(NC(=O)C3CCC3)n2)cc1 77101399 WLNPCKMAWPDIRD-UHFFFAOYSA-N 378.410 0.991 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)C1(O)CCSCC1)[C@@H]1CCS(=O)(=O)C1 95451100 DNHKKKUTEAPPFM-NWDGAFQWSA-N 379.500 0.212 0 40 GCAB CC(C)(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 95459533 RIZOLWFUFOHMNJ-UHFFFAOYSA-N 392.499 0.953 0 40 GCAB O=C(Cn1ccnn1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001415 APBWONNIRRACIN-SFHVURJKSA-N 382.468 0.614 0 40 GCAB COc1ccc(OC)c(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c1 222673987 OOHQUAANTJVNHF-UHFFFAOYSA-N 375.381 0.837 0 40 GCAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1 222888639 VRZHPHGZEAYXQI-UHFFFAOYSA-N 391.519 0.523 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC)[C@@H](O)[C@H]2O1 225515444 UQOXTQIWESHOLS-UZKILMIQSA-N 394.468 0.223 0 40 GCAB biogenic,in-vitro NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575425700 HJTXKCYZCCECAW-JTQLQIEISA-N 396.874 0.175 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 1565552713 UESJTYKFOSIEQY-UHFFFAOYSA-N 379.482 1.000 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(OC)cc2)c(=O)[nH]c1=O 5674444 BRJBSBRAAOLRAI-UHFFFAOYSA-N 390.440 0.760 0 40 GCAB CCN(C(=O)COC(=O)CNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 8233451 YYOIYKASEARJPZ-OAHLLOKOSA-N 396.465 0.304 0 40 GCAB COc1ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1S(=O)(=O)N(C)C 8734892 GESQKUCFBVAKCO-GFCCVEGCSA-N 386.474 0.967 0 40 GCAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccco1 10157572 VNPUUKBDJJWLGJ-JKSUJKDBSA-N 383.408 0.813 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCCCN1C(=O)NC2(CCCC2)C1=O 10424761 ULWDBIKTCWVPDW-UHFFFAOYSA-N 397.435 0.767 0 40 GCAB CCN1CCN(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)C(=O)C1=O 12411949 YTXZIMCBSAVHGX-UHFFFAOYSA-N 394.859 0.806 0 40 GCAB Cn1c(=O)c2c(nc(NN)n2Cc2cccc(Br)c2)n(C)c1=O 13512965 AGVLSXSXSLHOKZ-UHFFFAOYSA-N 379.218 0.530 0 40 GCAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19766735 KBGAYZNLSZYRHI-AWEZNQCLSA-N 390.469 0.937 0 40 GCAB CCc1nn2c(=O)cc(CN3CCN(CC(=O)NC4CC4)CC3)nc2s1 22930869 NLKKERVJDSKNMA-UHFFFAOYSA-N 376.486 0.110 0 40 GCAB CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@@H]1c1cccs1 54361216 MIIFIGXRBMAEGF-KOTGUFOOSA-N 392.458 0.985 0 40 GCAB O=C(NCCN1CCS(=O)(=O)CC1)c1ccccc1OC[C@@H]1CCCO1 58420335 PUYFDRHXHKXRHE-HNNXBMFYSA-N 382.482 0.705 0 40 GCAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nnc2ccccn12 72325580 UOMVPXGOPAXKKY-AWEZNQCLSA-N 378.392 0.876 0 40 GCAB biogenic COC(=O)CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95479892 KHJHIEFMTTZBCB-QMMMGPOBSA-N 395.213 0.968 0 40 GCAB CN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O 96113499 UGNNBSMXVCTTOZ-NVXWUHKLSA-N 391.516 0.822 0 40 GCAB biogenic,in-vitro COc1ccc(OC[C@@H](O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)cc1 100619030 ZIYIZNJURNYGFB-JTQLQIEISA-N 392.437 0.171 0 40 GCAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1cn(C)nc12 306127430 FYMIWSOYQVRHOZ-UHFFFAOYSA-N 383.456 0.881 0 40 GCAB Cc1ccc(S(N)(=O)=O)c(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1 565386441 UEBXASMJHKHOQM-HNNXBMFYSA-N 394.497 0.067 0 40 GCAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 575616120 JIRNNEQHVOWGIG-HNNXBMFYSA-N 391.453 0.935 0 40 GCAB CC(C)CN1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)[C@]2(CCNC2=O)C1 1565547105 FLGPCGSJETWCHS-MXTNKPTQSA-N 375.513 0.966 0 40 GCAB C[C@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O 2655550 WRYOSPNCZSAXOH-LLVKDONJSA-N 395.371 0.952 0 40 GCAB CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 3027743 WNDAAJQHCGXOOY-LLVKDONJSA-N 375.472 0.128 0 40 GCAB NC(=O)COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 3286727 LIAGUZUNWCOZOV-HNNXBMFYSA-N 392.408 0.970 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)OC)c1 6433284 CMXJMZHNKWGFDX-HIFRSBDPSA-N 384.454 0.466 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1 7166311 AZDVRSMWALTHGE-UHFFFAOYSA-N 378.406 0.555 0 40 GCAB COc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1 9037384 ZGZBFBBKJDMMFS-UHFFFAOYSA-N 396.407 0.836 0 40 GCAB CN(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(F)c1 13004335 WNBWPDCCDUYTMI-INIZCTEOSA-N 399.426 0.804 0 40 GCAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1 20503886 XWGNORHEZGBSJN-GBESFXJTSA-N 387.528 0.677 0 40 GCAB biogenic,in-vitro CN1CCN(C(=S)NC(=O)c2c(I)cnn2C)CC1 22402116 NVHGIJLYRVXLCR-UHFFFAOYSA-N 393.254 0.287 0 40 GCAB CCn1nnc2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccc21 23102465 YEFLQRNGXPZVIF-UHFFFAOYSA-N 392.485 0.550 0 40 GCAB COc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1F 23256943 QEUKRGBOXZAIPL-OAHLLOKOSA-N 399.488 0.255 0 40 GCAB C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O 40024627 IUWDLJSKZJGCCU-GFCCVEGCSA-N 389.433 0.764 0 40 GCAB O=C(COc1ccccc1F)N1CC(C(=O)N2CCN(c3ncccn3)CC2)C1 70637460 GBXNFEPMXDIDCL-UHFFFAOYSA-N 399.426 0.802 0 40 GCAB O=S1(=O)C[C@@H](O)[C@@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)C1 95452424 LCYVLVDGBBZPFE-UONOGXRCSA-N 388.449 0.656 0 40 GCAB O=C1N[C@H](C(=O)NCc2cccc(=O)[nH]2)CS[C@H]1Cc1ccccc1F 95458598 FJWYTOCAFQNXLP-GJZGRUSLSA-N 375.425 0.973 0 40 GCAB Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 144122690 YXQSQDQDYVOJLV-LEIICMHDSA-N 395.363 0.065 0 40 GCAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)n1 222756243 RPUZGAMZBPRKHE-UHFFFAOYSA-N 399.498 0.651 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@H]12 409300655 XXAMBXULZUWPNR-SGRBUWKTSA-N 389.404 0.936 0 40 GCAB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1C[C@@H](O)C[C@H]1CO 521627755 BBIQWPSFIKLOEQ-IUCAKERBSA-N 383.253 0.226 0 40 GCAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 529822714 MSWTYKSWPGYKEG-IERDGZPVSA-N 381.432 0.913 0 40 GCAB CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 4386214 HQCYQBUPIBXBDS-CYBMUJFWSA-N 387.440 0.614 0 40 GCAB O=C(NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O)c1ccco1 8624306 XWRZJJNFJZUZRV-OGWHTMIXSA-N 386.404 0.478 0 40 GCAB biogenic,in-vitro C[C@@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1 12145995 RGYKLBRYZAJCIV-ZDUSSCGKSA-N 378.396 0.551 0 40 GCAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCO)c2ccccc2N1 13570696 LPRGTGCKCXPOKB-INIZCTEOSA-N 382.420 0.875 0 40 GCAB COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@H](C)O 14113929 RQVWBADQFBHKTB-WFASDCNBSA-N 384.454 0.432 0 40 GCAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)C(=O)O 16899501 UTUVBQGJGHLLFS-VXGBXAGGSA-N 380.378 0.339 0 40 GCAB CCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1cc(OC)ccc1O2 19529352 YXOBHRJPPVNAOQ-IBGZPJMESA-N 375.425 0.705 0 40 GCAB Cc1cc(N2CCN(CC(=O)N(C)CC(=O)NC3CC3)CC2)nc(C(C)C)n1 25057487 RGBNYEHVQKWJCL-UHFFFAOYSA-N 388.516 0.767 0 40 GCAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCC(C(N)=O)CC2)Oc2ccccc21 26112639 YVCKOSOEVZKMBC-HNNXBMFYSA-N 381.454 0.328 0 40 GCAB Cc1cc(=O)n2nc(CN3CCCN(CC(=O)NC(C)(C)C)CC3)sc2n1 29148657 OJAVSVFFDHYNJQ-UHFFFAOYSA-N 392.529 0.882 0 40 GCAB CCN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 57438935 OJYRBFYEHGZYCK-QGZVFWFLSA-N 383.489 0.983 0 40 GCAB CN(C)CCNC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 71280803 BUFSEKUWENEJQS-UHFFFAOYSA-N 380.448 0.889 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@@H](CO)Cc3ccccc3)ccc21 71329016 XRBGOEDDFBRFNM-OAHLLOKOSA-N 382.420 0.535 0 40 GCAB O=C(NCCCn1ccnc1)c1cnc(O)n(Cc2ccc3c(c2)OCO3)c1=O 77099869 DOKXUOVRFOFUSK-UHFFFAOYSA-N 397.391 0.743 0 40 GCAB CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 95444195 CFDLEBRBESQIQT-ZDUSSCGKSA-N 393.492 0.575 0 40 GCAB O=C(N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)c1ccccn1 95998994 ZACBNGKVWYGJLP-ZDUSSCGKSA-N 389.424 0.826 0 40 GCAB O=C(O)CO[C@H]1CC(=O)N2c3ccccc3[C@]34CCN5C(=O)C(=O)[C@@H](C[C@H]53)[C@@H]1[C@H]24 103888243 SOQOBVXYWQJKPR-XTJTZWBZSA-N 396.399 0.333 0 40 GCAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 244933184 CFLCBBJLVSZYTQ-VNQPRFMTSA-N 386.445 0.947 0 40 GCAB CCc1ncnc(O[C@H]2CCN(C(=O)CCn3ccc(O)nc3=O)C2)c1F 253537706 MWNBYLANTHDDGC-NSHDSACASA-N 377.376 0.510 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)Cn3ccnc3C)CC2)CC1 257284589 PDGWWNMECGYSKT-FQEVSTJZSA-N 391.516 0.536 0 40 GCAB Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 517965278 YOCZGVFSJMASPL-TTZDDIAXSA-N 399.517 0.515 0 40 GCAB O=C(NC1CCCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@H]21 585109915 LAFLWYJUSQPKKR-SSDMNJCBSA-N 390.463 0.898 0 40 GCAB O=C(NC[C@@H]1CCCO1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007699 CNLOXGYFQSUXDX-HNNXBMFYSA-N 399.447 0.978 0 40 GCAB COCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 4848297 KTCVBLHCGVCKDG-HNNXBMFYSA-N 392.456 0.571 0 40 GCAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 6350679 CGVDGYLALWKLAD-UHFFFAOYSA-N 386.470 0.629 0 40 GCAB O=C(CSc1nnnn1C[C@@H]1CCCO1)NCc1ccc2c(c1)OCO2 8327263 ZRNFLNCRJNEBFO-LBPRGKRZSA-N 377.426 0.989 0 40 GCAB O=C(C(=O)N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)N1CCOCC1 8746536 RSSQWYOYCSDSGR-UHFFFAOYSA-N 397.435 0.220 0 40 GCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O 8769378 JRRSBEFCKROGRV-UHFFFAOYSA-N 395.437 0.553 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC[C@@H]1CCCO1 20769006 LVLMIHHRZVMYOM-HNNXBMFYSA-N 395.481 0.383 0 40 GCAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC(C(=O)NCCCO)CC1 32928696 HRZSPRBIUUHQJG-AWEZNQCLSA-N 391.468 0.631 0 40 GCAB CN1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 72241374 KGYPWDFQTXTEHA-SJORKVTESA-N 381.860 0.687 0 40 GCAB Cc1nnc(NC(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)s1 77154219 RUGBGWBOLFBEOI-UHFFFAOYSA-N 377.474 0.895 0 40 GCAB CN(C(=O)CN1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CCCc2ccccc21 95948730 CVNQUTFPVKCJCW-SFHVURJKSA-N 394.541 0.946 0 40 GCAB O=C1[C@H](N2CCN(C(=O)N3CCOCC3)CC2)CCCN1CC(F)(F)F 95972321 XQAYWUZKDIBAAG-CYBMUJFWSA-N 378.395 0.610 0 40 GCAB Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)ccc1F 106945870 WXAIUOBJWPBQSH-LBPRGKRZSA-N 376.440 0.867 0 40 GCAB O=C(NC[C@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1)c1nc2ccccc2[nH]1 107430487 UOWVJNMMOIJVAV-CCWDJLKJSA-N 383.408 0.664 0 40 GCAB biogenic,in-vitro CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222967325 IECUKUKHMDMJEJ-ZDUSSCGKSA-N 385.486 0.440 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cccnn3)C2)cc1 225459187 VNDQBNMZCIAIMU-CQSZACIVSA-N 392.437 0.573 0 40 GCAB Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNC4CCCC4)[C@@H](O)[C@H]3O2)cn1 225517513 HILKNAWDSMCVDI-SGFSRKTBSA-N 378.473 0.244 0 40 GCAB biogenic,in-vitro CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@H](CO)[C@H](O)[C@@H]1OC(C)=O 242425492 BLLDREJCXJOWEZ-LCWAXJCOSA-N 389.404 0.733 0 40 GCAB COc1cccc(CC(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c1 247531109 OSXSODWJGJNNPE-HNNXBMFYSA-N 378.454 0.567 0 40 GCAB Cn1ccc(C(=O)N2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)n1 248115484 ILSQIRUPVAFKOO-ZDUSSCGKSA-N 376.438 0.523 0 40 GCAB Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3nncn3C)C2)cc1Cl 252490128 KJWJYBOSGFIBLK-UHFFFAOYSA-N 390.874 0.624 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ccnc(C)n3)CC2)CC1 257306371 SUAZJWFCOFEUOJ-FQEVSTJZSA-N 389.500 0.743 0 40 GCAB O=C(CN1CCN(Cc2ncccc2Cl)CC1)N[C@H]1CCS(=O)(=O)C1 528415011 BBRWEAZIZAVLSO-ZDUSSCGKSA-N 386.905 0.156 0 40 GCAB CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)CC1 565959133 JQVNUROVLLKAKY-QGZVFWFLSA-N 396.495 0.790 0 40 GCAB O=S1(=O)CC[C@H](NN(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)C1 575422373 VDTIWKZFARMBKO-LSDHHAIUSA-N 376.475 0.507 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1 575608647 WXEOVYRNRHCOFT-UHFFFAOYSA-N 393.473 0.441 0 40 GCAB C[C@H](C(=O)N1CCN(c2ccc3nncn3n2)CC1)n1nc(C2CC2)ccc1=O 575621192 WFPHWZCORLUHQI-CYBMUJFWSA-N 394.439 0.468 0 40 GCAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(Cn2cncn2)C1 952985886 BLIYYTRQTXIMKU-UHFFFAOYSA-N 391.453 0.071 0 40 GCAB O=C(C1CC(F)(F)C1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243081 IFKIMNIQYFDCMX-ZDUSSCGKSA-N 378.441 0.522 0 40 GCAB O=C(Nc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243261 VZPCOVWMSIQEAI-HNNXBMFYSA-N 376.438 0.983 0 40 GCAB CCCN(C(=O)COC(=O)c1nc2nccc(C)n2n1)[C@@H]1CCS(=O)(=O)C1 9963830 PTSYRJNWMTZDJS-GFCCVEGCSA-N 395.441 0.015 0 40 GCAB CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 12770003 HHNYWDISQKFYOL-UHFFFAOYSA-N 396.469 0.041 0 40 GCAB Cc1ccc(=O)n(CC2(O)CCN(Cc3ccnc(N4CCCC4)n3)CC2)n1 13226929 FWHMBNFRQQPEJU-UHFFFAOYSA-N 384.484 0.969 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21 14339560 KHZHJWRXTQJWTR-UHFFFAOYSA-N 397.435 0.833 0 40 GCAB C[C@H](C(=O)NCCc1nc(-c2ccccc2)ncc1C(N)=O)N1CCCC1=O 19697266 BCBKAMABOULARZ-CYBMUJFWSA-N 381.436 0.912 0 40 GCAB CS(=O)(=O)Nc1cccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 23100232 RESTXRWJVSLMGL-UHFFFAOYSA-N 388.405 0.700 0 40 GCAB Cc1csc2nc(CN3CCN(C(=O)N4CCOCC4)CC3)cc(=O)n12 23669615 ZPZIZUDKKXISGN-UHFFFAOYSA-N 377.470 0.634 0 40 GCAB O=C(c1ccc(-n2cncn2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24002115 HXRKZBUFEFAUFC-INIZCTEOSA-N 375.454 0.212 0 40 GCAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCN(c2ccc(F)cc2)CC1 57936498 GXPXJKFGSOSYES-UHFFFAOYSA-N 390.415 0.575 0 40 GCAB C[C@H]1Oc2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2NC1=O 58440852 RGJUIFYKMXCDCP-PWSUYJOCSA-N 382.442 0.952 0 40 GCAB COc1cnc(C2(O)CCN(C(=O)CCn3ccnc3C)CC2)c(OC)n1 72342911 QNXQRKFRFBWLLC-UHFFFAOYSA-N 375.429 0.899 0 40 GCAB COC(=O)[C@@H](O)CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 95452538 OTVXHCMJEJDTSA-QMMMGPOBSA-N 396.215 0.033 0 40 GCAB CC(C)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n(C)n1 95998993 XXQGSBBNWSSLJP-CQSZACIVSA-N 384.502 0.810 0 40 GCAB CCN1Cc2c(C(=O)N3CCC(O)CC3)ncn2-c2ccccc2S1(=O)=O 96147344 VXXHAOPTPUJKFY-UHFFFAOYSA-N 390.465 0.993 0 40 GCAB O=S(=O)(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 97165302 JJNXSRNUXNKLPS-UHFFFAOYSA-N 383.451 0.903 0 40 GCAB O=C(COc1ccc(-n2cccn2)nn1)NCc1ccnc(N2CCCC2)n1 224204693 BBAGRPRVMSSQMU-UHFFFAOYSA-N 380.412 0.748 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1 575421056 MRFUOPRJMJBGQR-HUUCEWRRSA-N 376.500 0.435 0 40 GCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 575423718 QUZZKAPYKVOOAS-RYUDHWBXSA-N 398.300 0.618 0 40 GCAB CC(C)N1CCN(C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)CC1 585283139 CHHRNIWWRNKVMU-RBBKRZOGSA-N 389.540 0.970 0 40 GCAB CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)O)N2c2cnn(C)c2)CC1 630654994 HYXOCUVKRLHKTG-CVEARBPZSA-N 391.472 0.559 0 40 GCAB O=C([C@H]1CCOC1)N1CCc2ccc(OCCN3CCOCC3)nc2CC1 1565547068 JYIVHHUJSCIPCY-KRWDZBQOSA-N 375.469 0.756 0 40 GCAB Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 1630042472 NIAHGHQIIFQUIS-GOEBONIOSA-N 384.440 0.595 0 40 GCAB CCS(=O)(=O)N1C[C@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@@H]2C1 2086896570 SFXVCEIDPVJNGB-HUUCEWRRSA-N 376.486 0.997 0 40 GCAB CN(CCCC(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1ccc(F)cc1 8279601 LFXKPZZDOHLLLU-ZDUSSCGKSA-N 385.461 0.950 0 40 GCAB COc1cccc(NC(=O)CN(C)C(=O)Cn2nnc3ccccc3c2=O)c1 8776933 LHXQQODZRWAJAU-UHFFFAOYSA-N 381.392 0.897 0 40 GCAB CN1C(=O)NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C1=O 9359996 OVKWEUHSOOQLRA-XCLFUZPHSA-N 395.419 0.694 0 40 GCAB CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9570268 AOQCDDOUQMFYSU-UHFFFAOYSA-N 379.479 0.217 0 40 GCAB CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570285 YQOGAMXQUWTBLW-UHFFFAOYSA-N 375.516 0.468 0 40 GCAB COC(=O)C1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 13670793 WQRNCQRHEBCVOR-UHFFFAOYSA-N 398.481 0.868 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024878 IXUGXRFAPZBLMB-ZHUCMLQESA-N 375.400 0.725 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2(O)CCCCC2)cc1 23077108 BXLZRDQPVSHJRN-UHFFFAOYSA-N 384.454 0.231 0 40 GCAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 25051799 RYCQKQLQNBEHAO-LBPRGKRZSA-N 388.417 0.285 0 40 GCAB CN(C)c1nc(N)nc(CN(Cc2nc(N)nc(N(C)C)n2)C(C)(C)C)n1 57383533 RUVJIXLMWOHCSH-UHFFFAOYSA-N 375.485 0.154 0 40 GCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1=O 225384579 BYSAPGNQXVWRCP-WBVHZDCISA-N 375.444 0.984 0 40 GCAB biogenic,in-vitro O=C(NCc1nc2ccccc2[nH]1)C1CN(c2cc(-n3cncn3)ncn2)C1 575609800 QEBDTCFEWHIMOC-UHFFFAOYSA-N 375.396 0.686 0 40 GCAB Cn1nc2c(c1CN1CCN(c3ccc(N4CCOCC4)nn3)CC1)CCC2 2087131474 RWXAOLOSDAMBTB-UHFFFAOYSA-N 383.500 0.858 0 40 GCAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O 2971779 TVQZVVDUHQQRGG-UHFFFAOYSA-N 378.454 0.387 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1 3317267 ZJUCFGMMXJQWBP-UHFFFAOYSA-N 384.454 0.733 0 40 GCAB COc1cccc(C(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 6084014 ICPYTBFYNCMQLA-UHFFFAOYSA-N 397.387 0.954 0 40 GCAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 6453564 XVUAXZTXWVBBSS-QMMMGPOBSA-N 376.818 0.391 0 40 GCAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 12188198 AVCVCNZAPPIFFK-KFWWJZLASA-N 392.543 0.472 0 40 GCAB CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccccc1N1CCOCC1 12553363 OYIMTQINOUERPO-LJQANCHMSA-N 395.525 0.648 0 40 GCAB COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(Br)s1 12857224 BQWBYTSNWHCMAS-UHFFFAOYSA-N 386.245 0.847 0 40 GCAB CCN1C[C@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O 19526862 IHWZIDVXLFRRMK-LSDHHAIUSA-N 385.468 0.566 0 40 GCAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)Cn3cccnc3=O)C2)n1 19739092 XDIYPHXIFISAMU-QGZVFWFLSA-N 396.495 0.715 0 40 GCAB CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 19830868 XSBGTWOLYHUERP-CHWSQXEVSA-N 380.422 0.729 0 40 GCAB biogenic CN(C)S(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 26149956 OQPKQPCZBPITDR-UHFFFAOYSA-N 398.485 0.134 0 40 GCAB Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 40069475 DETLETKKTIYBLH-UHFFFAOYSA-N 377.408 0.964 0 40 GCAB O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40088546 CUDUVTZKMWCPNR-CQSZACIVSA-N 399.538 0.447 0 40 GCAB O=C(Cc1cnn(-c2ccccc2)c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 40094550 URMNSMQTFDVOIS-HNNXBMFYSA-N 390.465 0.224 0 40 GCAB CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 52854655 VKMZJRYMPASQOR-UHFFFAOYSA-N 381.498 0.818 0 40 GCAB O=C(COc1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 58223317 PPNDUESTCROJIQ-UHFFFAOYSA-N 377.372 0.024 0 40 GCAB Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NCCc3c[nH]c4ccccc34)nc21 79189126 GGPKTSNLTKASRC-UHFFFAOYSA-N 380.408 0.723 0 40 GCAB biogenic O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)NCCN2CCOCC2)C1 95999819 UDXHJCNVAVRHMV-KRWDZBQOSA-N 381.498 0.543 0 40 GCAB Cc1cn([C@H]2CN(C(=O)c3cccc(Cn4ccnc4)c3)C[C@@H]2O)c(O)nc1=O 257266444 MDAQMVSCGGAIMB-IRXDYDNUSA-N 395.419 0.560 0 40 GCAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704615 QOJULVVEMVXUMF-OCCSQVGLSA-N 384.454 0.908 0 40 GCAB Cn1cnc([C@@H]2CN(S(=O)(=O)c3cncc(F)c3)C[C@H]2C(=O)NC2CC2)c1 1614996022 VWQDQUNAWFFEAB-HUUCEWRRSA-N 393.444 0.637 0 40 GCAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)nn1 1888913863 AFRWYKXYYLIMQY-STQMWFEESA-N 380.412 0.521 0 40 GCAB CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C(/C)Cl)CC1 2395366 MMQIWFUUNQFBBI-SDQBBNPISA-N 380.880 0.718 0 40 GCAB NC(=O)C(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1 4235875 GWRFZAKFEHQSHA-CQSZACIVSA-N 384.417 0.506 0 40 GCAB biogenic,in-vitro CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479122 BUVOZPSKLZNFPB-UHFFFAOYSA-N 389.799 0.915 0 40 GCAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(OC)c1OC)C1=C(COC1=O)N2 4495939 XHRATDQZAUUCQO-GFCCVEGCSA-N 385.376 0.942 0 40 GCAB Cc1nc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)sc1C(=O)OC(C)C 8997717 FVVRSFPGNPIFIX-UHFFFAOYSA-N 385.427 0.519 0 40 GCAB CCOC(=O)C1=C(CN2C[C@@H](C(=O)OC)Oc3ccccc32)NC(=O)N[C@@H]1C 12539795 PNVSLMPJVSHLTF-ABAIWWIYSA-N 389.408 0.946 0 40 GCAB CNc1nc(C2CCNCC2)nc2c1CCN(CC(=O)N[C@H](C)COC)C2 19711353 PCUBTECXSPCPCR-CYBMUJFWSA-N 376.505 0.495 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1 20745597 UDUVFKIPANWOPK-HNNXBMFYSA-N 382.420 0.989 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC(C(N)=O)CC1 21847315 JCQIPCSTMOPKMB-CYBMUJFWSA-N 396.513 0.770 0 40 GCAB COc1cc(CNCCNC[C@H](C)O)cc(Br)c1OCC(N)=O 22075594 RDIGADSKUQOMNQ-JTQLQIEISA-N 390.278 0.382 0 40 GCAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1=O 24019371 MRWFYUFRLUYGIF-UHFFFAOYSA-N 398.391 0.205 0 40 GCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 28026413 XQVOITKYTKEIHB-IUODEOHRSA-N 379.438 0.619 0 40 GCAB CCc1n[nH]c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1C(=O)OC 33256071 TXMFYNLCPDZNIE-UHFFFAOYSA-N 396.425 0.498 0 40 GCAB COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1N1CCCCS1(=O)=O 36354269 ZFZVZIGLVPELRA-UHFFFAOYSA-N 398.485 0.242 0 40 GCAB C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 37477412 VEKVTCAWOODBCE-GFCCVEGCSA-N 384.433 0.072 0 40 GCAB CC(=O)Nc1cccc(NC(=O)C[C@H](CN2CCN(C(C)=O)CC2)C(=O)O)c1 72406397 LURWRWSOTWUXQV-OAHLLOKOSA-N 390.440 0.839 0 40 GCAB CN(C)C(=O)[C@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 95349247 BSTWENNYPYPAFQ-HUUCEWRRSA-N 375.404 0.325 0 40 GCAB CCOc1ccc(N2C(=O)[C@H]3C(C(=O)OC)=NN(CCC(C)=O)[C@H]3C2=O)cc1 100939254 JMFXDEJXYIDWBH-GOEBONIOSA-N 387.392 0.767 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)[C@@H]1O 257317841 VLKIWXYSVQKXNB-QHSBEEBCSA-N 383.412 0.118 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1 408611534 XJEKVLPNUDKDAW-UHFFFAOYSA-N 379.438 0.702 0 40 GCAB O=C(Cc1cccc(F)c1F)N1C[C@H]2ON=C(C(=O)N3CCOCC3)[C@H]2C1 1565549647 XUVUNLGQSWWKML-GXTWGEPZSA-N 379.363 0.579 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)N5CCCC5)C[C@H]4C3)n1)CCC2 1888897132 LAIBATKJQRLYLP-GASCZTMLSA-N 377.514 0.982 0 40 GCAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(OC)cc1OC)C1=C(COC1=O)N2 4495943 WXNCLZJOXIJVKB-CYBMUJFWSA-N 385.376 0.942 0 40 GCAB CCNC(=O)COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 5504710 INBBCELEJAHTGM-UHFFFAOYSA-N 380.397 0.226 0 40 GCAB Nc1ncc(CNc2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc2)c(N)n1 8627314 PQXFYWOIMDJZMU-GFCCVEGCSA-N 388.384 0.301 0 40 GCAB Cn1cc(S(=O)(=O)NCCSCc2cccs2)c(=O)n(C)c1=O 8746155 XLRZRZGWCTXCAK-UHFFFAOYSA-N 375.497 0.357 0 40 GCAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCC(OC)OC)[C@H]4C2=O)cc1 9135008 OFHUHVDPVRUHFV-HSSOGYSNSA-N 388.420 0.717 0 40 GCAB Cc1ccc2nc(COC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc(=O)n2c1 13098838 OKOFIGHBOSVBOJ-HUUCEWRRSA-N 381.388 0.997 0 40 GCAB O=C(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 14586321 LDFVROHMRYBVGB-XSLAGTTESA-N 390.388 0.144 0 40 GCAB biogenic O=C1CCCN1CCOCC(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19291938 DAOMNJKASSCWKO-OAHLLOKOSA-N 388.468 0.535 0 40 GCAB C[C@@H](CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)NC(=O)c1ccccc1 23298691 OCLPQCDUQAKKBK-KRWDZBQOSA-N 386.496 0.962 0 40 GCAB O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32873611 QXHXRGKDRGHBCR-LBPRGKRZSA-N 383.408 0.665 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 32882405 BCVCDXSPYKISEP-UHFFFAOYSA-N 377.898 0.726 0 40 GCAB C[C@@H](NC(=O)NCCc1nccn1C)c1ccc(-n2cc(C(N)=O)nn2)cc1 58244569 ZZACXKKYFNUAHQ-GFCCVEGCSA-N 382.428 0.703 0 40 GCAB O=C(CS(=O)(=O)c1nc(CCC2CCCC2)n[nH]1)N[C@@H]1CCCCNC1=O 69300341 OLTRPRRYWYQJEQ-CYBMUJFWSA-N 397.501 0.486 0 40 GCAB O=C1CN(C(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CCN1 72327554 ZOROSNQFXUFWOD-HXUWFJFHSA-N 385.420 0.362 0 40 GCAB O=C(NCC1(O)CCC2(CC1)OCCO2)c1ccc(N2CCNC2=O)cc1 78968589 BMJMVBLLPYVLDP-UHFFFAOYSA-N 375.425 0.994 0 40 GCAB Cc1cc(C)nc(NCCCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 79485529 IPENKKCYRTVAOV-MRXNPFEDSA-N 395.529 0.617 0 40 GCAB CCCC(=O)N1CCC[C@H]1C(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 95455950 BFBQPXXDZHXPMP-AWEZNQCLSA-N 397.497 0.792 0 40 GCAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 103136854 KWQAKLHQRDNCNM-CHWSQXEVSA-N 383.470 0.936 0 40 GCAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CO)O[C@H]1OCc1ccccc1 247952451 RHHNTCYTVQANIZ-MTHXSQLBSA-N 395.408 0.289 0 40 GCAB biogenic Cc1cc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3C2)nc(N)n1 257257035 KNVUANIDGQBNIV-HZPDHXFCSA-N 385.399 0.758 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3coc(C)n3)CC2)CC1 257299477 RQFIRHBWVAFPEH-LJQANCHMSA-N 378.473 0.941 0 40 GCAB CCCCC[C@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 514288248 YAZBAPFSBSLGJA-DNRMPTOCSA-N 376.446 0.238 0 40 GCAB biogenic,in-vitro Cc1noc(CC(=O)N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)n1 585108910 CRSXMEVVOOEHOO-ARFHVFGLSA-N 385.424 0.638 0 40 GCAB CN1CCN(C(=O)[C@@H]2CN(C(=O)C3CC(F)(F)C3)Cc3ncnn3C2)CC1 1565549664 YKJUSWHUTVLNSN-CYBMUJFWSA-N 382.415 0.056 0 40 GCAB CC(=O)N1CC(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)c3c(C)cnn3C)C2)C1 1614423255 UZDMFMJCLDQSSF-RDJZCZTQSA-N 387.484 0.660 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccc(F)c(F)c1 2332242049 ZQKASWVABDXHED-MPGHIAIKSA-N 394.422 0.391 0 40 GCAB COC(=O)CNC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 5000041 JZPBMAWYGZJOIC-UHFFFAOYSA-N 395.415 0.695 0 40 GCAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCC(=O)O 5488851 NCBVRZQGJZKPJK-LBPRGKRZSA-N 391.453 0.888 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)c(F)c1 20567984 IBYXCLGKKKFVSV-UHFFFAOYSA-N 377.413 0.179 0 40 GCAB COc1ccc(OCCN2CCN(C(=O)CCSCC(N)=O)CC2)cc1 23082058 JNSFMKMMAMANGV-UHFFFAOYSA-N 381.498 0.827 0 40 GCAB Cn1cc(C(=O)N2CCN(CCO)CC2)c(-c2ccc3c(c2)OCCCO3)n1 23466484 OMLUNBPSJGBOHI-UHFFFAOYSA-N 386.452 0.999 0 40 GCAB NC(=O)C1CCN(C(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 32095147 ITMBVNKRDXGIQZ-CYBMUJFWSA-N 390.415 0.019 0 40 GCAB C[C@@H](NC(=O)CCN1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 32879833 ZBEVZQGZOQIYGV-GOSISDBHSA-N 388.512 0.730 0 40 GCAB Nc1c(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c(=O)n1C1CC1 40086070 LUSIFCMEHHOLAI-HNNXBMFYSA-N 388.399 0.849 0 40 GCAB CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1 47497619 RAINUIAJWISWJG-UHFFFAOYSA-N 379.442 0.503 0 40 GCAB Cc1ccc(NC(=O)NC[C@H]2CCCN([C@@H]3CS(=O)(=O)C[C@H]3O)C2)cc1 84155196 YPVYBFLEBGMAGZ-DJIMGWMZSA-N 381.498 0.986 0 40 GCAB CC(=O)[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1 263583678 STLFWKVWMFPGFQ-ZWUHOBOKSA-N 376.434 0.991 0 40 GCAB CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)CC1 585281487 JWTFCURLCYFXOX-OAQYLSRUSA-N 389.496 0.972 0 40 GCAB Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C[S@@](C)=O)c1ccccc1 597300414 JALFPAYKGPCJRP-YMXBGEKHSA-N 397.478 0.091 0 40 GCAB COc1cccc(CN(CCC(C)C)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1 643912900 CPPWHWWTEMTABI-OMQSBVIBSA-N 383.485 0.386 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C(C)(C)C)nn2)cc1 1549162735 VUAWXDBJAIVHMS-ZMSDIMECSA-N 394.497 0.991 0 40 GCAB CCOC(=O)C1CCN(C(=O)Cc2csc(NS(C)(=O)=O)n2)CC1 9421841 ILZCABOQRCXHBV-UHFFFAOYSA-N 375.472 0.859 0 40 GCAB O=C(CNC(=O)C(=O)NCCc1cccs1)Nc1ccc2c(c1)OCO2 9691097 QLIZACPRBZKIQL-UHFFFAOYSA-N 375.406 0.890 0 40 GCAB O=C(NCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1ccco1 12748705 MGYLCMOGHWHIBR-KRWDZBQOSA-N 399.403 0.520 0 40 GCAB O=C(CCNC(=O)c1ccco1)OCCN1C(=O)c2ccccc2S1(=O)=O 12751420 WAGSOIBWXHYJMC-UHFFFAOYSA-N 392.389 0.787 0 40 GCAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC2(CC1)NC(=O)NC2=O 24014256 TXXCXDTXNPYWAJ-UHFFFAOYSA-N 375.381 0.477 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)no1 29599881 VOXPFVLMCVCBQE-ZDUSSCGKSA-N 375.429 0.077 0 40 GCAB COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCOCC3)CC[C@@H]2O)cc1 30879372 PLLPDAILPVSTLR-FHWLQOOXSA-N 378.469 0.942 0 40 GCAB biogenic,in-vitro COC(=O)CN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 32641284 XSWPEWYBXIQZRE-ZDUSSCGKSA-N 385.438 0.435 0 40 GCAB Cn1c(COC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc(=O)n(C)c1=O 32865246 OYNSDBJGLNGMBP-UHFFFAOYSA-N 388.355 0.949 0 40 GCAB Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 32894915 QCUZMYSKVWFKKJ-HZPDHXFCSA-N 396.465 0.742 0 40 GCAB O=C(Cc1cccc(F)c1)NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 40143648 NFRWWTWIYYKKSP-UHFFFAOYSA-N 376.388 0.770 0 40 GCAB NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399333 JQFGILJZVQZXCH-QMMMGPOBSA-N 376.760 0.788 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 72335160 JDKVDNFYOFYKKM-CVEARBPZSA-N 395.460 0.764 0 40 GCAB COc1ccc(CNC(=O)Cn2nc(N3CCOCC3)ccc2=O)cc1OC 72402537 PGADIAYCODLNAK-UHFFFAOYSA-N 388.424 0.414 0 40 GCAB CCN1CCN(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)C(=O)C1=O 618255731 XBIXKWZUXAXEOF-HXUWFJFHSA-N 389.452 0.701 0 40 GCAB COCCN1C[C@]2(COCC1=O)CN(C(=O)c1ccc(C)o1)C[C@H]2N(C)C 1565547310 IEUCUFGGXBCEMP-VQIMIIECSA-N 379.457 0.466 0 40 GCAB CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@@]4(C)CC=CCC4)C[C@@H](O3)[C@@H]2S1(=O)=O 2055745742 XNXXGTUFXQUHAB-VDCDIQELSA-N 397.541 0.534 0 40 GCAB Nc1cc(N)nc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 6977933 LLFRAVWVSIEYNF-NSHDSACASA-N 385.515 0.691 0 40 GCAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCNC1=O 8325384 YHBNDMQFDBGRBE-UHFFFAOYSA-N 384.433 0.074 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 8876669 VLNLJRHWJBHYSH-UHFFFAOYSA-N 389.433 0.724 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@@H](c3ccco3)N2)CC1 10157575 ITQCDYZUDUJRAB-CHWSQXEVSA-N 378.385 0.370 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1C(N)=O 13986519 XZDKVNCBSSVCGW-ZDUSSCGKSA-N 380.470 0.313 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1 19705729 SNYLPKOLGRDUFK-OAHLLOKOSA-N 394.497 0.573 0 40 GCAB O=C1NC[C@@H](CCC(=O)N2CCCC2)N2C[C@@H](NCc3ccc(CO)o3)C[C@@H]12 22936700 GELUFBGSBZTFKW-DAYGRLMNSA-N 390.484 0.205 0 40 GCAB biogenic,in-vitro COc1cccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 26456109 HYTKTEXQWNYXPT-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)O)cc21 45795870 FQZAQUKLXZUMJQ-UHFFFAOYSA-N 377.216 0.721 0 40 GCAB C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 56871318 HRSGCYGUWHGOPY-LYHHMGRNSA-N 397.468 0.305 0 40 GCAB biogenic,in-vitro Nc1cc(-c2c[nH]nc2[C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1 72391967 PNDDQAFUAXNKLN-AWEZNQCLSA-N 378.458 0.768 0 40 GCAB COCCC(=O)N1CC[C@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244612 XJKAVNAWYBOVHY-LJQANCHMSA-N 376.457 0.658 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1C 225679628 SDBZRJXLFBBFJW-UHFFFAOYSA-N 399.494 0.974 0 40 GCAB Cc1cncc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)c1 306125009 CELVKJLCKBSDEB-HOTGVXAUSA-N 381.436 0.778 0 40 GCAB O=C(c1ccccn1)N1CCO[C@@H](Cn2nnc3c(N4CCCC4)ncnc32)C1 306126169 DOSULJWSLAYXIK-CQSZACIVSA-N 394.439 0.758 0 40 GCAB Cc1c(C)[n+]([O-])c([C@H](C2C(=O)NC(=O)NC2=O)[C@@H]2CC=CCC2)n1CCO 524734545 PTQODJUXHYLWLY-OLZOCXBDSA-N 376.413 0.153 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)CC1 575414034 PIPZQBWOWBJLGH-QGZVFWFLSA-N 382.438 0.896 0 40 GCAB CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 1565547894 YCGIHDJWQWVEHD-LJQANCHMSA-N 376.457 0.383 0 40 GCAB CC(C)(C)n1nnc(CNC(=O)CSc2ccc(S(N)(=O)=O)cc2)n1 1628048901 HRELYWFYLROBKJ-UHFFFAOYSA-N 384.487 0.484 0 40 GCAB COC(=O)[C@H](NC(=O)[C@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 1590919 BMAULSIJZXQEMX-JKSUJKDBSA-N 382.372 0.674 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 3015991 MCVWZILMQPDBIV-UHFFFAOYSA-N 383.408 0.838 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)cc1 5258044 KPGBQWSHVNAQQD-OAHLLOKOSA-N 377.422 0.906 0 40 GCAB Cc1ccc(OC[C@H](O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)cc1 12232431 CSKIRMNFSLCSAV-LLVKDONJSA-N 376.438 0.471 0 40 GCAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12535755 FPHKYVOBXQAMIE-UHFFFAOYSA-N 393.806 0.885 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13040329 NUBAYZDPXBSMER-AWEZNQCLSA-N 397.497 0.679 0 40 GCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(-n2cnnn2)cc1 13987139 XAGBIAHLKCDYEA-UHFFFAOYSA-N 397.420 0.730 0 40 GCAB O=C(CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)Nc1ccc(N2CCCC2)c(F)c1 19293103 UTFOIQZCOLWHKE-GJZGRUSLSA-N 376.392 0.745 0 40 GCAB Cc1sc2ncn(CCC(=O)N[C@H](C)C(=O)N3CCOCC3)c(=O)c2c1C 58152069 OQRWUBZZEFZHRD-GFCCVEGCSA-N 392.481 0.828 0 40 GCAB CN1CCN(CCCNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 73445750 ORCDTLSNBSGZIV-QGZVFWFLSA-N 376.526 0.955 0 40 GCAB COC(=O)C[C@@H](Cc1ccccc1)NS(=O)(=O)CCCS(C)(=O)=O 79012828 LZKYIVOAILXZER-CQSZACIVSA-N 377.484 0.515 0 40 GCAB O=c1cc2c(nn1CN1CCN([C@@H]3CCS(=O)(=O)C3)CC1)CCCCC2 79495386 WFLVSRUSXDTIFM-MRXNPFEDSA-N 380.514 0.274 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)CCN3CCCC3)CC2)CC1 257292134 QKDFQHRGDIWABN-OAQYLSRUSA-N 394.560 0.816 0 40 GCAB Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 510604855 FFZQYEDFIORVBI-GFCCVEGCSA-N 375.410 0.306 0 40 GCAB Cc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 585291064 JCDXMKWDIPNMEG-MOPGFXCFSA-N 376.478 0.881 0 40 GCAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cn(C)c(C)n3)CC1)CC(=O)N2C 1772596198 UMDGNVHAEXEOEC-UHFFFAOYSA-N 392.485 0.780 0 40 GCAB Cn1c(N2C[C@@H]3CN(c4ncnc5ccsc45)C[C@@H]3C2)cc(=O)n(C)c1=O 1888876291 JSLHOOCODRJVTF-TXEJJXNPSA-N 384.465 0.661 0 40 GCAB CCn1cc(C(=O)NCCO)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 1827324 PCUFFKJJPLNVDD-UHFFFAOYSA-N 376.432 0.634 0 40 GCAB CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 3593187 FKLLYOFOAPPZPL-CQSZACIVSA-N 383.202 0.672 0 40 GCAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)C1CCN(S(C)(=O)=O)CC1 12141985 XQJQFDNFOLGTRA-GFCCVEGCSA-N 381.454 0.771 0 40 GCAB COC(=O)[C@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@H]1c1ccc(F)cc1 12157184 OIAUAGOGXXMFCT-RDBSUJKOSA-N 377.372 0.529 0 40 GCAB C[C@@H](Oc1ccccc1)C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 12525693 NOSIYUKFPWWXMQ-CYBMUJFWSA-N 386.408 0.835 0 40 GCAB CC1CCN(c2nc([C@H](C)NC(=O)[C@@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 19496992 KRVHYVRLFMFMQY-QWHCGFSZSA-N 382.486 0.618 0 40 GCAB CCCCc1noc(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)n1 22762267 IZAMLXQEJRTKQU-UHFFFAOYSA-N 397.233 0.970 0 40 GCAB Cc1nn(C)c(C)c1CC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24778764 KOLNFVVGTBVAAR-UHFFFAOYSA-N 380.456 0.904 0 40 GCAB CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772876 ZQQQLPGYNWQHJW-ZDUSSCGKSA-N 395.524 0.724 0 40 GCAB O=C(CNC(=O)Cn1cnc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 36366439 BABVHCFUKRAYQP-UHFFFAOYSA-N 376.376 0.450 0 40 GCAB CN(CC(=O)NC1CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 95999864 BZXXLDLDHMLQOE-MRXNPFEDSA-N 379.482 0.831 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 225516369 NHHSPTZBHNNUHT-GRLWTPEZSA-N 399.488 0.057 0 40 GCAB biogenic,in-vitro O=C(c1cccc2c1OCCO2)N1CCN(C2CCS(=O)(=O)CC2)CC1 252489708 JXUQKAAGEWQVGK-UHFFFAOYSA-N 380.466 0.793 0 40 GCAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1C[C@H]2CCCN2C[C@@H]1CCO 257255720 KIPHIYDSGLRYDV-NEPJUHHUSA-N 394.453 0.261 0 40 GCAB CNC(=O)c1cnn2c(C3CCN(C(=O)[C@@H]4CCCN4C(C)=O)CC3)ccnc12 257275897 NRLHIPDDCJRDFS-KRWDZBQOSA-N 398.467 0.806 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2CCOC2)C3)n1 306144685 ZMCGTTLAIMYCHR-KBPBESRZSA-N 381.454 0.216 0 40 GCAB O=S1(=O)CC[C@H](N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2)C1 575420335 AWFXEFMKLMOGLW-STQMWFEESA-N 393.508 0.052 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)NCCn2nc(C3CC3)ccc2=O)c1 575619755 LBZRIAVWIXVXGP-UHFFFAOYSA-N 377.422 0.886 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cc(F)cc(F)c2)C1 585289870 LQOWBEGAEIKBEH-MSOLQXFVSA-N 398.431 0.851 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)c5cc(C)on5)C[C@H]4C3)ncnc21 1888916506 ZOEIETQEEPTLAC-ZIAGYGMSSA-N 397.439 0.978 0 40 GCAB CCOCCn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)cn23)n(C)c1=O 4314225 HEBHJKXDQOJOJC-ZDUSSCGKSA-N 375.429 0.673 0 40 GCAB Cn1c(Br)nc2c1c(=O)n(C[C@H](O)c1ccccc1)c(=O)n2C 4945665 CCSABJWKUBKTGH-JTQLQIEISA-N 379.214 0.930 0 40 GCAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 5450838 UXAGKBBXYXLRHH-MRVPVSSYSA-N 394.858 0.593 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O 6626873 VTBLTMVPOJQBAY-UHFFFAOYSA-N 378.404 0.890 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 72335130 WYPANGDBBIBPBM-OLZOCXBDSA-N 398.876 0.995 0 40 GCAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 95407668 NONKPKVYZBXMIR-KBPBESRZSA-N 376.388 0.343 0 40 GCAB NC(=O)[C@@H]1Cc2ccccc2CN1CCOc1ccc(S(N)(=O)=O)cc1 97497951 NHGJUKYDHSDTJP-KRWDZBQOSA-N 375.450 0.625 0 40 GCAB Cn1c(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)cc(=O)n(C)c1=O 100787030 CWIGBAKVYNLOEB-UHFFFAOYSA-N 390.415 0.705 0 40 GCAB Cn1cc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 102247916 HBLOJSVIZRGKLI-XUXIUFHCSA-N 388.380 0.760 0 40 GCAB CN(c1cc(=O)n(C)c(O)n1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593448 DEJDCTPBHWRUDU-UHFFFAOYSA-N 382.428 0.516 0 40 GCAB O=C1N[C@H](CC(=O)N2CCN(Cc3ccccn3)CC2)C(=O)Nc2ccccc21 604404262 ALBLMGOOHQKWEI-GOSISDBHSA-N 393.447 0.867 0 40 GCAB biogenic Cc1nc(SCC(=O)N2CCC(C)CC2)c2c(=O)n(C)c(=O)n(C)c2n1 4138745 OUYMJBJOAZJMMB-UHFFFAOYSA-N 377.470 0.686 0 40 GCAB O=C(O)CNC(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 8738065 BIJZKTBZOFMMTH-AAEUAGOBSA-N 385.873 0.793 0 40 GCAB biogenic C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 8764406 WFEIXVGQSZGHJB-HNNXBMFYSA-N 397.479 0.957 0 40 GCAB biogenic C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 9051504 NAHCIVJXWUXBJL-LURJTMIESA-N 382.471 0.456 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)cnc21 12817485 CVINQPXISVIKFI-ZDUSSCGKSA-N 393.469 0.088 0 40 GCAB COC[C@H](O)CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12900229 IOSMRLYTUVEKOG-CYBMUJFWSA-N 375.425 0.625 0 40 GCAB biogenic Cn1cc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1C(N)=O 29406497 FUCBUJHWBZZZIU-UHFFFAOYSA-N 389.437 0.776 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 48280197 NHJWTRLVJOUALP-VXGBXAGGSA-N 387.440 0.952 0 40 GCAB O=C(NCCN1CCS(=O)(=O)CC1)c1nc(N2CCCC2)ncc1Cl 58161493 NRKZUWZJRGOYSQ-UHFFFAOYSA-N 387.893 0.190 0 40 GCAB Cn1cc(CN2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccccc2)S4(=O)=O)O3)cn1 96087822 FIGIMACJIXDNNP-QYZOEREBSA-N 388.493 0.978 0 40 GCAB COc1ccc2nnc(CCC(=O)N3CCN(CCc4ccncc4)CC3)n2n1 96230763 WQXVKUHGYVURGP-UHFFFAOYSA-N 395.467 0.847 0 40 GCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 97013955 XQMHNZCYLKHGDT-AWEZNQCLSA-N 375.454 0.940 0 40 GCAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 222557789 XSAAIZSBBFIVNW-DOMZBBRYSA-N 382.438 0.625 0 40 GCAB CNCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257237500 HGUPEGXWBBAXLA-ONTIZHBOSA-N 388.556 0.811 0 40 GCAB Cc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C2)cc1C 262892834 HALPOIXSXWCBQS-OAHLLOKOSA-N 384.454 0.491 0 40 GCAB C[C@@]1(C[C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[nH]2)NC(=O)NC1=O 502124027 NGSVFWDPWYPDOY-CPFSXVBKSA-N 389.338 0.486 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)nc(N(C)C)n1 575605487 BGRINIOQWUXNAT-UHFFFAOYSA-N 386.428 0.901 0 40 GCAB O=C(NC[C@@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cnccn1 585183674 ZWNMKHYDXZOHHO-FQEVSTJZSA-N 395.419 0.591 0 40 GCAB O=C(NC1CCC1)c1nnc2n1C[C@]1(CCN(C(=O)C3(F)CCC3)C1)OC2 1614936806 DYYZCVHTFVOQDF-QGZVFWFLSA-N 377.420 0.954 0 40 GCAB O=C(Cn1cnc2c(cnn2CCO)c1=O)Nc1ccc(Br)cc1 4940544 HGNRXIXWVLCDAN-UHFFFAOYSA-N 392.213 0.987 0 40 GCAB COc1c(C[C@@H]2CC(C(=O)N3CCOCC3)=NO2)cc2c(c1OC)OCO2 12418015 ZAHHDLHIJSIGHC-GFCCVEGCSA-N 378.381 0.979 0 40 GCAB CN1C[C@@H](NC(=O)COCC(=O)O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 12529969 VTZXSBHZFWOIIH-STQMWFEESA-N 378.360 0.838 0 40 GCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1C 13847625 NSHSUOOGPDMFTG-UHFFFAOYSA-N 388.453 0.952 0 40 GCAB CCCn1c(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)n[nH]c1=O 14021951 ZQSVSOFQEZZINI-UHFFFAOYSA-N 398.533 0.132 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCc2ccco2)cc1 14246571 AGRQKBYLEBJORU-OAHLLOKOSA-N 395.437 0.517 0 40 GCAB CN(C)Cc1cnc2ccnn2c1CC1CCN(S(=O)(=O)N(C)C)CC1 19704740 DPCZISJOAKSDPI-UHFFFAOYSA-N 380.518 0.852 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19705937 UHQYZAFTVFJJGW-OAHLLOKOSA-N 394.497 0.477 0 40 GCAB CN1CCC[C@@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 19750972 TWUONJCFKNTMMP-GOSISDBHSA-N 382.464 0.989 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 32957844 WYZCWUKFSABBJX-AWEZNQCLSA-N 388.511 0.536 0 40 GCAB O=C(c1cnccn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 72324220 GBWQBYADAOWQQX-AWEZNQCLSA-N 385.428 0.093 0 40 GCAB O=C(NCC(=O)N1CCCN(Cc2cscn2)CC1)c1ncccc1O 95441958 JAKAVQIEURKENR-UHFFFAOYSA-N 375.454 0.708 0 40 GCAB COc1ccc(OCc2cn(CC(=O)NCCC(=O)NC(C)C)nn2)cc1 227168162 WYYPNDVBZYJCPW-UHFFFAOYSA-N 375.429 0.897 0 40 GCAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nnc3c(O)nccn23)cc1 238918421 STKAKGOBAVPYRG-UHFFFAOYSA-N 389.437 0.871 0 40 GCAB Cn1nnnc1SCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390826679 OMCSPILQYJCHLV-ZDUSSCGKSA-N 399.473 0.830 0 40 GCAB Cc1ccc(OC[C@]2(O)COCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc1 585281869 DCMNHPCVPKYZDL-LJQANCHMSA-N 398.525 0.861 0 40 GCAB COc1ccc(CNC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O)cc1OC 7166805 YIPOZWREQXAYGB-CYBMUJFWSA-N 381.429 0.946 0 40 GCAB CCN(C(=O)COC(=O)c1c(C)nsc1NC)[C@H]1CCS(=O)(=O)C1 9050511 QKLPVFDXRLSIDH-JTQLQIEISA-N 375.472 0.686 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)c2nc3nc(C)cc(C)n3n2)c(=O)[nH]c1=O 9671490 OFKKZSPEMZFVLZ-UHFFFAOYSA-N 386.416 0.250 0 40 GCAB COC(=O)Nc1nc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 12440435 KQXQDLWKVHRIBK-UHFFFAOYSA-N 398.466 0.870 0 40 GCAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C 15866625 PAEZHPKCPXITCI-UHFFFAOYSA-N 390.465 0.940 0 40 GCAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCN1CCOCC1 20426337 HCKGCEXKIJEZAH-UHFFFAOYSA-N 388.468 0.699 0 40 GCAB CC1CCN(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)CC1 30520688 VMTHGDJXMJKKHE-UHFFFAOYSA-N 391.501 0.761 0 40 GCAB CC(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(S(C)(=O)=O)CC3)c[nH]c2c1 32092700 FIQXHABEXLQNRK-INIZCTEOSA-N 394.453 0.829 0 40 GCAB COc1ccc(-n2nnnc2SCC(=O)NCCCN2CCCC2=O)cc1 32941880 MDZKXMFURYKVBX-UHFFFAOYSA-N 390.469 0.892 0 40 GCAB Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)c1 40283605 ZWIWADGMIDYLLW-INIZCTEOSA-N 380.408 0.629 0 40 GCAB O=C(CN1CCN(c2ccccc2)C1=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 49378659 DPJDTTHKAMKDMD-KRWDZBQOSA-N 386.452 0.778 0 40 GCAB CCCCNC(=O)Cn1cnc2nc(N3CCN(CC)CC3)sc2c1=O 67225862 CDZHIUDOSFATNS-UHFFFAOYSA-N 378.502 0.911 0 40 GCAB Cn1cc(C(=O)N2CCC[C@H](CS(=O)(=O)NCc3ccccn3)C2)cn1 521396692 POWGVIFYTPMOOC-AWEZNQCLSA-N 377.470 0.787 0 40 GCAB O=S1(=O)CC[C@@H](NCCNS(=O)(=O)c2ccc(Br)cc2)C1 575420502 CIVWJCZMEAMAPQ-LLVKDONJSA-N 397.316 0.504 0 40 GCAB CN1CCC2(CC1)CN(C(=O)c1cc(N3CCOCC3)ncn1)[C@@H]1COC[C@@H]12 1615592293 WRRLDLIQWSQZEQ-DOTOQJQBSA-N 387.484 0.496 0 40 GCAB CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)c(C)c1 3027840 QJRGJQPWWOHOPP-CQSZACIVSA-N 387.433 0.124 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccccc1F 4370569 RFQUHSCVDFSZBI-UHFFFAOYSA-N 384.371 0.380 0 40 GCAB COCCN1C[C@H](C(=O)N2CCc3nc4sccc4c(=O)n3CC2)CC1=O 12253128 ATOHIWRGBIPGBK-GFCCVEGCSA-N 390.465 0.338 0 40 GCAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(CCO)CC4)[C@H]3[C@H](O)[C@@]21C 19370364 HMSAIGOZLMKVAN-JTCHRBOTSA-N 378.513 0.881 0 40 GCAB biogenic O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19402448 XKZYIVYZQNBVPK-IUODEOHRSA-N 388.449 0.930 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)n1 19747781 MWGSQBJLTNBHFS-GOSISDBHSA-N 396.447 0.364 0 40 GCAB CN1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)CC1 22628347 JJGJAIXZQCMZSY-UHFFFAOYSA-N 398.463 0.457 0 40 GCAB C[C@H](O)CNC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1 23142253 KOJPFKIQKWFQTL-ZDUSSCGKSA-N 391.497 0.496 0 40 GCAB CCCNS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OC 23510942 QIEBBGHXHDKMCB-UHFFFAOYSA-N 385.486 0.446 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)ccc21 32927401 DGLLRBHSDGKTKX-NSHDSACASA-N 386.451 0.472 0 40 GCAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccncc3)[C@@H]2O)cc1 77265438 MYAYVOWFHCUNGJ-KURKYZTESA-N 377.466 0.586 0 40 GCAB biogenic,in-vitro COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95479891 KHJHIEFMTTZBCB-MRVPVSSYSA-N 395.213 0.968 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 96377130 JUHLFZOFRHFGOA-UHFFFAOYSA-N 391.453 0.033 0 40 GCAB O=C1COC(=O)N1C1CN(S(=O)(=O)c2ccc(Br)s2)C1 240122376 VXPVSLNCGXSYGC-UHFFFAOYSA-N 381.229 0.862 0 40 GCAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)c4cccnc4)CCO3)nc2n(C)c1=O 257318769 VPGJXQCATSXNBA-HNNXBMFYSA-N 381.392 0.241 0 40 GCAB CC(C)(C)CNC(=O)c1cn2c(nc1=O)[C@]1(CCN(S(C)(=O)=O)C1)CC2 306125938 DGNMAUMLDXUADH-KRWDZBQOSA-N 382.486 0.326 0 40 GCAB COc1ccccc1CNC(=O)C(=O)NCC1CCN([C@H]2CCOC2)CC1 575616566 QIMOMJZRAZMDEA-KRWDZBQOSA-N 375.469 0.929 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)CN1S(C)(=O)=O 1565542585 PKIACZRGKNJTEM-MRXNPFEDSA-N 396.513 0.698 0 40 GCAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)CS(C)(=O)=O)CC1 2055732607 SRBMGAQVDBEMMH-UHFFFAOYSA-N 385.461 0.732 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc3ccccn23)cc1 3347749 KKCCVXPLOANSMU-UHFFFAOYSA-N 391.478 0.828 0 40 GCAB CNC(=O)CSc1nc(-c2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 4341324 BYSSXJMFKUDNEK-UHFFFAOYSA-N 385.449 0.841 0 40 GCAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 4370771 RYFLMPSZHCYBBB-LLVKDONJSA-N 399.407 0.778 0 40 GCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2n[nH]c3ccccc23)c(=O)n(C)c1=O 5360542 GCCFDXPPFAOTRE-UHFFFAOYSA-N 399.407 0.701 0 40 GCAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)N[C@H]1CCS(=O)(=O)C1 6321943 YPAAHCVXUMTJCB-GOEBONIOSA-N 397.449 0.705 0 40 GCAB O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7327728 VUADSBWSJGHSQK-UHFFFAOYSA-N 388.449 0.405 0 40 GCAB NC(=O)c1ccc(OCC(=O)NC(=O)NC[C@@H]2COc3ccccc3O2)cc1 7738095 WTUPGIJVTCSABR-CQSZACIVSA-N 385.376 0.830 0 40 GCAB NC(=O)c1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 8122380 LGCMLIJHRAIBBS-UHFFFAOYSA-N 378.388 0.796 0 40 GCAB C[C@]1(NC(=O)CSc2nnnn2Cc2cccs2)CCS(=O)(=O)C1 9713785 ISAZSGOSZSKQPP-ZDUSSCGKSA-N 387.512 0.568 0 40 GCAB CN1CCN(c2ccc(N3CCN(C(=O)COc4ccccc4)CC3)nn2)CC1 10213354 FPAWGFWUCVAAQW-UHFFFAOYSA-N 396.495 0.956 0 40 GCAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3cnccn3)CC1)C2=O 11543252 RTVYGDDYDZSRAN-IFXJQAMLSA-N 386.456 0.626 0 40 GCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 12366155 BDBXNLCWFMWVQL-SJORKVTESA-N 395.525 0.457 0 40 GCAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ncnc2nc[nH]c12 12925289 SWTFAWZQXSIHDG-MRVPVSSYSA-N 379.336 0.773 0 40 GCAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN21)NC1CC1 15708331 KOUKOANPAIHASU-ZNMIVQPWSA-N 391.497 0.870 0 40 GCAB biogenic,in-vitro CCCn1c(SCC(=O)NC(=O)NC)nc2cc(S(N)(=O)=O)ccc21 23044190 NNHWPMFRAWHPMC-UHFFFAOYSA-N 385.471 0.641 0 40 GCAB CCCNC(=O)[C@H](C)NC(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCC)n1 46670962 RITGHAHCVUBMIQ-BETUJISGSA-N 391.472 0.371 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3ccnc3)CC2)cc1 48234255 MREJPAWHAFVQED-UHFFFAOYSA-N 378.454 0.815 0 40 GCAB Cn1cc(C(=O)NC2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)cn1 49012426 WDVNVKTVFBWJFY-UHFFFAOYSA-N 387.440 0.944 0 40 GCAB Cn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)snc2c1=O 49409770 PUXTWVNMESGNFC-UHFFFAOYSA-N 389.412 0.785 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)C1 58225975 MQCJRPRVRQXYJY-CYBMUJFWSA-N 393.506 0.963 0 40 GCAB CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 58325600 PRQAJGFBCBBSRZ-QGZVFWFLSA-N 375.469 0.882 0 40 GCAB COC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1OC 95941992 YHBUHXSSQYRQQI-LBPRGKRZSA-N 382.232 0.660 0 40 GCAB CC(=O)OC[C@@H]1O[C@H](n2ccc(O)nc2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102987254 YKDNCFTUUKOENT-ASEORRQLSA-N 386.382 0.642 0 40 GCAB CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@H]1CS(=O)(=O)C[C@H]1O 217369014 SHTDXSWXSHAZDJ-UONOGXRCSA-N 376.475 0.299 0 40 GCAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)N1CCOCC1 408613146 ZZAXGCDOIVPYEP-OAHLLOKOSA-N 397.497 0.249 0 40 GCAB COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 535538759 XVRHNLLXMDXEOU-AWEZNQCLSA-N 382.380 0.208 0 40 GCAB CSC1(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCN(C)CC1 568455880 GLZOJFUWGNKSSI-LSDHHAIUSA-N 385.530 0.336 0 40 GCAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@@]1(C)O 604383093 IDKJGVOOMUDKCF-XYJFISCASA-N 397.497 0.829 0 40 GCAB biogenic,in-vitro CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@H]3CC[C@H](C4CC4)N3)CC2)CC1 653150023 OYBRGSWVRCZAAA-RTBURBONSA-N 391.560 0.214 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cscn2)CC1 2055745730 XCPIFZTYPKGTTG-UHFFFAOYSA-N 392.485 0.148 0 40 GCAB COCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 4045930 HLOUORRPJMPZAJ-APPDUMDISA-N 378.381 0.626 0 40 GCAB biogenic C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O 4899817 PPMNLNKGIXLKND-JSGCOSHPSA-N 377.397 0.493 0 40 GCAB CCOC(=O)Cc1csc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 5014564 MOWOVDIDUCBDRU-SECBINFHSA-N 378.497 0.644 0 40 GCAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCCC(=O)O 5268809 LQFWOBJHXHCORT-RYUDHWBXSA-N 379.388 0.664 0 40 GCAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298664 BBDWLIBQDLHGNW-LZQZEXGQSA-N 387.459 0.979 0 40 GCAB biogenic,in-vitro C[C@H](Sc1nc(Cl)nc2nc[nH]c12)C(=O)N[C@@H]1CCS(=O)(=O)C1 8992923 LOZOBTKRZOPBKC-NKWVEPMBSA-N 375.863 0.790 0 40 GCAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2nccs2)CC1 11187945 ALLPNPBUXMLGEA-UHFFFAOYSA-N 385.449 0.885 0 40 GCAB CCOc1ccc(CN(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 12578047 PWUBJWAECWXRAH-UHFFFAOYSA-N 385.424 0.491 0 40 GCAB COCC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCn3ccc(C)n3)cc2C1 19749635 IGNQOTJIVTYROV-INIZCTEOSA-N 392.481 0.400 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566939 RNCNDEZJKDJMRW-MYAGOPIHSA-N 393.827 0.088 0 40 GCAB Cc1nnc2ccc(N3CCC(C(=O)NCCCN4CCOCC4)CC3)nn12 20745836 SHWGJSQBVFORLA-UHFFFAOYSA-N 387.488 0.488 0 40 GCAB O=C1O[C@H](C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)Cc2ccccc21 23102654 UAZOZHPBDSDQGR-INIZCTEOSA-N 393.465 0.253 0 40 GCAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCN(Cc4ccccn4)CC2)[C@@H]3C1=O 36748599 MXVRPLMEAGKROJ-VQQMMKBISA-N 396.491 0.916 0 40 GCAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccon1 70902251 SFNHFUYLIQPMPH-UHFFFAOYSA-N 393.425 0.225 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(CCCOC(=O)NC(N)=O)CC2)cc1C 89643274 PJYHRHAXXIZWGG-UHFFFAOYSA-N 398.485 0.805 0 40 GCAB O=S1(=O)CCN(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 95941959 FLOJHCQBFJKDCB-UHFFFAOYSA-N 376.475 0.709 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005042 KEFVDLYBTPAGBR-CYBMUJFWSA-N 376.504 0.435 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1nnc2ccccn12 96231037 XYHVPYGXODTGQR-AWEZNQCLSA-N 378.392 0.856 0 40 GCAB CNC(=O)COc1ccc(S(=O)(=O)NCCC(=O)NC(C)C)cc1Cl 226686134 KIWNHRUVYRLNJR-UHFFFAOYSA-N 391.877 0.658 0 40 GCAB Cn1ccnc(NC[C@H]2CN(C(=O)c3ccc4c(c3)ncn4C)CCO2)c1=O 547696748 OBVMZIOWMLIHGI-AWEZNQCLSA-N 382.424 0.620 0 40 GCAB CN1CCN(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 8073082 COQLYDIVXNHQCY-CQSZACIVSA-N 384.477 0.505 0 40 GCAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc(OC)c1OC 11665667 BGSSHDJMHOAOIL-BJOHPYRUSA-N 377.397 0.543 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c(C)c1 12806562 UOPNYLCUXYDTNX-UHFFFAOYSA-N 378.454 0.402 0 40 GCAB Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 16097503 QJQQJVJVAUDVRD-SNVBAGLBSA-N 396.498 0.789 0 40 GCAB O=C(OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 18189969 LDFVROHMRYBVGB-USTZCAOPSA-N 390.388 0.144 0 40 GCAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1C 25737743 SQVGWGBOLBDXMI-UHFFFAOYSA-N 386.474 0.372 0 40 GCAB Cn1nc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc2c1=O 34891239 RHAQYCVXLSYMKC-UHFFFAOYSA-N 383.452 0.314 0 40 GCAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCNC(=O)C3)cc(C(C)C)nc21 46317390 LQOHHXVSCZUWDZ-UHFFFAOYSA-N 387.440 0.436 0 40 GCAB O=C1C[C@H](N(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C2CC2)C(=O)N1 104111166 HQMIHZKYMMWBIB-FZMZJTMJSA-N 399.403 0.217 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2Cl)C1 225679405 DUXXJINRPWKNNU-UHFFFAOYSA-N 375.859 0.920 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cnc(C)cn3)CC2)CC1 257242589 IDFJSSBLAIKSPF-FQEVSTJZSA-N 389.500 0.743 0 40 GCAB COC(=O)c1cn([C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)cc2c(O)nnc1-2 524730742 VUMLHMHDBDRPRN-GBIKHYSHSA-N 392.393 0.563 0 40 GCAB biogenic Cn1cc(-c2ncccc2CNC(=O)N2CCN(S(C)(=O)=O)C2=O)cn1 575618754 OFYCOAGONLCBPW-UHFFFAOYSA-N 378.414 0.389 0 40 GCAB Cc1sc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1C(=O)O 578239666 OGAHTGZBUNDBJT-UHFFFAOYSA-N 389.499 1.535 0 40 GCAB Cc1noc([C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 578243937 XPGLOZAXXZMWSM-GXFFZTMASA-N 396.473 0.759 0 40 GCAB O=C(c1cn2ccccc2n1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549161031 CXAFDQWLUABOLI-OAHLLOKOSA-N 395.419 0.602 0 40 GCAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1565546634 BFYYYJRQMPWQSM-YLJYHZDGSA-N 377.485 0.823 0 40 GCAB CCCC(=O)N1CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)CCC1 1615149965 AMIYCGZGQLZVSI-LNLFQRSKSA-N 388.505 0.401 0 40 GCAB CCN1C(=O)C[C@H](C(=O)NCC(=O)Nc2cccnc2)[C@H]1c1nccn1CC 1615548935 JXTKEFLEZGSRJP-YOEHRIQHSA-N 384.440 0.962 0 40 GCAB COC(=O)COc1c(OC)ccc(S(=O)(=O)N2CCOCC2)c1OC 1443694 TVNKPQGQCZTFCN-UHFFFAOYSA-N 375.399 0.277 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3noc4c3CCCC4)CC2)cn1 2809249 ZYRCRUDATDREDB-UHFFFAOYSA-N 379.442 0.434 0 40 GCAB COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 8657297 WPXDIYVNASEAQO-LLVKDONJSA-N 398.423 0.178 0 40 GCAB Cc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039728 BDDCYBSYYYCVPF-UHFFFAOYSA-N 384.440 0.950 0 40 GCAB COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 9646260 XFCPAOVYYIXETG-UHFFFAOYSA-N 383.470 0.688 0 40 GCAB NC(=O)[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 10026500 AWBMLRSYBJUJNM-CQSZACIVSA-N 386.408 0.521 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2ccno2)C1 19573782 PBUDTQOAQXAWMN-SNVBAGLBSA-N 376.398 0.536 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20566557 GHFGMGHRBJKKNY-NFWAQSGPSA-N 388.399 0.222 0 40 GCAB CCCCn1c(N)c(N(CC)C(=O)CCNC(=O)C(C)(C)C)c(=O)[nH]c1=O 32906825 OMJZOELFGKEOBG-UHFFFAOYSA-N 381.477 0.824 0 40 GCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC 33047740 HTHVCCKKKKCMGR-CYBMUJFWSA-N 390.483 0.851 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1 58313611 MNHPURKXZOIQCN-CQSZACIVSA-N 387.488 0.992 0 40 GCAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 95407670 NONKPKVYZBXMIR-KGLIPLIRSA-N 376.388 0.343 0 40 GCAB C[C@@H](C(=O)N1CCOCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 105695931 OGQYQJOLRJXKLZ-XOBRGWDASA-N 386.452 0.798 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C 257264039 LSQANLXWHCBDHR-CYBMUJFWSA-N 387.406 0.669 0 40 GCAB CC(C)n1nc2n(c(=O)c1=O)CC1(CCN(C(=O)Cc3ccn(C)n3)CC1)C2 585105955 AALPANVIBZICPF-UHFFFAOYSA-N 386.456 0.127 0 40 GCAB CN(C(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1)C1CN(c2cc3c(nn2)CCC3)C1 585589981 FLWWGUQSDSSSLS-OAHLLOKOSA-N 399.495 0.640 0 40 GCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2cnc(C(F)(F)F)nc2)C1 624331237 SKGSDTMMHSFWHF-JTQLQIEISA-N 395.407 0.966 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(Oc3cnsn3)CC2)cc1C(N)=O 670294660 RKNQJYXJEAHJEH-UHFFFAOYSA-N 398.466 0.878 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCCN([C@H]3CCSC3)CC2)cc1 1565522761 OWIFNQKKHCXMHX-AWEZNQCLSA-N 399.538 0.753 0 40 GCAB O=C(N1CCO[C@]2(COCCN(S(=O)(=O)C3CC3)C2)C1)C1(F)CCC1 1614947311 GYWWVXWPBGNGMN-OAHLLOKOSA-N 376.450 0.301 0 40 GCAB Cn1nnc2c1[C@H](COCc1ccncc1)CN(C(=O)CCS(C)(=O)=O)C2 2055750627 KRHJHIXNZGLNNM-AWEZNQCLSA-N 393.469 0.287 0 40 GCAB O=C(Nc1ccccc1-c1nn(CO)c(=S)n(CO)c1=O)C(F)(F)F 1617156 SIFQRPDOTAOSPA-UHFFFAOYSA-N 376.316 0.842 0 40 GCAB COCCCn1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 4314344 QTCVHZIRHNJCBG-GFCCVEGCSA-N 375.429 0.953 0 40 GCAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(C(N)=O)cc3)ccnc2n(C)c1=O 4942207 LAWZKRRENLDRFH-UHFFFAOYSA-N 399.432 0.462 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)cc1OC 8358725 COSUWTYPYCWDKY-UHFFFAOYSA-N 394.453 0.584 0 40 GCAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 12200584 CDIFNLCXDGLQSD-UHFFFAOYSA-N 395.437 0.201 0 40 GCAB O=S(=O)(NCCNS(=O)(=O)c1cccc2nonc12)c1ccccc1 12322688 ZQNACADQESZPMZ-UHFFFAOYSA-N 382.423 0.480 0 40 GCAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 14086147 SMRABVQTUOTLGW-ZDUSSCGKSA-N 394.497 0.806 0 40 GCAB O=C(N1CCOCC1)N1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 14303059 JPWBZLPFDOBPIF-UHFFFAOYSA-N 376.244 0.577 0 40 GCAB CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 19716772 UEDORUMBFWTDFE-UHFFFAOYSA-N 394.419 0.750 0 40 GCAB NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 23805703 OCPZIRDUQJNEGJ-UHFFFAOYSA-N 396.494 0.381 0 40 GCAB Cn1c(N)c(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 36390086 DVRYDSCDCBNYOJ-UHFFFAOYSA-N 391.859 0.325 0 40 GCAB CC(=O)[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1 71404975 STLFWKVWMFPGFQ-NFFDBFGFSA-N 376.434 0.991 0 40 GCAB COC[C@](C)(O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 77200956 JKHNGIUAMSERLY-OAHLLOKOSA-N 392.499 0.292 0 40 GCAB Cn1cc([C@]2(C)CN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CCO2)cn1 96005503 VNLVVMFIRLWGRP-SFHVURJKSA-N 396.513 0.698 0 40 GCAB CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NCc1ccc(F)cc1 245227932 ZDLFAXSVZWDOTC-RRDHSJHKSA-N 399.422 0.501 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCN1CCc1ccccc1 257272131 NBEZHSGZHXMSBY-SFHVURJKSA-N 397.479 0.053 0 40 GCAB CCCS(=O)(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O 306134848 NZQNJFCNCGRYFI-ZDUSSCGKSA-N 389.499 0.393 0 40 GCAB Cn1c(=O)oc2c(NS(=O)(=O)c3ccccc3S(N)(=O)=O)cccc21 512771876 QPLXTUWWYZOCNM-UHFFFAOYSA-N 383.407 0.580 0 40 GCAB CC(=O)N1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)C[C@]1(C)CO 585292093 WVGSRVGEXWAXHW-GNAXCBTBSA-N 379.501 0.487 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1nccn1-c1ccccc1 626534971 LFRREDDBESSGJV-AWEZNQCLSA-N 379.442 0.654 0 40 GCAB CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1)CC2 644456891 YOHHTXJPIOZTAL-AUUYWEPGSA-N 392.504 0.731 0 40 GCAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)CCOCC2)o1 1547138835 HFCXMTVJKJPWSX-GFCCVEGCSA-N 383.422 0.519 0 40 GCAB biogenic COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1ccncc1)CC2 1772595365 PRUFLEHDEGUNEG-QGZVFWFLSA-N 387.484 0.119 0 40 GCAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(S(=O)(=O)N2CCOCC2)C3)nc1 1888881850 PYWQBFXGSWFNQI-NVXWUHKLSA-N 382.486 0.843 0 40 GCAB CCS(=O)(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)NCc2ccco2)CC1 2055746372 VFTVHVBNHUEDIP-UHFFFAOYSA-N 395.485 0.348 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)CSCc1ccccc1 1756811 PVVOXOJGFNXJJC-HSBSLETESA-N 375.450 0.795 0 40 GCAB Cc1ccc(C(=O)OCCN2CCCC2=O)cc1S(=O)(=O)N1CCOCC1 3258454 UDMAZLACXNOMLE-UHFFFAOYSA-N 396.465 0.795 0 40 GCAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 4411426 RUZMRLNEEMNAMP-ZIAGYGMSSA-N 392.485 0.978 0 40 GCAB CC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](OC(C)=O)[C@H](COC(C)=O)O1 4916567 CBOSURABYCYSHO-RWMBFGLXSA-N 377.357 0.567 0 40 GCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)NCCC(=O)O)ccc12 12899982 BBGJYUQTRNICGI-NSHDSACASA-N 376.365 0.576 0 40 GCAB biogenic CC(C)C[C@H](C(=O)OCC(=O)N1CCNC1=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13056993 ZMPOMZLZXJCSPN-HZSPNIEDSA-N 391.424 0.447 0 40 GCAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCN1C(=O)CNC1=O 14168335 KQHSSLKJPYAJHB-UHFFFAOYSA-N 386.330 0.833 0 40 GCAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)COc1ccccc1C)CC2 16850504 XGWDGTFBBQEDEN-UHFFFAOYSA-N 385.420 0.816 0 40 GCAB C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20266940 NWOCEVWJALAVCE-BMRADRMJSA-N 386.452 0.851 0 40 GCAB CC[C@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N(CC)CC)cc21 20887560 PNENODXRHRTYNE-LBPRGKRZSA-N 383.474 0.805 0 40 GCAB COc1ccc(N2C[C@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1OC 22808133 FLWARYLOUOXIBZ-CQSZACIVSA-N 392.456 0.441 0 40 GCAB O=C([C@H]1CCCO1)N1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 23409117 LUSLTLTYZVBPBB-SJLPKXTDSA-N 392.452 0.616 0 40 GCAB O=C(NCCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1 35344039 ZZVJHOVLEALRDN-UHFFFAOYSA-N 390.484 0.946 0 40 GCAB CCOCc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccco3)nc2s1 41077331 FSWZUVRHZCJUMZ-UHFFFAOYSA-N 392.393 0.754 0 40 GCAB COC(=O)CCNC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 46086049 PLLXFLHMQJAZBB-UHFFFAOYSA-N 383.832 0.646 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCCC1 48303079 SHEPDFVHSIKBCV-UHFFFAOYSA-N 395.481 0.387 0 40 GCAB CCCN(CCNC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)OC(C)(C)C 84755203 FMEUZOLMHHZJSI-UHFFFAOYSA-N 382.465 0.743 0 40 GCAB CCOC(=O)Cn1/c(=N/C(=O)C2CC2)sc2cc(S(N)(=O)=O)ccc21 100877613 VWKQUHMMGVLDJP-ICFOKQHNSA-N 383.451 0.751 0 40 GCAB CC(C)CCN1C(=O)C[C@H](N2CCN(c3ncnc4c3cnn4C)CC2)C1=O 102051759 CNRFOVSDQYNNMG-HNNXBMFYSA-N 385.472 0.659 0 40 GCAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 257333014 XZRFJSSHWLPBSG-QRVBRYPASA-N 386.452 0.345 0 40 GCAB O=C(c1cnccn1)N1CC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306136241 PNQIHZOLTWNHSG-CQSZACIVSA-N 379.424 0.986 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1OC 409393775 XZOXLMVMRXYGHP-NSHDSACASA-N 399.469 0.095 0 40 GCAB Cn1ncc(C2CC2)c1C(=O)NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 685938959 WKQYPPGZOMYBKR-UHFFFAOYSA-N 395.462 0.845 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(CC1CC1)C(=O)CO2 1614933963 RLRMYONKFQOCBA-IBGZPJMESA-N 377.416 0.630 0 40 GCAB COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 4213722 VEKQZKNOUQBUJE-UHFFFAOYSA-N 395.416 0.373 0 40 GCAB CCOc1cc(CNc2nnnn2C)cc(Br)c1OCC(N)=O 8253738 HWKRLIGBJFQEHX-UHFFFAOYSA-N 385.222 0.848 0 40 GCAB CC(=O)NCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 12985912 USPOMINDPILTDO-HXUWFJFHSA-N 382.420 0.859 0 40 GCAB COCCOCc1nc2n(n1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 17079449 JFIGBRBLGKNIMZ-LLVKDONJSA-N 389.368 0.692 0 40 GCAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)O2 19562138 OZINMNXIZUJGRI-FQEVSTJZSA-N 387.436 0.847 0 40 GCAB COc1cc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc(Br)c1O 20738809 JQKIMXUNHXMKOB-SECBINFHSA-N 397.185 0.775 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCOC)cc1 22228204 NVGLXXMEYBLQJE-UHFFFAOYSA-N 385.486 0.138 0 40 GCAB C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 22815144 BOPSKQLQQXCMJD-HNNXBMFYSA-N 384.484 0.577 0 40 GCAB Cc1nn(CC(=O)N2CCCN(S(C)(=O)=O)CC2)c(=O)c2ccccc12 24781879 FMHKKRXLDKJBLD-UHFFFAOYSA-N 378.454 0.199 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)NC(C)C)cc1 36354689 YZLATPUMNBAQQO-HNNXBMFYSA-N 396.469 0.049 0 40 GCAB COc1cccc(C(N)=O)c1OCC(=O)Nc1cccc(S(N)(=O)=O)c1 40067395 GYQPGPLYWPTAHN-UHFFFAOYSA-N 379.394 0.459 0 40 GCAB CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 45064356 VCRWARBQURDPBW-UHFFFAOYSA-N 382.424 0.666 0 40 GCAB NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(CC(F)(F)F)CC3)ccc21 48278673 KCYKBTMSEGSQIO-UHFFFAOYSA-N 392.403 0.996 0 40 GCAB CN1C[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)CC1=O 72325728 RCZZAVLPDOUHMV-LBPRGKRZSA-N 378.454 0.187 0 40 GCAB COC[C@@](C)(O)CNC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 78947360 HZRIRMGBEAHKLN-IBGZPJMESA-N 393.440 0.708 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCc3cn[nH]c3C2)c1 95432699 XNNMJXPQQPPVGC-UHFFFAOYSA-N 379.394 0.730 0 40 GCAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)N1CCN(S(C)(=O)=O)C1=O 225711512 GSWRERFTDKEQKF-QGZVFWFLSA-N 397.453 0.626 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCSc1ncn[nH]1)Cc1ccc(F)cc1 226062417 WHTURAXDTYOKPT-UHFFFAOYSA-N 387.462 0.614 0 40 GCAB CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 226076058 KVINDRNOVITWHS-UHFFFAOYSA-N 389.499 0.513 0 40 GCAB COCC(=O)N1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 253398361 HCQPTVADBHQTOJ-HNNXBMFYSA-N 381.498 0.629 0 40 GCAB biogenic,in-vitro Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cnn(C)c4)C[C@H]32)cc1 306145026 ZVJWSJSMZTWRQX-MSOLQXFVSA-N 392.463 0.724 0 40 GCAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095241 LZEKBOANVDYYAZ-MRXNPFEDSA-N 384.502 0.913 0 40 GCAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 922641 FHILQTOWPAZAEA-CYBMUJFWSA-N 390.483 0.165 0 40 GCAB CCCNC(=O)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 3367185 XVLBBFFDGVWGPI-UHFFFAOYSA-N 384.414 0.081 0 40 GCAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C 4249527 GQPYVKZDYQLNIE-NSHDSACASA-N 382.424 0.478 0 40 GCAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(OC)c1OC)C1=C(COC1=O)N2 4495940 XHRATDQZAUUCQO-LBPRGKRZSA-N 385.376 0.942 0 40 GCAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)c1 5251893 MWPPTJCUNOBOJT-UHFFFAOYSA-N 385.380 0.532 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)NCC(=O)NCc2ccco2)cc1 9504194 JQFGFYXEYVCNCY-UHFFFAOYSA-N 380.426 0.085 0 40 GCAB Cc1cc(C)c(S(=O)(=O)NCCCC(=O)O)cc1N(C)S(C)(=O)=O 9849123 PAFGMLYBLKEPKB-UHFFFAOYSA-N 378.472 0.842 0 40 GCAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1n[nH]c(=O)c2ccccc12 10425592 MBVAXQIMESHVEC-UHFFFAOYSA-N 383.408 0.908 0 40 GCAB CS(=O)(=O)NC1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 10663459 NCPHWMIDGFOENV-UHFFFAOYSA-N 380.426 0.044 0 40 GCAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 12516123 DVYUBSUEQUQXEW-IUCAKERBSA-N 387.396 0.069 0 40 GCAB C[C@H](Oc1ccccc1)C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 12525694 NOSIYUKFPWWXMQ-ZDUSSCGKSA-N 386.408 0.835 0 40 GCAB Cn1c(=O)c2c(SCCC(=O)NC(N)=O)nc(C(C)(C)C)nc2n(C)c1=O 12849937 STYBDPJJLGZNTL-UHFFFAOYSA-N 394.457 0.002 0 40 GCAB Cn1nnc2c(N3CCN(C(=O)NCCOc4ccccc4)CC3)ncnc21 13534808 FSCMBCGRHODHBU-UHFFFAOYSA-N 382.428 0.669 0 40 GCAB C[C@@H](C(=O)NCCc1nc(-c2ccccc2)ncc1C(N)=O)N1CCCC1=O 19697267 BCBKAMABOULARZ-ZDUSSCGKSA-N 381.436 0.912 0 40 GCAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C3CCN(C(C)=O)CC3)C2=O)c1 24767846 XOXDLEWKOMGLRN-LJQANCHMSA-N 388.424 0.752 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)CCc2ccccc2)CC1 32913465 VEOHFPXGIZQAJY-UHFFFAOYSA-N 389.543 0.763 0 40 GCAB COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N(C)C)CC1 36215799 OPTWQBHYLYMRAZ-UHFFFAOYSA-N 390.893 0.711 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 80332203 HCFBIJSVCFXLRO-PMUMKWKESA-N 397.497 0.306 0 40 GCAB COCCN1[C@]2(CCN(C(=O)N3CCOCC3)C2)c2ccccc2S1(=O)=O 96261873 PEBUQNMASPGTFL-SFHVURJKSA-N 395.481 0.691 0 40 GCAB O=S(=O)(c1cccs1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224326933 QXTCQBLHELPHRG-UHFFFAOYSA-N 395.510 0.886 0 40 GCAB NC(=O)COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 256027966 LZVDAAPSHQEYNI-ZROIWOOFSA-N 379.401 0.625 0 40 GCAB Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)C4CC4)C2)C3)cs1 306123524 APIUNSDFJHPEMQ-SFHVURJKSA-N 387.465 0.403 0 40 GCAB CN1CCCN(C(=O)c2cn3c(nc2=O)[C@]2(CCN(C(=O)C4CC4)C2)CC3)CC1 306126281 DROUVMJIVQMXMY-NRFANRHFSA-N 399.495 0.305 0 40 GCAB Cn1cc(-c2noc(CNS(=O)(=O)c3cccc4nsnc34)n2)cn1 575617947 YCOUZDSJZHQKQA-UHFFFAOYSA-N 377.411 0.953 0 40 GCAB CN1CCN(C[C@@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1 585272296 KDJFJQQLIXAVIX-QFIPXVFZSA-N 388.556 0.703 0 40 GCAB COc1c2ccc(C(=O)N3CCN(c4cc(=O)n(C)c(O)n4)CC3)cc2nn1C 1775967066 DEXKCJFZRJYYBE-UHFFFAOYSA-N 398.423 0.344 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(S(=O)(=O)N(C)C)C[C@H]2O1 2055730081 XKXBOWAMKSOMFI-NUEKZKHPSA-N 382.486 0.326 0 40 GCAB Cc1ccc(OC[C@@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1C 4371011 SNQJRLMBGLORJZ-ZDUSSCGKSA-N 387.440 0.546 0 40 GCAB C[C@@H]1CN(C(=O)Cn2cnc3c(nnn3-c3cccc(F)c3)c2=O)C[C@@H](C)O1 5056605 ZSPRJROLCISXJX-VXGBXAGGSA-N 386.387 0.752 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1C(N)=O 12737003 YWGDTWIVINCMGM-UHFFFAOYSA-N 396.513 0.927 0 40 GCAB COc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1OC 12790554 IEMOHYMUAMJBRY-LBPRGKRZSA-N 395.437 0.808 0 40 GCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 16039545 KKENWBQNIKXNLC-UHFFFAOYSA-N 383.455 0.333 0 40 GCAB CN(C)S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccccc1F 20488742 UARGTPOEMAJYBW-UHFFFAOYSA-N 383.449 0.842 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 24688841 GZPUMIDVMABOGV-UHFFFAOYSA-N 383.470 0.258 0 40 GCAB O=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248110 AOYAQVIUFGSCJM-UHFFFAOYSA-N 392.481 0.432 0 40 GCAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)c2ccccc2O1 32831112 AAHZSYSEIRWTJB-HNNXBMFYSA-N 392.389 0.592 0 40 GCAB CCN(C(=O)CS(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1 40106266 RPBJOCHTLUJBCW-UHFFFAOYSA-N 379.438 0.052 0 40 GCAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 45958014 LILNRULCCZHARB-ZDUSSCGKSA-N 381.454 0.294 0 40 GCAB COc1cnc(C2(O)CCN(C(=O)Cc3csc(N)n3)CC2)c(OC)n1 57743895 OWHIRHZMZSSWNF-UHFFFAOYSA-N 379.442 0.585 0 40 GCAB CN(C(=O)COC(=O)[C@@H]1CSc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 62582512 KWKADPQCZZHMJA-AAEUAGOBSA-N 385.463 0.728 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C[C@@H](O)Cn2cccn2)CC1 106107616 IBJKDAXCOYRPQV-OAHLLOKOSA-N 383.474 0.245 0 40 GCAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H](C)Cn3cncn3)CC2)C1 108483739 HUGIHLXOCMWHJC-IXDOHACOSA-N 391.520 0.498 0 40 GCAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222967472 RUWJUNBDPBGMOZ-AWEZNQCLSA-N 399.513 0.830 0 40 GCAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)CC[C@@H]2O)CC1 257275307 NOVDDMGCFBMSHQ-ROUUACIJSA-N 385.468 0.693 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H](C[C@H]3CCOC3)C(=O)O)ccc21 547556470 UAWQGKQKYSJETR-PWSUYJOCSA-N 383.426 0.035 0 40 GCAB CN(C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426202 OJIIXTJJDHAIAE-OAHLLOKOSA-N 397.522 0.974 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 626301814 YCNQOZDHKFUBLN-HNNXBMFYSA-N 391.453 0.926 0 40 GCAB Cn1nnc2c1[C@@H](COCc1ccncc1)CN(C(=O)CCS(C)(=O)=O)C2 2055750628 KRHJHIXNZGLNNM-CQSZACIVSA-N 393.469 0.287 0 40 GCAB COC1(CC(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)CCC1 2055812447 ZHDQAOWJMFAADI-SFHVURJKSA-N 375.473 0.629 0 40 GCAB COc1ccc(C(=O)NC(=S)NC[C@@H](O)COC[C@H]2COC(C)(C)O2)cc1 4791155 HYBWPICGMPEYOI-HIFRSBDPSA-N 398.481 0.829 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 9114613 BJQCADYIBABZDG-UHFFFAOYSA-N 383.470 0.693 0 40 GCAB C[C@H](OC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC(=O)NC(C)(C)C 18599180 LIFZUUAYNGDORW-NSHDSACASA-N 396.444 0.797 0 40 GCAB CS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19079023 LTCGAOZDNSFSCB-UHFFFAOYSA-N 376.485 0.394 0 40 GCAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCN(C)C)[C@H]2O)cc1 20463958 RXXQJQDZMVGLPX-HSFUPAIVSA-N 394.472 0.163 0 40 GCAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)cc1 20614655 RDMBOCJWSIPUBW-UHFFFAOYSA-N 392.437 0.573 0 40 GCAB CC(=O)OC1[C@@H](OC(C)=O)C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(C)=O 28539534 MOIDFPMKXOENDU-HUUCEWRRSA-N 381.312 0.494 0 40 GCAB Cn1c(=O)c2ccccc2n2c(CN3CCCN(S(C)(=O)=O)CC3)nnc12 30694245 SQGUNGQDPSZIRN-UHFFFAOYSA-N 390.469 0.049 0 40 GCAB O=C(CN1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1)N1CCCC1 46099695 LKHXHQCJCYCUFR-UHFFFAOYSA-N 397.483 0.717 0 40 GCAB COC(=O)c1cccc(OCCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 60086272 MJINADXPLUPXSP-UHFFFAOYSA-N 392.799 0.953 0 40 GCAB Cc1cccc(OCCNC(=O)CN2CC[C@H](OCCN3CCOCC3)C2)c1 84211253 SSUYHQSLORKVEK-FQEVSTJZSA-N 391.512 0.913 0 40 GCAB Cc1cn2cc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)sc2n1 95999041 QRGFKLQVSUKXCH-CYBMUJFWSA-N 398.510 0.971 0 40 GCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3cccnc3)CC2)O1 96263037 SLNDKWLTGKJNKO-CQSZACIVSA-N 391.453 0.103 0 40 GCAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 227161829 BAUNVBRPMBHEDG-ZDUSSCGKSA-N 395.481 0.967 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)C 257200505 ADPLKUXMWLURQL-INIZCTEOSA-N 388.468 0.960 0 40 GCAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCn1nc2c(cc1=O)CCC2 575621521 XXPRKLKLUCCHMC-UHFFFAOYSA-N 381.392 0.365 0 40 GCAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCC2CCOCC2)[C@@H](O)C1 585283134 CGODFOGATYPENH-FPOVZHCZSA-N 376.497 0.960 0 40 GCAB Cc1cc(N2CC(Cn3nc(-n4nc(C)cc4C)ccc3=O)C2)n2ncnc2n1 585606280 VYJFOSXOXPEMFG-UHFFFAOYSA-N 391.439 0.928 0 40 GCAB Cc1ncnc(C(=O)N2CCOC[C@@]3(CC[C@H](Cn4ncccc4=O)O3)C2)c1C 1614931005 DSRQXTCJNXIUOO-OXQOHEQNSA-N 399.451 0.741 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CC2)c1 4569705 CUICZYATGHYXRO-OAHLLOKOSA-N 379.482 0.851 0 40 GCAB Cc1ccc(C2=NN[C@@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 6204416 MMIZAZUVAUSVMY-SFFUCWETSA-N 384.498 0.315 0 40 GCAB CC(=O)N1CCN(c2ccc(NC(=O)CN3C(=O)CSC3=O)cc2)CC1 7460759 PKHGMOKKDKTRPD-UHFFFAOYSA-N 376.438 0.989 0 40 GCAB CCNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 10035693 DSGPSQRKGWACMJ-UHFFFAOYSA-N 388.471 0.040 0 40 GCAB CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 12232530 BMASDCIHOVKQIX-GFCCVEGCSA-N 390.465 0.904 0 40 GCAB CN1CCN(c2ccc3c(c2)N/C(=C2/C(=O)N=c4cccc(F)c4=C2N)N3)CC1 18710083 KCOYQXZDFIIGCY-CZIZESTLSA-N 392.438 0.553 0 40 GCAB O=C([C@H]1CCCO1)N1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 23409121 LUSLTLTYZVBPBB-FUHWJXTLSA-N 392.452 0.616 0 40 GCAB CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C)cc1Br 58776689 KJYQYMXKQWBZAS-UHFFFAOYSA-N 385.305 0.975 0 40 GCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102127519 RVHYTPDRNPITOR-TXEJJXNPSA-N 381.429 0.719 0 40 GCAB CCc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 220280601 BZBHDQMMIVFUQY-HNNXBMFYSA-N 383.514 0.852 0 40 GCAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@@H](C)N[C@H](C)C3)n2N)C[C@H](C)N1 225149932 SPZVINZIPQHRFR-BALXVJCKSA-N 392.596 0.222 0 40 GCAB Cn1nnc(NC(=S)NC(=O)c2ccc(I)cc2)n1 408628181 QIOZIESXLXYUCN-UHFFFAOYSA-N 388.194 0.942 0 40 GCAB Cn1cc(C(=O)N2CCC[C@@H](CS(=O)(=O)NCc3ccccn3)C2)cn1 521396693 POWGVIFYTPMOOC-CQSZACIVSA-N 377.470 0.787 0 40 GCAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)n1 1775967535 VPKVLEYXEPZZSC-UHFFFAOYSA-N 390.465 0.574 0 40 GCAB COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H](N)CC(=O)OC(C)(C)C 1857788520 ORDFQNXOMWIXDS-RYUDHWBXSA-N 388.461 0.825 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@@H](OCCCn3cccn3)[C@@H]3OCCC[C@H]32)c1 2055739402 VILFJUAQEQNHHN-BFYDXBDKSA-N 395.485 0.644 0 40 GCAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 4045433 PNKJUVLFBNMXMK-AKWBHNSASA-N 378.406 0.150 0 40 GCAB biogenic CCOCCn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314295 PCCOVLHCZBHQII-CQSZACIVSA-N 389.456 0.982 0 40 GCAB C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl 4829897 GQSWAEGTXREGEL-JTQLQIEISA-N 375.816 0.965 0 40 GCAB Cn1c(=O)c2c(-c3ccccc3Cl)n(C(CO)(CO)CO)cc2n(C)c1=O 6811142 GEUVMKMIBFXTID-UHFFFAOYSA-N 393.827 0.031 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC2)cc1 8380487 PDAOMEUKEACXJD-QGZVFWFLSA-N 397.497 0.689 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 8844911 DXAPTFJIJXGBGS-ACJLOTCBSA-N 380.445 0.788 0 40 GCAB O=C(CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)s1)NC1CC1 9384507 MANCNMQOUUJXII-UHFFFAOYSA-N 391.902 0.949 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)Cn2ncc(=O)c3ccccc32)s1 12782681 PQNRBRHHMLTTSU-UHFFFAOYSA-N 378.435 0.422 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCCN1S(C)(=O)=O 12997293 DASDHSZAIZQNHK-CQSZACIVSA-N 378.454 0.696 0 40 GCAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 13265580 IPGIBFNWTFBBEN-CQSZACIVSA-N 392.389 0.835 0 40 GCAB COCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22249203 NNKGMBXTQZVYIY-UHFFFAOYSA-N 392.861 0.502 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN(C(=O)C(C)C)CC1 25288984 KGHUNXPZHGVUEX-UHFFFAOYSA-N 383.470 0.719 0 40 GCAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826632 KJZRAFCQIMCHEH-ZIAGYGMSSA-N 394.449 0.110 0 40 GCAB O=C(c1cnc(N2CCOCC2)nc1)N1CCC(O)(c2cccnc2F)CC1 72340058 PZEUNUWWZMKULG-UHFFFAOYSA-N 387.415 0.971 0 40 GCAB COc1cn(C)c(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1=O 72404694 FWNGJCWUBYWJFO-LLVKDONJSA-N 380.426 0.511 0 40 GCAB O=C(c1nnn(-c2ccc(F)cc2)n1)N1CCN(S(=O)(=O)C2CC2)CC1 77100343 FREASCXVOVDAKS-UHFFFAOYSA-N 380.405 0.051 0 40 GCAB Cc1nc2ncnn2c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1C 95999610 OUPGFNQSQRZUSN-CQSZACIVSA-N 380.474 0.372 0 40 GCAB Cc1ccnn1-c1ccccc1NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 626496873 XAGBIAWMZBUKIK-CQSZACIVSA-N 393.469 0.963 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2ccc(-n3cccn3)cc2)NC(=O)NC1=O 1616035241 UZEPBRSVMCIPJX-SFHVURJKSA-N 379.380 0.071 0 40 GCAB Cn1nc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)ccc1=O 1888890589 CFGZIVMDRMOJFB-KBPBESRZSA-N 378.436 0.875 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 4250890 ZIPRFMYVWARBQR-UHFFFAOYSA-N 399.407 0.971 0 40 GCAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC 4291481 DOCHAYVUPFVIDX-GFCCVEGCSA-N 379.438 0.464 0 40 GCAB CC(C)NC(=O)Cn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2sccc21 6661341 FAEMERSHXHWWPP-UHFFFAOYSA-N 392.481 0.762 0 40 GCAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8459695 AQLBPIAOTWHOMH-GFCCVEGCSA-N 397.435 0.556 0 40 GCAB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 8755286 NZNZIGVXXLZAKE-UHFFFAOYSA-N 397.464 0.954 0 40 GCAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCOCC2)CC1 20677142 QDICUQNSTBEPQP-LJQANCHMSA-N 386.452 0.770 0 40 GCAB Cn1c(=O)c2c(nc(N3CCOCC3)n2C[C@H](O)c2ccccc2)n(C)c1=O 23115233 IRPKSERFGTUISZ-AWEZNQCLSA-N 385.424 0.004 0 40 GCAB CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 32771304 MWBBLEGHFQCMGR-UHFFFAOYSA-N 383.451 0.254 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 42384474 YJPOLDIHVXFQKR-UHFFFAOYSA-N 394.496 0.333 0 40 GCAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96036806 GVPRRBYIENACTK-OAHLLOKOSA-N 396.513 0.837 0 40 GCAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(N2CCOCC2)nc1 102673337 WBICEMNIRUXJAL-LUVWLHFXSA-N 382.420 0.664 0 40 GCAB O=C(O)C1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 565423851 QZFBLNXTYLIVNS-UHFFFAOYSA-N 382.438 0.579 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)NCC2(O)Cc3ccccc3C2)[C@H]1c1cnn(C)c1 669005356 POVKCBUPWWAPNF-MOPGFXCFSA-N 398.463 0.355 0 40 GCAB Cn1c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)cccc1=O 2055754618 JSYYEMJOFXIZTD-PIGZYNQJSA-N 381.379 0.388 0 40 GCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 12137037 QYSWBUUPPFQFFZ-OAHLLOKOSA-N 376.409 0.744 0 40 GCAB in-vitro Cn1c(=O)c2c(ncn2C[C@@H](O)COCc2ccc(Cl)cc2)n(C)c1=O 12629787 PMKVVPDRQKBGHT-CYBMUJFWSA-N 378.816 0.665 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCOC3=O)c2)C[C@@H](C)O1 12811125 AJZNPYAUOHWYHG-ZOWXZIJZSA-N 383.422 0.957 0 40 GCAB CCOC(=O)c1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(CC)c2=O)no1 21147186 JHIRHZLMOYQZNG-UHFFFAOYSA-N 375.316 0.780 0 40 GCAB CCCCCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 22923877 AKJBBGPOMZTTFT-UHFFFAOYSA-N 376.505 0.761 0 40 GCAB COc1ccc(S(=O)(=O)NCCNC(=O)Cc2c(C)nn(C)c2C)cc1 26689556 CSICPQIZVIZILX-UHFFFAOYSA-N 380.470 0.683 0 40 GCAB COc1ccccc1CNC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 31093228 DZDXSXRPYPPPAF-KBPBESRZSA-N 385.486 0.933 0 40 GCAB COc1ccc(N2C[C@H](C(=O)NCC(=O)NCc3ccncc3)CC2=O)cc1 31817528 KNMRQUOZSWPIFP-OAHLLOKOSA-N 382.420 0.876 0 40 GCAB CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1CC 95996035 YLLSFAUQENWVCN-INIZCTEOSA-N 377.441 0.568 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(CC1CCOCC1)C2 96050465 GMEWTZKYSZNZBG-IBGZPJMESA-N 375.473 0.486 0 40 GCAB CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100790024 RNNBHRJKHVEISM-KBPBESRZSA-N 394.431 0.792 0 40 GCAB biogenic CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCN3CCN(C)CC3)C2=O)cc1 101814144 ONIFQPZUYGMMOU-QGZVFWFLSA-N 388.468 0.332 0 40 GCAB C[C@@H]1Cc2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 105764571 DBOXSAVILMXOSS-BZNIZROVSA-N 386.495 0.704 0 40 GCAB CC(C)(C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CCN(S(C)(=O)=O)C1)CC2 306125939 DGNMAUMLDXUADH-QGZVFWFLSA-N 382.486 0.326 0 40 GCAB Cc1cccc(CNC(=O)CN2C(=O)N[C@@H](Cc3cn(C(C)C)nn3)C2=O)c1 547681731 RXCVILBUWCRIFW-INIZCTEOSA-N 384.440 0.947 0 40 GCAB Cc1cc(NS(=O)(=O)c2cnn(C)c2I)nn1C 585138493 WFHBOPSQJFEQIJ-UHFFFAOYSA-N 381.199 0.867 0 40 GCAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCN(C)C1=O 643555470 TWDMHSDBDJPSLF-XJKSGUPXSA-N 391.424 0.251 0 40 GCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)NC[C@H]1CCCO1 1547200977 FEMINLOXGCTNRN-CYBMUJFWSA-N 375.360 0.467 0 40 GCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)c1 1565523366 MFKUDFRGWPGURC-HNNXBMFYSA-N 398.481 0.967 0 40 GCAB C[C@@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O 2655549 WRYOSPNCZSAXOH-NSHDSACASA-N 395.371 0.952 0 40 GCAB Cc1ccc(SCCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 3450618 WUTOWPJQBZYJMV-UHFFFAOYSA-N 391.449 0.883 0 40 GCAB CN(CC(=O)OCC(=O)N1CCCC1=O)S(=O)(=O)c1ccc(Cl)cc1 8631184 ZNRAZDKVBQIUNM-UHFFFAOYSA-N 388.829 0.653 0 40 GCAB COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 8749189 AYSNPYFGIYRZIT-INIZCTEOSA-N 390.484 0.499 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)CC1 10386685 BQYOXPISMCBUQI-UHFFFAOYSA-N 395.466 0.643 0 40 GCAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 12158596 RSENDLJUDZWZDY-RMHZUWNSSA-N 383.452 0.919 0 40 GCAB COc1ccccc1NC(=O)CN1CCN(c2ncnc3c2nnn3C)CC1 13533750 QYWQCZMZMMAXRF-UHFFFAOYSA-N 382.428 0.528 0 40 GCAB CCN1C[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)CC1=O 19526874 GFQUUEDYRSBZCX-MRXNPFEDSA-N 399.495 0.956 0 40 GCAB COCC(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19592982 CSPSOIXALFAOSW-MRXNPFEDSA-N 390.415 0.792 0 40 GCAB NC(=O)Cc1csc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 23110801 IUTAKTSZLAUTAF-CYBMUJFWSA-N 394.478 0.963 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC1 38490039 LBRSDXOPJXYJHM-HIFRSBDPSA-N 379.482 0.466 0 40 GCAB C[C@@H]1Cc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 39978483 DBOXSAVILMXOSS-BDJLRTHQSA-N 386.495 0.704 0 40 GCAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCN(CC(N)=O)CC1 47793680 HUXHKEKTQDZNTG-UHFFFAOYSA-N 377.441 0.686 0 40 GCAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cc(C)on2)CC1 56997870 RYTCXMFPNNIXGN-UHFFFAOYSA-N 387.440 0.869 0 40 GCAB Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCCc4cc(F)ccc43)cnc21 69947996 CSTRAXANKRPNEN-UHFFFAOYSA-N 390.396 0.902 0 40 GCAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(C(=O)c2ccco2)CC1 101496675 WISLJWNTMJTWLT-HUUCEWRRSA-N 385.420 0.905 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)[C@H]2C(=O)Nc3ccccc32)cc1 101896832 PRXLPUWUZCAYBN-HNNXBMFYSA-N 387.417 0.298 0 40 GCAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N(CCO)CCN1CCOCC1 513805758 XFBCFFRHMDQVTM-UHFFFAOYSA-N 384.498 0.419 0 40 GCAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CC(=O)N2CCCC[C@@H]12 556761434 ZSTAHEQTLIEGPR-CVEARBPZSA-N 380.489 0.320 0 40 GCAB Cc1nn2c(=O)cc(CC(=O)NCCN3CCOCC3)[nH]c2c1-c1ccccc1 575402299 AQDKVRSDXVSSEK-UHFFFAOYSA-N 395.463 0.989 0 40 GCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1614927949 HKCZKHUZNJLTQF-YLJYHZDGSA-N 399.451 0.443 0 40 GCAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc4nccn4c3)CCN2C12CCOCC2 1772595304 LEGAJXBAVZBMFD-MRXNPFEDSA-N 383.452 0.830 0 40 GCAB COc1ccc(OCc2nnc(SCC(=O)NC[C@H]3CCCO3)n2N)cc1 3447983 FGCLCLLRBISYTJ-CQSZACIVSA-N 393.469 0.967 0 40 GCAB Cc1cc(C)c(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 4825744 QQVYQJFMCZOJHN-UHFFFAOYSA-N 398.419 0.785 0 40 GCAB Cn1c(=O)c2cc(C(=O)NC[C@@H]3COc4ccccc4O3)sc2n(C)c1=O 12422752 OKYZMFMZJPKLOI-SNVBAGLBSA-N 387.417 0.869 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 12622968 LCQXYSNMOLQKLL-NSHDSACASA-N 380.344 0.758 0 40 GCAB CCS(=O)(=O)N1CCN(C(=O)CN2CCC(c3csnn3)CC2)CC1 19520339 YQOGQKDPHLRZLI-UHFFFAOYSA-N 387.531 0.211 0 40 GCAB C[C@H]1CCCN(C[C@H](O)CN2CCN(C[C@H](O)CN3CCC[C@H](C)C3)CC2)C1 22580637 ALWBJNQJXWWQBC-MYGLTJDJSA-N 396.620 0.790 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nnc(-c2ccccc2)o1 23992251 ZRRYGLDUWQBJBA-AWEZNQCLSA-N 378.454 0.862 0 40 GCAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(O)CC1 23993150 KXJKTAZAAPWOMP-CQSZACIVSA-N 397.497 0.491 0 40 GCAB NS(=O)(=O)N1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 52487727 GXBJHZSMPVJCCM-UHFFFAOYSA-N 394.541 0.826 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(C)c3cnn(C)c3)C2=O)cc1 72308509 HBNRLLIFCSTVSA-SFHVURJKSA-N 386.412 0.363 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 95476796 PSGUGQIJMMWLOP-UHFFFAOYSA-N 390.469 0.784 0 40 GCAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 108128193 DFIBGLBDGCQAJP-QWHCGFSZSA-N 377.488 0.432 0 40 GCAB O=C(O)c1cnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]c1=O 226105142 KQNNARLGUACETO-UHFFFAOYSA-N 379.394 0.832 0 40 GCAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)n1 390828515 RNVSSJZXPUKRSO-AWEZNQCLSA-N 396.469 0.415 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccc(F)cc1 408620901 MUDUVOKKSFMCFA-UHFFFAOYSA-N 387.477 0.426 0 40 GCAB CCCc1onc(C)c1C(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)NC)CO2 575404330 LPWUIUAVTOUUPB-HNNXBMFYSA-N 390.484 0.987 0 40 GCAB CCc1ccc(CN2CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(C)=O)CC2)o1 643913373 TZWGMSPGNACRAX-XUVXKRRUSA-N 398.500 0.386 0 40 GCAB Cc1noc(COC2CN(C(=O)NCc3ccc(S(C)(=O)=O)s3)C2)n1 644471039 HEEYSXUVGSFEIY-UHFFFAOYSA-N 386.455 0.954 0 40 GCAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(O)(c2ncnn2C)CC1 1561884119 BOUOCOGGMYPHQX-UHFFFAOYSA-N 382.490 0.346 0 40 GCAB Cn1c(N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc(=O)n(C)c1=O 1775976669 CYJBGVVJEIZWPI-UHFFFAOYSA-N 384.465 0.929 0 40 GCAB O=C(c1ccc(F)cc1F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243228 TWEBIZMNULOCJB-ZDUSSCGKSA-N 397.403 0.870 0 40 GCAB Cn1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 6828062 HBLOJSVIZRGKLI-RFGFWPKPSA-N 388.380 0.760 0 40 GCAB O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1 8627172 ZNCXLQIFFRCRHD-KVPLUYHFSA-N 389.427 0.506 0 40 GCAB biogenic,in-vitro CN(Cc1ccc(F)cc1)C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 9051137 ILJTZFDPJUWTEF-UHFFFAOYSA-N 381.429 0.896 0 40 GCAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccn3)cc2)C1=O 11859319 KCEONYMDYIZYPP-LBPRGKRZSA-N 395.462 0.873 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NC(C)C)CC2)cc1 13719029 PPDGLNZSHOQENP-UHFFFAOYSA-N 397.497 0.737 0 40 GCAB CC1(C)CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1 19818777 MKQFKVHOYRHHBD-UHFFFAOYSA-N 386.452 0.962 0 40 GCAB O=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(c2nccs2)CC1 29986890 MZTRRUKVUXWXJY-UHFFFAOYSA-N 377.455 0.296 0 40 GCAB COC(=O)c1cnc(NCC[C@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 40153530 MECMEOWGRJTKFO-CQSZACIVSA-N 399.469 0.870 0 40 GCAB Cc1cc(C)nc(NCCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 95478514 JMPLXECALNZLJA-HNNXBMFYSA-N 381.502 0.227 0 40 GCAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 96000276 SCPGDFBPRICEEQ-INIZCTEOSA-N 393.509 0.495 0 40 GCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(CN2CCOCC2)cs1 102872956 LQUIJUXWRAHYGL-OKILXGFUSA-N 390.465 0.865 0 40 GCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 226650506 WJVSUUOYTGGIPB-ZFCANOHDSA-N 385.372 0.948 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 408625571 SXQQIUODPKIUJW-GFCCVEGCSA-N 383.470 0.476 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 2055746055 FVBCAAURORFAAD-UHFFFAOYSA-N 377.395 0.953 0 40 GCAB CN1C(=O)[C@H](CC(N)=O)N(NC(=O)c2ccc(Br)cc2)C1=S 2225422 MDPJTXXKCZEWOL-VIFPVBQESA-N 385.243 0.397 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(C)C)CC2=O)cc1 4086329 DVLVMDXWSNOKFU-JJRVBVJISA-N 391.468 0.686 0 40 GCAB biogenic CCCc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4138976 HZTBPQLEDVJFAT-UHFFFAOYSA-N 377.470 0.694 0 40 GCAB COc1ccc2cc(C)c3nn(CC(=O)N4CCNC(=O)C4(C)C)c(=O)n3c2c1 12181580 RNGSYEIDBVNTEF-UHFFFAOYSA-N 397.435 0.703 0 40 GCAB CCOC(=O)CNC(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 12315254 VBSNQJIZUKOHFG-CQSZACIVSA-N 380.489 0.714 0 40 GCAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CCS(=O)(=O)CCC(N)=O)C1=O 12810872 ZOVHQLXPGWOFPY-OAHLLOKOSA-N 389.380 0.022 0 40 GCAB O=c1cc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(N2CCCC2)[nH]1 19346342 RBVGGHAXNKQNQK-UHFFFAOYSA-N 392.437 0.620 0 40 GCAB CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 24688578 KLYUVTJLZNFRIS-UHFFFAOYSA-N 397.497 0.633 0 40 GCAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)CCO1 29878451 YFJGPFZNORTWIB-CWTRNNRKSA-N 389.408 0.516 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 33330771 KVHZENVMSQZTOE-UHFFFAOYSA-N 392.437 0.799 0 40 GCAB O=C(CCNC(=O)c1cc(-c2cccnc2)on1)N[C@@H]1CCS(=O)(=O)C1 48251408 DLGMJKLXQOBGTN-GFCCVEGCSA-N 378.410 0.160 0 40 GCAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 48410111 OUKPULRSQBWQHI-DAXOMENPSA-N 396.513 0.288 0 40 GCAB COC(=O)[C@@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)C(C)C 70666247 SQFMGWMPEZSRJR-HNNXBMFYSA-N 377.397 0.728 0 40 GCAB biogenic O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NCCc1ccco1 72326234 NCPYGUUWKXCESZ-FQEVSTJZSA-N 397.435 0.898 0 40 GCAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCCc1ccco1 72326236 NCPYGUUWKXCESZ-HXUWFJFHSA-N 397.435 0.898 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnccn3)CC2)CC1 257282962 OWAYIJKNBGCETB-LJQANCHMSA-N 375.473 0.434 0 40 GCAB COc1cc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc(OC)c1OC 408622891 QDOWOLYJGKDOAJ-UHFFFAOYSA-N 394.457 1.482 0 40 GCAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(S(=O)(=O)c1cccnc1)CC2 585096239 CQNLTEZPUYRYLU-LBPRGKRZSA-N 379.442 0.420 0 40 GCAB Cc1noc(CC(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 585101307 XDZGVUXQGZAWGS-IBGZPJMESA-N 398.423 0.769 0 40 GCAB O=C([C@@H]1CCOC1)N1CCc2ccc(OCCN3CCOCC3)nc2CC1 1614929496 JYIVHHUJSCIPCY-QGZVFWFLSA-N 375.469 0.756 0 40 GCAB Cn1c(N2CCN(c3ncnc4c3ncn4C)CC2)nc2ccccc2c1=O 1888922205 MFIOLBSLSMBGRW-UHFFFAOYSA-N 376.424 0.937 0 40 GCAB Cc1ccc(NC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)cc1 5938025 QJKKRCICZOPJIQ-UHFFFAOYSA-N 376.394 0.446 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2cc3ccccc3o2)n(C)c1=O 6371144 LLTIVQAXDCUQFD-UHFFFAOYSA-N 396.359 0.606 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 7813515 ILXLOYGBDZPKIF-INIZCTEOSA-N 395.481 0.400 0 40 GCAB CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 15672184 RCOXQMHXIOEHNJ-IAGOWNOFSA-N 379.457 0.996 0 40 GCAB biogenic,in-vitro CC(C)C[C@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)N1CCOCC1 22970219 IVFZMMZDBVJQIQ-DNVCBOLYSA-N 380.489 0.570 0 40 GCAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CC(=O)NC2CC2)CC1 23256887 MLCFCYOUUVEVKP-HNNXBMFYSA-N 376.476 0.769 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ncccn3)CC2)CC1 26311516 PUEFXGWFBXFIDC-UHFFFAOYSA-N 382.490 0.122 0 40 GCAB CC(C)(C)OC(=O)NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O 43059434 KPGGKSWVSBIMSD-KGLIPLIRSA-N 391.424 0.995 0 40 GCAB CC(C)Cn1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 52855117 PRMMXRBOYQZXGI-UHFFFAOYSA-N 392.481 0.770 0 40 GCAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1 78752265 WUZURZKHWPHPPU-UONOGXRCSA-N 376.413 0.070 0 40 GCAB COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1 96113282 QWSZXGKCEBLYCJ-HUUCEWRRSA-N 393.488 0.238 0 40 GCAB biogenic,in-vitro CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1 225860804 SUBABEFOVZQMBT-UHFFFAOYSA-N 385.511 0.753 0 40 GCAB Cn1cc(CNS(=O)(=O)C[C@@H]2CN(C(=O)c3ccccc3)CCO2)cn1 521397063 WKTSFAJFHWOOJK-INIZCTEOSA-N 378.454 0.381 0 40 GCAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)[C@@H]1CCS(=O)(=O)C1 575615224 CPNWFTRVFAJOBI-LLVKDONJSA-N 386.857 0.612 0 40 GCAB O=C(NC1CS(=O)(=O)C1)[C@@H]1CN(Cc2nccs2)CC12CCOCC2 585102034 ZRGWRKBKORBYIL-ZDUSSCGKSA-N 385.511 0.285 0 40 GCAB C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)C1 595107546 XLULFSWAEDEZOM-FJWQHWMGSA-N 377.466 0.717 0 40 GCAB O=C(CN1CCOCC1)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746140 QAUSZXAESBKYAE-AWEZNQCLSA-N 376.457 0.653 0 40 GCAB Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3F)n2C)n(C)c1=O 1222728 LBQAAXVNGVNJQV-UHFFFAOYSA-N 377.401 0.841 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O 6926909 AIFYZXYYAFRRQV-VYHVBIQSSA-N 391.815 0.703 0 40 GCAB Cc1nc(O)c2nnn(C3CCN(C(=O)Cn4nnc5ccccc54)CC3)c2n1 12336939 PXGYPUCBSSPSNQ-UHFFFAOYSA-N 393.411 0.844 0 40 GCAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO 15223757 JWDROEPTMKFOIT-FRWUCIHFSA-N 398.415 0.122 0 40 GCAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)c1ccnn1C)CC3 19289161 CYRYUKKIHSRTGV-UHFFFAOYSA-N 383.408 0.846 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)cc1 23654080 CEAGQZZBCPDTQV-UHFFFAOYSA-N 397.497 0.690 0 40 GCAB CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 24696612 VWSQZSLFEVAVBP-SFHVURJKSA-N 394.541 0.817 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)CC2)N1 32760130 HKJOUKGFSICRAE-LBPRGKRZSA-N 390.465 0.801 0 40 GCAB CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C)s1 95996967 MQWAQEXSZGUNLD-LLVKDONJSA-N 376.456 0.125 0 40 GCAB Cc1ccc([C@H]2[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC(=O)N2C)cc1 96181210 NLQUKQSQUBQMRW-WBVHZDCISA-N 379.482 0.618 0 40 GCAB COCCN1CCC2(CC1)CC1(CCN(S(=O)(=O)C3CC3)CC1)N(C)C2=O 96262353 XZOCRDCKAZCJAX-UHFFFAOYSA-N 399.557 0.904 0 40 GCAB CC(C)NC(=O)CNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 226743808 RIDGMNRNWSLLGR-UHFFFAOYSA-N 391.877 0.610 0 40 GCAB COC(=O)COc1ccc(S(=O)(=O)NCCCO)cc1Br 226744678 QROYTXFWYMNHNI-UHFFFAOYSA-N 382.232 0.662 0 40 GCAB Cn1cc(NC(=O)c2cc(N)cn2C)cc1C(=O)NCCN1CCSCC1 263618655 UWAYYMBLBSACPR-UHFFFAOYSA-N 390.513 0.977 0 40 GCAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)OC 408595457 XANLEMPEFXOPBB-IZZDOVSWSA-N 378.337 0.614 0 40 GCAB CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 585124170 JHSXCRAACIZUGN-BPLDGKMQSA-N 381.458 0.869 0 40 GCAB CC(=O)N1CCC(O)(CNC[C@@]2(O)CCN(c3ccnc4cccnc34)C2)CC1 585282555 GSNPQHXJBQDLOX-NRFANRHFSA-N 399.495 0.534 0 40 GCAB C[C@H](C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)n1ccc(C(F)(F)F)n1 633552906 HNWVNUUQHHANFW-ZWNOBZJWSA-N 381.376 0.879 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565549380 VXKMGSNPRJVCPI-GXNCQQCYSA-N 385.464 0.938 0 40 GCAB O=c1ccc(-c2cccc(F)c2)nn1C1CN(S(=O)(=O)N2CCOCC2)C1 1775974770 PKHVAOWDGUXLGZ-UHFFFAOYSA-N 394.428 0.483 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1=COCCO1 4863311 HTRPRAYMZCNVRM-UHFFFAOYSA-N 384.410 0.615 0 40 GCAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC[C@H]1CCCO1 5340006 MAXVCJSBKZUWTP-CYBMUJFWSA-N 397.453 0.469 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CSc1ncc(C(=O)OCC)c(N)n1 9415008 RESVUMUUICYYMH-QMMMGPOBSA-N 399.429 0.105 0 40 GCAB CN(C)CCCNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029309 XMLJNDUIMGEFJH-OAHLLOKOSA-N 388.511 0.329 0 40 GCAB Cc1c([C@@H]2C[C@@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C 12131057 NLBSOYLOSOSANV-KBPBESRZSA-N 383.499 0.686 0 40 GCAB C[C@@H](CO)Nc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 13739021 WNCHKGNTKSTOAO-JTQLQIEISA-N 377.832 0.928 0 40 GCAB Cn1ccnc1[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCNC2=O)CC1 19291323 YKJYJZFJGRAKPF-GOSISDBHSA-N 382.468 0.679 0 40 GCAB CN1CCN(c2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cn2)CC1 23318610 WEOHKXFEDMDFEV-UHFFFAOYSA-N 393.451 0.255 0 40 GCAB C[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32778304 KDCVGBIUQUGYGH-ZDUSSCGKSA-N 395.481 0.238 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 40070333 RGJPLCPWYYFGNG-CYBMUJFWSA-N 398.460 0.129 0 40 GCAB O=C([C@@H]1CCCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O)N1CCOCC1 66486625 FPMQFUGQRASAIM-AWEZNQCLSA-N 392.456 0.091 0 40 GCAB O=C(COc1ccc2c(c1)OCO2)NCCn1nc(-n2ccnc2)ccc1=O 77196972 CXJSHVBKDLGUOU-UHFFFAOYSA-N 383.364 0.353 0 40 GCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1cccn1C)CCN(C(=O)N(C)C)C2 96036224 ZCGRIXDRBWCZGZ-IBGZPJMESA-N 375.473 0.703 0 40 GCAB CN(C(=O)COc1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257321511 WBZFNVCBBNWQNK-IIDMSEBBSA-N 399.850 0.640 0 40 GCAB OC[C@@H]1O[C@H](O[C@@H]2C[C@H](c3cccc(F)c3)O[C@@H]3CCC[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O 257340190 ZEZCCJDXBFRRDQ-CFSOAWKOSA-N 398.427 0.641 0 40 GCAB CCn1nccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 585138285 BKWVLPNUZJWXTG-UHFFFAOYSA-N 391.497 0.639 0 40 GCAB Cn1c(=O)c2cc(C(=O)N[C@H]3CCc4cc(O)ccc4C3)cnc2n(C)c1=O 683516093 VYBHIFGOABVAFO-AWEZNQCLSA-N 380.404 0.625 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(N)=O)C1 1347161 YXUDWYHKBKPWIA-SNVBAGLBSA-N 389.861 0.351 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 12886573 ZTQWVTBGVWMOKH-SFHVURJKSA-N 389.477 0.825 0 40 GCAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nnnn1-c1ccccc1 14019537 ZSBLINMFVAITMA-UHFFFAOYSA-N 386.437 0.657 0 40 GCAB O=c1cc(CN2CCN(Cn3nc4ccccn4c3=O)CC2)nc2ccccn12 22924593 CRALKEITTLZQJK-UHFFFAOYSA-N 391.435 0.279 0 40 GCAB Cn1ncc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1=O 23231403 VZQJOPNEXZKPPI-UHFFFAOYSA-N 385.449 0.839 0 40 GCAB CCC[C@H](C)NC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 32691724 AXLFJQISEBCARE-RYUDHWBXSA-N 381.454 0.962 0 40 GCAB Cn1nnc(-c2ccc(NC(=O)C(=O)N[C@@H](CO)Cc3ccccc3)cc2)n1 71333506 YTVAVKFMTSUVBX-MRXNPFEDSA-N 380.408 0.535 0 40 GCAB CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cn1 95966679 MITUBNVDTAHSCN-CQSZACIVSA-N 381.383 0.511 0 40 GCAB COCCN(C)C(=O)c1ncn2c(C3CCN(S(C)(=O)=O)CC3)ccnc12 96155728 DHOZYVFOCLIIOW-UHFFFAOYSA-N 395.485 0.587 0 40 GCAB O=C(c1ccc[n+]([O-])c1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761550 PZCISOGEAAQHIH-UHFFFAOYSA-N 384.367 0.940 0 40 GCAB COc1ccc(C(=O)N2CCN(C(C)C)[C@H](C(N)=O)C2)cc1Cn1cccn1 257279436 OGQNKUHLJZWTPZ-KRWDZBQOSA-N 385.468 0.960 0 40 GCAB CN(C)CCOc1cnccc1CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 585083762 HFNPCFRPKUHVGM-OAHLLOKOSA-N 395.485 0.658 0 40 GCAB Cc1ncnc(C(=O)N2CCOC[C@]3(CC[C@H](Cn4ncccc4=O)O3)C2)c1C 1565550718 DSRQXTCJNXIUOO-UZLBHIALSA-N 399.451 0.741 0 40 GCAB O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1624448699 RXPXOPMCPGCESY-WMLDXEAASA-N 397.435 0.998 0 40 GCAB O=C(O)c1ccc(NC(=O)[C@H]2C(=O)C(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 1624990 DEEHAUJTGQGDTL-CYBMUJFWSA-N 396.311 0.780 0 40 GCAB Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 2601134 OZFMMHLQWIXJSA-MRXNPFEDSA-N 396.325 0.532 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 3433547 MJXBLZRPBFWNEB-UHFFFAOYSA-N 386.433 0.472 0 40 GCAB COCCN(CCOC)C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5201398 ROSJTYQWIFROFV-AWEZNQCLSA-N 393.440 0.868 0 40 GCAB CN(C)CCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)COC(C)(C)C3 6663122 PIUSUFVXKHZRTE-UHFFFAOYSA-N 381.454 0.722 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cnc2ccccc2n1 6850012 ARJMSAALAIRMAW-GFCCVEGCSA-N 376.438 0.395 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 12780159 ZMMULCPLZXQPOT-LLVKDONJSA-N 382.419 0.976 0 40 GCAB Cc1nc(C2CCN(CC(=O)N(C)C)CC2)ncc1C(=O)N1CCOCC1 19751985 YIMPRZZTLOUARN-UHFFFAOYSA-N 375.473 0.525 0 40 GCAB O=C(NCCN1CCOCC1)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127429 IPEMNHWGLPLQJA-UHFFFAOYSA-N 388.512 0.463 0 40 GCAB CN(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccs1 32905456 YYBANLCDQMAUMC-ZDUSSCGKSA-N 387.465 0.726 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 77100108 WCCRWUQNPZQBID-UHFFFAOYSA-N 379.373 0.915 0 40 GCAB COc1cccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)c1 96143339 WKMDMJZIYHPFRQ-FQEVSTJZSA-N 388.468 0.570 0 40 GCAB Nc1nn2c(=O)cc(CSc3nnnn3-c3cccc(Cl)c3)nc2[nH]1 103936852 YXTLNISYGPETPW-UHFFFAOYSA-N 375.805 0.921 0 40 GCAB CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@@]2(c2ccccc2)C1 107805910 FNDURJOUAYTPMD-YOEHRIQHSA-N 375.454 0.480 0 40 GCAB Cc1cc(CN2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)n(C)n1 306131060 JVKZYHRSIHTKHP-AWEZNQCLSA-N 377.470 0.587 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 585287324 MNLFRONUNCJYLS-HXUWFJFHSA-N 396.459 0.641 0 40 GCAB Cc1ncn(CC(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c(=O)c1C 585326553 WTVDKJXFIDSPDI-UHFFFAOYSA-N 386.452 0.937 0 40 GCAB O=C(CN1CC2(CCN(C3CCCC3)CC2)OCCC1=O)N1CCOCC1 1704308044 DKTXFGCORJVKJO-UHFFFAOYSA-N 379.501 0.871 0 40 GCAB COc1ccc2c(C)c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)oc2c1OC 9184081 KXQQHVHNRPFYOO-LLVKDONJSA-N 395.433 0.964 0 40 GCAB COc1ccc(CCNC(=O)C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 9623340 JYQRIKKXSJZNAI-UHFFFAOYSA-N 380.404 0.907 0 40 GCAB biogenic O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 10448197 RPAFBFRNDLBODZ-UHFFFAOYSA-N 384.364 0.195 0 40 GCAB Cc1csc2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)n12 11476177 BIUKYGPOCUIOED-UHFFFAOYSA-N 380.451 0.525 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC(C)(C)C 11904198 VAUAZBNMYCKMEI-UHFFFAOYSA-N 376.456 0.839 0 40 GCAB COc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13532646 BUVFDFCXXFETCY-UHFFFAOYSA-N 383.412 0.495 0 40 GCAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 19766998 CNPLNFATLFCMSY-HNNXBMFYSA-N 397.501 0.591 0 40 GCAB CCOc1ccc(N2C(=O)CN(CCN(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 19796714 LZIIQOFLLWSFIH-DLBZAZTESA-N 381.498 0.461 0 40 GCAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2ccccc2)C1 40132679 PNJKOIXTYSYTCA-INIZCTEOSA-N 381.498 0.984 0 40 GCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 47031752 DXPAJYKMOLCAPG-CQSZACIVSA-N 376.456 0.509 0 40 GCAB CC[C@@H](C)C(=O)NCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 58224859 JKBHOEZNNLZDIV-LLVKDONJSA-N 375.878 0.897 0 40 GCAB CCc1ccc(NC(=O)NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)cc1 67240225 HXDKSESSXQIZKI-UHFFFAOYSA-N 389.368 0.762 0 40 GCAB CC(C)[C@H](C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1 95960999 MQTFGRFKEBTBBA-CQSZACIVSA-N 391.472 0.487 0 40 GCAB COC[C@@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)OC 95994583 QNMKXUZGBPYUDW-MRXNPFEDSA-N 378.425 0.608 0 40 GCAB CC(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nn1C 95998956 ZVEWDGXVIDXRIL-AWEZNQCLSA-N 384.502 0.810 0 40 GCAB COc1ccc(CC(=O)NCCn2nc(-n3cncn3)ccc2=O)cc1OC 96025166 YKQMBVXKUKFLJW-UHFFFAOYSA-N 384.396 0.200 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 96222971 YQEKIHJCCFOMPK-KBPBESRZSA-N 379.438 0.191 0 40 GCAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN4CCC[C@H]4C3)C2)cnn1C 102627294 WQHJUKPIGZTLOJ-CVEARBPZSA-N 395.529 0.436 0 40 GCAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H](O)c1ccc(F)c(F)c1 106525417 SWZAAWVYEJWXBG-GDGMELARSA-N 376.359 0.922 0 40 GCAB CCOc1ccc(C(=O)N2CC(S(=O)(=O)c3nncn3C)C2)cc1OCC 244909738 ATIPXXIITWCSBO-UHFFFAOYSA-N 394.453 0.911 0 40 GCAB CN(C)[C@H](CNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1Cl 576491060 MNCSVWVKLGLZID-MRXNPFEDSA-N 392.887 0.892 0 40 GCAB C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 1024345965 XSGUIACDRGAKDM-AHBIMHKDSA-N 385.424 0.198 0 40 GCAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 2134571 YRDPMULDSPSFAW-SNVBAGLBSA-N 376.365 0.440 0 40 GCAB biogenic NC(=O)c1ccsc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5204505 GDDHZSKFUUSMCP-JTQLQIEISA-N 391.405 0.970 0 40 GCAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)C[C@@H](C)O1 5450224 MFYLSGXSLHWLMG-HNYWDRBLSA-N 389.408 0.818 0 40 GCAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c1 7681929 COBNODFKXKFXEW-UHFFFAOYSA-N 388.332 0.689 0 40 GCAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 8343995 JNRRMCBFRJAMGY-UHFFFAOYSA-N 393.444 0.633 0 40 GCAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 8656812 JJLUCDQZAGNFHX-UHFFFAOYSA-N 382.424 0.541 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@H](c3ccco3)N2)CC1 10157573 ITQCDYZUDUJRAB-OLZOCXBDSA-N 378.385 0.370 0 40 GCAB CN1CCN(C(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 12029320 ZGLGOMUMDFFARU-HNNXBMFYSA-N 386.495 0.035 0 40 GCAB CC(C)NC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 12388967 UCSHSZUHBLEHTH-UHFFFAOYSA-N 397.439 0.823 0 40 GCAB CCOC(=O)C1=C(COC(=O)CCS(=O)(=O)c2ccccc2)NC(=O)NC1 14246186 NTSODCIZASRDBX-UHFFFAOYSA-N 396.421 0.524 0 40 GCAB COC(=O)CN(CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)C1CCOCC1 72305013 ARLWQLSUAQVLLR-SFHVURJKSA-N 376.453 0.957 0 40 GCAB O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCO[C@H](c2ccccc2)C1 72404291 WMCJZRHOYJWBJN-KRWDZBQOSA-N 384.436 0.680 0 40 GCAB CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(CCOC)CC1 96113000 AOOWQADRATUIKN-RBUKOAKNSA-N 394.560 0.936 0 40 GCAB biogenic,in-vitro COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C=C2 96115569 XLHBIEGUTQXRMJ-CQSZACIVSA-N 394.449 0.363 0 40 GCAB biogenic O=c1c(NCCNCCO)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101706183 HORBNFDBGMGLJN-UHFFFAOYSA-N 378.860 0.256 0 40 GCAB O=C(COc1ccccc1F)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206903098 HIZHAIMPKHOCQN-UHFFFAOYSA-N 383.387 0.924 0 40 GCAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)COCC(=O)O)C3)c2n1 257329856 XLTZPOWITKPRAO-LJQANCHMSA-N 388.424 0.439 0 40 GCAB CN(C)S(=O)(=O)[C@@H]1CN(C(=O)NCc2ccn(C)n2)C[C@H]1C(F)(F)F 554037270 VCYGVCAHRNMCLF-GHMZBOCLSA-N 383.396 0.384 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@@H](C(=O)N3CCOCC3)O[C@H]2C1 585109200 ZVYVKCYWROFOBW-JQFCIGGWSA-N 377.416 0.628 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2cocn2)CC1 585294370 ZLGPHSRZBQQJJE-UHFFFAOYSA-N 379.413 0.709 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CCCn2c(=O)[nH]c3ccccc32)n(C)c1=O 6553377 BVXWTGBZUCPUKC-UHFFFAOYSA-N 388.815 0.820 0 40 GCAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCOC)c(=O)n2C 11613321 TWNICYSJMBSRIH-UHFFFAOYSA-N 390.444 0.382 0 40 GCAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 19572656 TVHZNLGJQWDIEU-GFCCVEGCSA-N 380.470 0.204 0 40 GCAB COc1ccc(C)cc1CN1CCN(CC(=O)N(C)CC(=O)NC2CC2)CC1 22923949 GYRJFYWVCORTJD-UHFFFAOYSA-N 388.512 0.858 0 40 GCAB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 33040202 ZGCKSLNXXHPDRD-LBPRGKRZSA-N 383.470 0.936 0 40 GCAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(-n2cnnc2)c1 33201126 GPUFFJXGVBXIRK-UHFFFAOYSA-N 391.185 0.519 0 40 GCAB COC(=O)c1ccc(OC[C@@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 42757338 YRZKPYFIMTXYKM-ZDUSSCGKSA-N 397.387 0.722 0 40 GCAB CCc1c(C(=O)NC[C@H](OC)C(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 89280390 JNBAIPSMWPITPU-ZDUSSCGKSA-N 376.457 0.986 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N2C[C@@H]3OCCN(CC(=O)N(C)C)[C@@H]3C2)cc1 96248698 FSYSWGVQBVVLPH-MSOLQXFVSA-N 395.525 0.972 0 40 GCAB CNC(=O)[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCN1Cc1ccccc1 257200250 ACOPZWCKWHVSRS-MRXNPFEDSA-N 391.497 0.350 0 40 GCAB CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 548026049 SJLWANXNTAXCSS-ZMSDIMECSA-N 397.545 1.562 0 40 GCAB CS(=O)(=O)c1cc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)ccc1Cl 626532787 QUVWVSNYLRMVCI-VXGBXAGGSA-N 385.833 0.785 0 40 GCAB Cc1c([C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CCNC3)C[C@H]2C(N)=O)cnn1C 638726338 NIFFOGIOBRXQKA-UEXGIBASSA-N 381.480 0.687 0 40 GCAB C[C@H]1[C@@H](O)CCN1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1658666537 NDRFEXXOZYTMGF-GUYCJALGSA-N 381.498 0.671 0 40 GCAB COc1cc(OC)nc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)n1 1888853545 YLYPVZOQOPQPFY-UHFFFAOYSA-N 387.444 0.447 0 40 GCAB COCCNCc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 2357556 YKWDOAAXXZBLDH-UHFFFAOYSA-N 391.859 0.871 0 40 GCAB CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 3027873 ZAAHZNXZGQERIW-CYBMUJFWSA-N 389.861 0.329 0 40 GCAB NC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 3441841 AAVXKZFNADEVIS-LBPRGKRZSA-N 375.406 0.827 0 40 GCAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 9340414 OJIWRHOLYNMNEV-QGZVFWFLSA-N 388.468 0.437 0 40 GCAB Cn1c(N)c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(=O)[nH]c1=O 9789135 BZMQKEOLFQVXCC-UHFFFAOYSA-N 399.436 0.619 0 40 GCAB Nc1nccnc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10339688 ZBZOJPBLKMBHAC-UHFFFAOYSA-N 379.417 0.735 0 40 GCAB COc1ccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)cc1F 13846102 YKITZUHACVJSDD-UHFFFAOYSA-N 381.389 0.938 0 40 GCAB Cn1c(=O)c2ccccc2n2c(COC(=O)C[C@H]3C=CS(=O)(=O)C3)nnc12 16446712 GPDINVQYLMIUAT-LLVKDONJSA-N 388.405 0.573 0 40 GCAB C[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)CCO1 29878452 YFJGPFZNORTWIB-HXPMCKFVSA-N 389.408 0.516 0 40 GCAB O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccccc1 49409314 HFBDRBIBTCMTHW-UHFFFAOYSA-N 377.422 0.508 0 40 GCAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 57948655 VVHTZEVRRAXSTM-IBGZPJMESA-N 393.509 0.705 0 40 GCAB COC(=O)c1ccccc1CS(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 72301948 WDLVEDXDSQCNJR-UHFFFAOYSA-N 395.481 0.199 0 40 GCAB CCOC(=O)c1nc(Cn2cc(-c3nc(-c4cnccn4)no3)ccc2=O)no1 77199984 KHFFPMBCPWVYEO-UHFFFAOYSA-N 395.335 0.963 0 40 GCAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@H]1CCCC[C@H]1CO 95461418 BRUVMNDBELXQMG-LRDDRELGSA-N 395.481 0.733 0 40 GCAB COc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CC(=O)N(C)C3)C2)cc1 96143420 GUYQPDGZKPAAJA-FQEVSTJZSA-N 388.468 0.983 0 40 GCAB COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C[C@H]1[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12 104194530 DFPQFFFHZUYNTL-KZYAVLRYSA-N 378.377 0.944 0 40 GCAB Cc1nc(N)sc1C(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1 257342732 ZPXGMHVNLRIIPJ-QGZVFWFLSA-N 391.453 0.062 0 40 GCAB CC(=O)NCCC(=O)N1CC2(CN(Cc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514290444 ZWUHPSPJDMTGCB-RTBURBONSA-N 386.496 0.045 0 40 GCAB biogenic,in-vitro CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(F)cc1 575424659 VCGNFSITFHOLNW-VXGBXAGGSA-N 380.419 0.016 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 585287322 MNLFRONUNCJYLS-FQEVSTJZSA-N 396.459 0.641 0 40 GCAB CC1CCC(N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(CN3CCOCC3)nn2)CC1 1549162679 VDUQMVQLIDPKJU-IOPJTDPYSA-N 379.505 0.407 0 40 GCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 3831541 OHKOGUYZJXTSFX-MFYTUXHUSA-N 384.435 0.548 0 40 GCAB biogenic,in-vitro CCOc1ccc(-n2nnc3c(=O)n(CC(=O)NC[C@@H]4CCCO4)cnc32)cc1 4139926 MLZIZUYWVHTJCS-HNNXBMFYSA-N 398.423 0.671 0 40 GCAB CCCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 4357276 DDNYOZLPSFFHER-HNNXBMFYSA-N 383.470 0.456 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnn(-c2ccccc2)n1 6880755 WIKCZBQHSKTMLV-ZDUSSCGKSA-N 391.453 0.033 0 40 GCAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298252 CUSXVLGJEXPUGN-IPELMVKDSA-N 399.495 0.848 0 40 GCAB biogenic,in-vitro COc1ccc(CNC(=O)CN2C(=O)N[C@H](CCSC)C2=O)cc1OC 9483746 YVQOGJYQTHBWLX-GFCCVEGCSA-N 381.454 0.994 0 40 GCAB Cc1c(C)c2ccc(OCC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2oc1=O 12894813 IIIFOWJXSLCDDL-KBPBESRZSA-N 381.406 0.063 0 40 GCAB biogenic COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1 20745598 UDUVFKIPANWOPK-OAHLLOKOSA-N 382.420 0.989 0 40 GCAB Cc1noc(N)c1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 21731455 AHPRVIYUZQUUSX-UHFFFAOYSA-N 381.410 0.943 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)n(C)c1 23307812 JYJVLKFJBITOMC-UHFFFAOYSA-N 379.442 0.417 0 40 GCAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23763051 NTBWFFHOYMIMMF-MRXNPFEDSA-N 392.456 0.956 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nnnn3C3CC3)CC2)c1 24843044 KXFDCUPOCZSRRJ-UHFFFAOYSA-N 390.469 0.717 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)NCc2ccco2)o1 35597116 LOARGFVXLFUNSU-UHFFFAOYSA-N 391.409 0.541 0 40 GCAB COC(=O)c1cnc(NC[C@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 40153354 SMODWPULSJLXMJ-CYBMUJFWSA-N 385.442 0.480 0 40 GCAB C[C@H](C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)n1cncn1 58228061 KCUCVTOLKJFPQQ-CYBMUJFWSA-N 376.848 0.958 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 90610658 YSXAFNKDTNXIGE-OAHLLOKOSA-N 384.388 0.816 0 40 GCAB CCOc1cccnc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95999038 YAOPOWGRUHQZPC-AWEZNQCLSA-N 383.470 0.747 0 40 GCAB CC(=O)NC1(CC(=O)N2CCOC[C@@]3(CC(C(N)=O)=C(C)O3)C2)CCCCC1 257232615 GLPWWKJXXUAWFS-HXUWFJFHSA-N 393.484 0.993 0 40 GCAB CC[C@H](C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 257624736 XPFFFXIOYCKIEP-CJYONZCESA-N 396.392 0.233 0 40 GCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1 298239106 KVHYZLPKTCJAKD-CQSZACIVSA-N 385.486 0.201 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]2(CC[C@H](CN(C)C)O2)C1 306141031 VJJVLKPTQGMCGH-NVXWUHKLSA-N 386.518 0.537 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1C 575422025 LTJPJKXMZORMJI-ZIAGYGMSSA-N 376.500 0.237 0 40 GCAB COCCn1cc(N2C[C@@H](C(=O)NCc3ccoc3C(=O)OC)CC2=O)cn1 598239438 HVORKNLSOKZMPO-ZDUSSCGKSA-N 390.396 0.578 0 40 GCAB N[C@@H]1CCCCN(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1=O 643727766 KSISDVKBGXJFQS-XDNAFOTISA-N 384.480 0.599 0 40 GCAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 653496357 OMKFCWBJNDAJHG-OAHLLOKOSA-N 381.454 0.398 0 40 GCAB CC(=O)N1CCC(N2CCC[C@@]3(CC2)Cc2c(n(C)c(=O)n(C)c2=O)O3)CC1 2037846427 RDEKNJDWLQQUCA-HXUWFJFHSA-N 390.484 0.255 0 40 GCAB COC(=O)CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=c1\[nH]nc(N)[nH]1 1637832 DZJSPJKWJUJAHC-UHFFFAOYSA-N 391.862 0.837 0 40 GCAB Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(C3CC3)nc2n(C)c1=O 4139054 QUJOLABMGONEPI-UHFFFAOYSA-N 375.454 0.619 0 40 GCAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 12221169 FFVDGMGREAKIDW-GXTWGEPZSA-N 375.454 0.961 0 40 GCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCC(=O)N[C@H](CO)c1ccccc1 13690619 VDOSJCZFHBHSFN-GOSISDBHSA-N 394.431 0.822 0 40 GCAB C[C@H](O)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)O 14169188 DWGSIERYPHGXHY-WFASDCNBSA-N 384.454 0.815 0 40 GCAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034103 IRPYICWEKOXUOT-JJEGVRSWSA-N 375.400 0.725 0 40 GCAB CCS(=O)(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 24588714 OUHDOLXYSAKYRJ-CQSZACIVSA-N 382.486 0.986 0 40 GCAB O=C(CC[C@@H]1NC(=O)NC1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33023935 WAGGEDKIQRYHJG-AWEZNQCLSA-N 394.453 0.788 0 40 GCAB N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO 95951753 ICYVAINGGCXNEB-OAHLLOKOSA-N 386.456 0.152 0 40 GCAB O=C(CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1)N1CCOCC1 95959876 SYSZVNZGLIWGLP-LJQANCHMSA-N 386.496 0.658 0 40 GCAB Cn1nc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 390828939 CGWLUCBWMJMGMS-CQSZACIVSA-N 376.482 0.955 0 40 GCAB CC(=O)N1Cc2ccc(S(=O)(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)cc2C1 659928047 SQLFNHXJLKQJOD-IAGOWNOFSA-N 377.466 0.980 0 40 GCAB O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]2O1 2055725644 TTWGFBMBMKOSLQ-BHYGNILZSA-N 379.482 0.712 0 40 GCAB COc1ccccc1OCC(=O)OCC(=O)NCCN1C(=O)CSC1=O 4162293 DKENPNVKKNQTLT-UHFFFAOYSA-N 382.394 0.429 0 40 GCAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 4829785 OXTHFKCKGAOLPM-GFCCVEGCSA-N 387.440 0.942 0 40 GCAB O=C(O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CCC3 6760776 DXPPUSPWAYIATA-UHFFFAOYSA-N 379.438 0.130 0 40 GCAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnnn1C[C@@H]1CCCO1 9952445 CGIYUYRBQAHAKD-NSHDSACASA-N 395.466 0.789 0 40 GCAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 10302427 CHLXNBPIHNJHQN-LLVKDONJSA-N 375.472 0.334 0 40 GCAB Cn1c(=O)c2c(nc(SC[C@@H](O)CO)n2Cc2ccc(F)cc2)n(C)c1=O 10386317 ZNQBEZNZVMJFAQ-LBPRGKRZSA-N 394.428 0.066 0 40 GCAB COCCNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12030937 JGOAAVXMHMLZBB-LLVKDONJSA-N 379.431 0.163 0 40 GCAB CN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)s1 12758999 QIIYDSYWTPBEFE-UHFFFAOYSA-N 379.891 0.746 0 40 GCAB C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)O 12761743 BPPIBGNYRRHLDE-RNCFNFMXSA-N 390.845 0.688 0 40 GCAB CCn1c(SCC(=O)OCC(=O)N2CCNC2=O)nnc1-c1ccco1 13038793 YZUKQNNZQQZXDM-UHFFFAOYSA-N 379.398 0.745 0 40 GCAB COc1ccc(NC(=O)CN2CC[C@@]3(NC(C)=O)CN(C(C)=O)C[C@H]3C2)cc1 19713041 YCXZIHVTEQSFNV-OXQOHEQNSA-N 388.468 0.693 0 40 GCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccc1 20465217 MSLKAHOKFZASLV-IVAOSVALSA-N 382.460 0.964 0 40 GCAB biogenic,in-vitro CCN(CC)C(=O)CN1CCCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 29028227 QNBIPKWHMXSIOD-UHFFFAOYSA-N 399.495 0.799 0 40 GCAB COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c1 44890603 DFNCNQKIFMPDAV-CYBMUJFWSA-N 377.422 0.222 0 40 GCAB CNC(=O)CN1CCC(NS(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 58218116 DKXWATUDUFAJMK-UHFFFAOYSA-N 377.470 0.361 0 40 GCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1cccc2nsnc12 72402845 MCULSXGMRATYSU-LBPRGKRZSA-N 393.469 0.331 0 40 GCAB O=S(=O)(c1ccccc1Br)N1CCN(C[C@H](O)CO)CC1 84507248 WNADMXCSWMNOMJ-NSHDSACASA-N 379.276 0.109 0 40 GCAB Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)n(C)n1 96002593 VWIFAJJMPQQAPC-OAHLLOKOSA-N 381.502 0.334 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cnc(C3CC3)cc2=O)cc1 390827383 GRJRTVGELFWWAC-UHFFFAOYSA-N 390.465 0.801 0 40 GCAB COCOCCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F 585138542 ZEQWJWUEDMZYRD-UHFFFAOYSA-N 399.238 0.976 0 40 GCAB Cn1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1N 680473355 WHIQQKSUZUWKHB-UHFFFAOYSA-N 386.456 0.928 0 40 GCAB CC(=O)N[C@@H]1CN(C(=O)NCc2csc(N(C)C)n2)C[C@H]1c1ccnn1C 1615547780 MCNIRUIJQZCEQF-ZIAGYGMSSA-N 391.501 0.756 0 40 GCAB COc1cc(C)cc2oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c(C)c12 2117283 GQCOMDRQCRLKFY-UHFFFAOYSA-N 376.365 0.278 0 40 GCAB biogenic Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 3274537 NHSSKNWOIUCDBA-UHFFFAOYSA-N 398.470 0.139 0 40 GCAB CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(C)cc1 4357198 GKKZHBWXIFBZNU-OAHLLOKOSA-N 383.470 0.375 0 40 GCAB COC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(C)C 4763671 YWDCRYSZEDWOKQ-MRXNPFEDSA-N 379.413 0.343 0 40 GCAB CNC(=O)[C@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@]1(C)O3 5000472 XDZKHRZZZUCGTG-IWOXYASMSA-N 387.480 0.884 0 40 GCAB CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1 6840716 FSVJIBOEKUYNOC-DCGLDWPTSA-N 385.486 0.523 0 40 GCAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 8752767 ZXVQYQYUWMCBJV-VHSXEESVSA-N 375.472 0.684 0 40 GCAB O=C1NC2(CCCC2)C(=O)N1CCCNC1=NS(=O)(=O)c2ccccc21 10406502 XCWQMNAYLWKRML-UHFFFAOYSA-N 376.438 0.980 0 40 GCAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCCN(C)C)c3=O)cc1 12234069 STGOFMDZORBZFJ-UHFFFAOYSA-N 386.456 0.870 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1C(N)=O 12781695 KCHKZFYDIDDPDJ-UHFFFAOYSA-N 396.494 0.261 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)c4n[nH]c(=O)c5ccccc45)CC3)ncnc21 12887936 WSINZXMAHQZPLM-UHFFFAOYSA-N 390.407 0.562 0 40 GCAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12936956 AOIHSORZFLSALH-UHFFFAOYSA-N 390.483 0.550 0 40 GCAB COCCCNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 17045740 DIARXRNSTFJAEN-UHFFFAOYSA-N 381.454 0.755 0 40 GCAB Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCOc2ccccc2)n(C)c1=O 23115317 FGJJXHCFOUUCBF-UHFFFAOYSA-N 399.451 0.739 0 40 GCAB O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)N1CCNC1=O 34870170 SCWLPHLQHLJHEN-ZDUSSCGKSA-N 385.424 0.456 0 40 GCAB COC(=O)CCCNC(=O)CCNC(=O)CCNC(=O)c1ccc(OC)cc1 41157725 OXUBGJQNJUIJJZ-UHFFFAOYSA-N 393.440 0.391 0 40 GCAB COCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3nccn3C)[C@@H]2CO)cc1 72321496 WNAFBFUVPZYKNU-DNVCBOLYSA-N 388.424 0.466 0 40 GCAB biogenic,in-vitro NC(=O)[C@@H]1CC(C(=O)NC2CCN([C@@H]3CCOC3)CC2)=NN1c1ccccc1 79110216 BXQFXGRBQWEUEZ-AEFFLSMTSA-N 385.468 0.476 0 40 GCAB Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)n(C)n1 96002592 VWIFAJJMPQQAPC-HNNXBMFYSA-N 381.502 0.334 0 40 GCAB CN(C)C(=O)N1CCC(CNS(=O)(=O)c2ccc(OCC(N)=O)cc2)CC1 390831882 VRUQMJWWPUCUQV-UHFFFAOYSA-N 398.485 0.223 0 40 GCAB COc1cc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OCCN(C)C 585274392 VXBWWTRVVITNGK-WOJBJXKFSA-N 395.500 0.069 0 40 GCAB CCCn1cc(CN2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C2)cn1 1615153138 JMWWIHGWHFYQGT-WJFTUGDTSA-N 385.505 0.129 0 40 GCAB O=C(O)CCOCCOCCOCCOCCNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 1857791582 VONWCHZVTVBNSL-ULQDDVLXSA-N 385.457 0.856 0 40 GCAB CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)[C@@H]1CCS(=O)(=O)C1 3362615 MVLDTEVVLRFHMU-LLVKDONJSA-N 398.462 0.533 0 40 GCAB CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3593190 FKLLYOFOAPPZPL-AWEZNQCLSA-N 383.202 0.672 0 40 GCAB Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 9878666 KSZSKIZGTXFOTB-UHFFFAOYSA-N 389.397 0.130 0 40 GCAB CN(C)c1nc(N)nc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)n1 16337144 BGLJLCRYZAKVRP-ZDUSSCGKSA-N 380.412 0.664 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 16795562 GYWWUINXXUULCZ-RISCZKNCSA-N 397.453 0.758 0 40 GCAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 22287346 BSEUCTKDKDIJMR-UHFFFAOYSA-N 375.397 0.723 0 40 GCAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223496 GJMFIYSTLPDALF-MRXNPFEDSA-N 381.498 0.536 0 40 GCAB Cc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 36005128 NXYDIIYFOOGVGK-UHFFFAOYSA-N 391.497 0.982 0 40 GCAB Cn1c(C(=O)O)c([C@H](C(=O)O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 36356940 KIXHHKSQNCXERV-OAHLLOKOSA-N 395.437 0.579 0 40 GCAB O[C@H](COC[C@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1 58158715 QZXAQHCFYSXRBS-ZWKOTPCHSA-N 393.532 0.679 0 40 GCAB CN(C)S(=O)(=O)c1cccc(NC(=O)NCCc2nnc3n2CCC3)c1 72314271 FXCJJAIXDJOLFH-UHFFFAOYSA-N 378.458 0.839 0 40 GCAB O=C1C[C@H](N2CCN(CCO)CC2)C(=O)N1c1ccccc1Br 101274582 ZYIYQDYWIGEWBY-AWEZNQCLSA-N 382.258 0.691 0 40 GCAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC(N(C)CC(=O)NC(C)C)CC1 101802767 PIGKGEOWMZWCIU-OQKWZONESA-N 378.521 0.574 0 40 GCAB O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)c3c(F)cccc3F)C2)nn1 225633533 SJHJWIOQKVTBBT-UHFFFAOYSA-N 397.407 0.924 0 40 GCAB O=c1c2ccccc2nnn1CCNS(=O)(=O)c1cccc2nsnc12 238887613 QGFBYABAEWWFGJ-UHFFFAOYSA-N 388.434 0.775 0 40 GCAB C[C@@]1(NCCNS(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 575426243 PKFHCYITVLWASF-MRXNPFEDSA-N 383.495 0.680 0 40 GCAB CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@@H]21 581443543 DOFBKVLOGFWOTD-JKSUJKDBSA-N 387.440 0.675 0 40 GCAB Cc1snnc1C(=O)N1CCOC[C@@]2(CCN(Cc3nccn3C)C2)C1 585113559 QPLYCWOAZBIPOQ-QGZVFWFLSA-N 376.486 0.945 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(c5nccc(OC)n5)C[C@H]4C3)ncnc21 1888913749 BUEJRZZNZJUJFZ-OKILXGFUSA-N 396.455 0.844 0 40 GCAB COC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@]12C(=O)Nc1ccccc12 6756629 PJWZDPXFXHHBEE-FQEVSTJZSA-N 397.387 0.123 0 40 GCAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CC(=O)NC(C)C)C1=O 7796655 YVHFXQOETOZJNK-LJQANCHMSA-N 389.456 0.331 0 40 GCAB COC(=O)CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 8343875 NWZWXNZASIRKCF-CHWSQXEVSA-N 384.454 0.777 0 40 GCAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N[C@H]1CCS(=O)(=O)C1 9547137 DHSVVBNSLUBUIE-NSHDSACASA-N 377.422 0.025 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2ccncc2)C1 12118911 PKPCKLPKBRFAIO-CYBMUJFWSA-N 386.437 0.943 0 40 GCAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CCN(C)CC3)NC2=O)cc1 13722157 MQOHTDXOWHRKTM-HNNXBMFYSA-N 387.440 0.294 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 15971776 QVYSYXNAPWSMPT-PLDRTOJQSA-N 375.400 0.727 0 40 GCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)NCCc1ccccc1 19371374 OCDKUJHPOAVBCV-UHFFFAOYSA-N 388.431 0.973 0 40 GCAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 20674098 UREZTSVZZRVLQA-ZDUSSCGKSA-N 398.423 0.969 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)[C@H]2COc3ccccc3O2)CC1 20725840 OJTOSDWRNRANJP-XJKSGUPXSA-N 391.424 0.632 0 40 GCAB COC(=O)CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 32641254 SHAZCTLEUYCYFW-LBPRGKRZSA-N 375.830 0.908 0 40 GCAB COc1ccc(NC(=O)Cn2c(=O)c(N(C)C)c(N)n(C)c2=O)cc1Cl 32682466 WBWNWQDSOCTUIC-UHFFFAOYSA-N 381.820 0.496 0 40 GCAB CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)[C@H]1CCS(=O)(=O)C1 32842943 SOGYDEWUKFRMFS-LBPRGKRZSA-N 389.499 0.069 0 40 GCAB COCc1nnc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)s1 40288488 UJDCCLZUMAIHGL-UHFFFAOYSA-N 375.414 0.682 0 40 GCAB CN(C(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)c1ccccc1 49409333 SIZRKBGUFGKEDX-UHFFFAOYSA-N 391.449 0.532 0 40 GCAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCC(=O)N2CCCC2)c1 49549711 RMPGVYVPOYRAPC-UHFFFAOYSA-N 383.408 0.328 0 40 GCAB CCCCOc1ccc(C(=O)NCC(=O)NCCCc2n[nH]c(=O)[nH]2)cc1 72311597 ULEPFJZCPFPEJI-UHFFFAOYSA-N 375.429 0.756 0 40 GCAB C[C@@H](C(=O)N1CCOCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326422 IOOYEBIYOVWXHR-DJJJIMSYSA-N 387.440 0.193 0 40 GCAB C[C@H]1CN(C(=O)Cn2nc3n(c2=O)-c2ccccc2C2=NCCCN23)C[C@@H](C)O1 72342162 JSTCFFIAFUXRHK-OKILXGFUSA-N 396.451 0.640 0 40 GCAB Cc1cn([C@H]2CN(C(=O)c3ccc(CN4CCCC4)cc3)C[C@@H]2O)c(O)nc1=O 257237997 HJDHQIFMKWGGTD-ROUUACIJSA-N 398.463 0.911 0 40 GCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 306132571 LMNKAKFNRZZIIP-AWEZNQCLSA-N 378.458 0.375 0 40 GCAB COCCn1ccc(C(=O)N2CC3(C[C@@H](OCC(=O)N(C)C)CS3)C2)n1 575402358 BHOULFVGLOJOPS-CYBMUJFWSA-N 382.486 0.334 0 40 GCAB O=C(O)[C@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 579442094 DHCLYDWSYFBZGO-HUUCEWRRSA-N 382.438 0.406 0 40 GCAB CC(=O)N1CCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)CC1 585284748 HHZACDWBIRULJV-CTNGQTDRSA-N 389.496 0.108 0 40 GCAB COCCNC(=O)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1cc(OC)ccc1OC 2056224936 HNUQTVDEYOHUGJ-YVEFUNNKSA-N 384.454 0.620 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@H]2C1 2086896569 SFXVCEIDPVJNGB-GJZGRUSLSA-N 376.486 0.997 0 40 GCAB COc1ccccc1CNC(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 2652892 DZAYHWIKYYYOHW-UHFFFAOYSA-N 397.387 0.558 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(CN3CCCC3)cc2)n(C)c1=O 7064924 FITACBQYCUGCQD-UHFFFAOYSA-N 396.451 0.668 0 40 GCAB COCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 7814489 MWBCTBYIVREMKI-GQCTYLIASA-N 384.454 0.492 0 40 GCAB O=C(CCNc1ncccn1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13721869 AKJCBZSJROIXAB-QGZVFWFLSA-N 397.435 0.789 0 40 GCAB Cn1c(NC(=O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(=O)n(C)c1=O 19288725 HXCHYYOJUWKSEN-ZDUSSCGKSA-N 396.451 0.778 0 40 GCAB CN1CCC[C@H](NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1 19751382 NOIZAWLULWJNTK-SFHVURJKSA-N 382.464 0.989 0 40 GCAB CCN(C(=O)COC(=O)c1cn2c(C)cccc2n1)[C@@H]1CCS(=O)(=O)C1 22616269 OFBHITVDQPOMNI-CYBMUJFWSA-N 379.438 0.835 0 40 GCAB O=C1O[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)Cc2ccccc21 23102652 UAZOZHPBDSDQGR-MRXNPFEDSA-N 393.465 0.253 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1 24371279 XNDFXYHUOUDASW-UHFFFAOYSA-N 381.454 0.296 0 40 GCAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C\C(=O)O 32665847 JTLJYGVZDYEMFO-QMAVJUDZSA-N 395.799 0.645 0 40 GCAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(OC)cc1 39986040 XVLAPSLCYALQFO-UHFFFAOYSA-N 399.513 0.544 0 40 GCAB C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 40106264 ZIFXOQPQWALUKQ-LBPRGKRZSA-N 385.486 0.084 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc21 41091410 ZQKFSQSRXKUFDB-CQSZACIVSA-N 389.433 0.851 0 40 GCAB CCNC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1 72321287 UOKGTTMUJNFTBO-RHSMWYFYSA-N 378.429 0.177 0 40 GCAB biogenic,in-vitro Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2cccnc2)N(C)S(=O)(=O)N1 72335151 AQBVMBNLOMVKRC-GJZGRUSLSA-N 378.458 0.020 0 40 GCAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC)CC2)O1 96036904 BCLCQBDANFESIO-CQSZACIVSA-N 384.502 0.791 0 40 GCAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 101274359 MEHBEFLWYZMEGV-AWEZNQCLSA-N 375.381 0.791 0 40 GCAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 224914237 XEZVNQUUNZYARK-UHFFFAOYSA-N 399.454 0.674 0 40 GCAB CN1CCN(C(=O)c2c[nH]c(O)n2)C[C@H]1C(=O)NCc1ccc2c(c1)CCCO2 257209798 BRXSAGOTXHTPLS-INIZCTEOSA-N 399.451 0.513 0 40 GCAB O=C(c1ccco1)N1CC[C@@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 306130626 JLKXRJSLLRBVCY-LJQANCHMSA-N 386.408 0.928 0 40 GCAB O=S(=O)(NC[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1)C1CC1 306133887 MYONUCVLEIWMOK-GFCCVEGCSA-N 378.458 0.192 0 40 GCAB Cn1ncc(C(F)(F)F)c1C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 659765427 XLKMGSDLWFXIAW-SECBINFHSA-N 388.346 0.977 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1C(N)=O 1565522674 NCGGMCBDBSQXHH-ZDUSSCGKSA-N 383.470 0.279 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC2(CC[C@@H]2NC(=O)c2cnccn2)CC1 2055803582 MMJWUYZLXAPTBX-AWEZNQCLSA-N 380.470 0.412 0 40 GCAB CNC(=O)[C@]12Cc3c(cc4c(c3OC)OCO4)C[C@H]1N(C)C(=O)N(C)C2=O 2126218 FRMXGMRPOFLXDY-XIKOKIGWSA-N 375.381 0.147 0 40 GCAB biogenic COC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 4188497 WSGFEGINKFRDPD-UHFFFAOYSA-N 385.442 0.722 0 40 GCAB COC(CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1)OC 5250743 CFZJAKRCFMSUTN-UHFFFAOYSA-N 385.442 0.290 0 40 GCAB O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)C1=COCCO1 5895191 YIGJAFCUKZPJIA-OAHLLOKOSA-N 395.433 0.634 0 40 GCAB CC(C)[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 5937746 YPDGHNRMUXOGSK-GFCCVEGCSA-N 382.442 0.510 0 40 GCAB CCOc1ncccc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 6537141 CKPWTRCNWADHGJ-UHFFFAOYSA-N 379.394 0.923 0 40 GCAB Cn1c(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O 6758616 GPOIBILSYAQDEC-UHFFFAOYSA-N 386.452 0.428 0 40 GCAB COc1cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)ccc1NC(C)=O 7986190 FXTFMSLIODVOIW-UHFFFAOYSA-N 381.454 0.897 0 40 GCAB CCCc1cnc2c(c1S[C@H](C(C)=O)C(=O)N(C)C)c(=O)n(C)c(=O)n2C 10216876 VJXUWBXZGGXXCE-CYBMUJFWSA-N 392.481 0.723 0 40 GCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)C1=O 11360188 JTWJRXGYICVNMB-KRWDZBQOSA-N 394.453 0.395 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)N2CCN(CCO)CC2)sc2c1CCC2 20573446 CUSGEDVKMBICRU-UHFFFAOYSA-N 381.454 0.098 0 40 GCAB CCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 32916518 GTKHNBJRSKLNSY-UHFFFAOYSA-N 377.488 0.036 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC[C@H](C(=O)OCC)C1)n2C 58020003 FNXCILRPJWZPKZ-ZDUSSCGKSA-N 391.472 0.999 0 40 GCAB Cn1c(=O)c2c(nc(N3CCNCC3)n2CCCc2ccccc2)n(C)c1=O 62720592 KOBCHFXBCTVJAI-UHFFFAOYSA-N 382.468 0.476 0 40 GCAB CS(=O)(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 67896756 RWWYLYVOVNZDQS-SJLPKXTDSA-N 391.449 0.914 0 40 GCAB biogenic,in-vitro Cc1cn2cc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)sc2n1 95999040 QRGFKLQVSUKXCH-ZDUSSCGKSA-N 398.510 0.971 0 40 GCAB CN(C)CCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)CC3CC3)CC2)O1 96243741 RFWWUBPFWULYPI-INIZCTEOSA-N 389.500 0.578 0 40 GCAB Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)n1 100827120 LMHHPCYJUBLDJT-FBZUMHIXSA-N 391.225 0.881 0 40 GCAB CN1CCC(N2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)CC1 225386391 ZYKLFZKQPAVDRK-MOPGFXCFSA-N 398.507 0.139 0 40 GCAB biogenic,in-vitro CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cc(C)n(C)n1 257308065 TVGYAQVKRVSTLA-KRWDZBQOSA-N 384.484 0.599 0 40 GCAB Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc(C(=O)O)c3)CCO2)n1 577865147 JXDHHCCSFQQVFH-AWEZNQCLSA-N 380.426 0.683 0 40 GCAB COC(=O)c1ccc2nc(CN3CCC[C@@H](CNS(N)(=O)=O)C3)[nH]c2c1 595314646 VFOLPVZNFIEADM-NSHDSACASA-N 381.458 0.355 0 40 GCAB CC(C)CCN(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)c1ccc(F)cc1 643588586 ZEWLRKWNXARLIN-YYWYGQEZSA-N 385.432 0.156 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1 4119673 FKNBFDJDIAQMFR-UHFFFAOYSA-N 388.405 0.856 0 40 GCAB CCOC(=O)Cn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4384183 JLLQEHPUIHEROX-CHWSQXEVSA-N 391.472 0.475 0 40 GCAB CCOCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 8404730 WTBQLZCAMUBTBR-UHFFFAOYSA-N 386.470 0.873 0 40 GCAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 13265579 IPGIBFNWTFBBEN-AWEZNQCLSA-N 392.389 0.835 0 40 GCAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22847350 WASAULAAPKTHPT-UHFFFAOYSA-N 394.497 0.760 0 40 GCAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 23175420 XJDMNCKIQJIQGS-UHFFFAOYSA-N 377.397 0.882 0 40 GCAB CC(C)[C@H](C(=O)OCc1cc(=O)n(C)c(=O)n1C)N1C(=O)c2ccccc2C1=O 32865370 FPNFNOCSMMUMSV-MRXNPFEDSA-N 399.403 0.448 0 40 GCAB COc1cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)cc1Cl 33327160 JGEVARJKFUFLNI-UHFFFAOYSA-N 375.790 0.843 0 40 GCAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 48285759 SYAJEHXCPONVOV-LBPRGKRZSA-N 379.438 0.965 0 40 GCAB NS(=O)(=O)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)cs1 57997343 XUTFDVUSPJSOCQ-UHFFFAOYSA-N 395.509 0.077 0 40 GCAB COC(=O)Cn1cnc2nc(N3CCC[C@@H](C(=O)NC(C)C)C3)sc2c1=O 96097158 NYYTVXFMMKODQP-LLVKDONJSA-N 393.469 0.767 0 40 GCAB O=C1CCCN1CC(=O)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257270215 MTEWJMUVHKBQBG-HZPDHXFCSA-N 375.400 0.386 0 40 GCAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)[C@@H]3CCCN3C(C)=O)cc2NC1=O 585281204 GPDXZRTXDGZMQK-KBPBESRZSA-N 395.437 0.612 0 40 GCAB CN(C[C@H]1COCCO1)c1nc2c(c(N(C)C[C@@H]3COCCO3)n1)SCC2 664340382 LVAFBCJAFZHUAO-KGLIPLIRSA-N 396.513 0.828 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCN(c3nccs3)C(=O)C2)cc1 1565523813 XDCSFGSGISTSAA-UHFFFAOYSA-N 396.450 0.045 0 40 GCAB CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 3248663 RJDXALFSOBMTDZ-LBPRGKRZSA-N 380.422 0.633 0 40 GCAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(OC)cc2OC)c(=O)[nH]c1=O 6509367 YGPLKQBHGBDDJL-UHFFFAOYSA-N 390.440 0.861 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(F)cc2)c(=O)[nH]c1=O 7813951 WCVAYVOWXNFORZ-UHFFFAOYSA-N 378.404 0.890 0 40 GCAB O=C(O[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1CO)c1ccccc1 14689570 FWPNCAYVELBDRB-STEXWYFWSA-N 390.388 0.222 0 40 GCAB CCN1C[C@@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O 19526861 IHWZIDVXLFRRMK-GJZGRUSLSA-N 385.468 0.566 0 40 GCAB NC(=O)Cn1cnc(I)c1I 36047663 SUYPTZUNGBWGNF-UHFFFAOYSA-N 376.923 0.578 0 40 GCAB COCCn1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1=O 48279796 PCJCJVWIDSYGIP-UHFFFAOYSA-N 379.438 0.115 0 40 GCAB Cn1c(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)nc2c1c(=O)[nH]c(=O)n2C 63248330 JWTMZYJQCGMKFX-CYBMUJFWSA-N 398.423 0.690 0 40 GCAB CNC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)n1 77196604 GCIAIQJPCCJQAT-UHFFFAOYSA-N 387.381 0.714 0 40 GCAB COc1ccc(-c2noc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1OC 79501807 OMTZDPANGGAMTQ-GFCCVEGCSA-N 395.437 0.990 0 40 GCAB CN1Cc2c(C(=O)NC[C@H]3CCCO3)ncn2-c2ccccc2S1(=O)=O 96266104 COSBBFKOAQZJDV-GFCCVEGCSA-N 376.438 0.915 0 40 GCAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904168 ACZUIECQSRBZDK-UHFFFAOYSA-N 379.380 0.748 0 40 GCAB O=S1(=O)C[C@@H](O)[C@H](N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)C1 575423753 QCHTYNOVFKFDHI-HZPDHXFCSA-N 383.447 0.745 0 40 GCAB CN(C)C(=O)[C@@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1 585285258 WUBIKFYSVIRZGQ-OAHLLOKOSA-N 375.535 0.353 0 40 GCAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)COc3ccccc3)C2)C1 604381734 MBSHZYNGTPOMFY-QGZVFWFLSA-N 387.480 0.845 0 40 GCAB biogenic,in-vitro CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C[C@@]12CCOC2 1615589211 MMCPVSOUYQVFKQ-GOSISDBHSA-N 381.498 0.630 0 40 GCAB CCOC(=O)C1=NN=C(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1775967974 HLBLZORWOFFQSW-UHFFFAOYSA-N 388.446 0.590 0 40 GCAB CCCCOC[C@H](O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 2070216 NFNYCIRXSFCBEW-MRVPVSSYSA-N 375.223 0.363 0 40 GCAB O=C(O[C@H]1CCOC1=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 4950683 ZMEHKQXKDJGOFX-ZDUSSCGKSA-N 378.406 0.706 0 40 GCAB CCOc1ccc(N2CCn3c2nn(CC(=O)NC(C)(C)C)c(=O)c3=O)cc1 8849532 CTSUZQCBOIRAAN-UHFFFAOYSA-N 387.440 0.870 0 40 GCAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(C(=O)CCN)CC1)O2 12365516 VFSYLQQNAWEIHE-UHFFFAOYSA-N 381.498 0.859 0 40 GCAB COCCN1C(=O)C(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O 12750759 JPICTQISCVIQCV-UHFFFAOYSA-N 389.347 0.274 0 40 GCAB NC(=O)c1ccsc1NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 14235624 NVZSGWMMIUHDNM-UHFFFAOYSA-N 388.453 0.705 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CNCCOc2ccccc2F)cc1 16695452 VWQBKWAUHSQGIE-UHFFFAOYSA-N 381.429 0.758 0 40 GCAB COCCc1nnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)s1 19289822 UBASTTMMNMATDL-UHFFFAOYSA-N 383.455 0.718 0 40 GCAB COc1ccc(-c2noc(CN3CCN(Cc4nc(N)nc(N)n4)CC3)n2)cc1 22827402 JKRGMUKNRMSXGL-UHFFFAOYSA-N 397.443 0.412 0 40 GCAB CC(C)C(=O)NCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 22988429 LKXLLRMZTQUAEO-UHFFFAOYSA-N 384.454 0.510 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)CCN1 24536759 FKOSTCRAPQWJMN-UHFFFAOYSA-N 399.432 0.936 0 40 GCAB COc1cccc(C[C@H](C(=O)NCCC(=O)N2CCCC2)n2nnnc2C)c1 40120724 WEPBBVIWBHPMFC-QGZVFWFLSA-N 386.456 0.903 0 40 GCAB Cc1cc(NC(=O)CCN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)no1 58299090 YPYIEUOTTMHNKT-GOSISDBHSA-N 385.380 0.878 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](O)C3CC3)cc2)C[C@@H](C)O1 79106375 PRSDKPGZKPDOEE-AHIWAGSCSA-N 382.482 0.985 0 40 GCAB CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O 95439474 SPWBVWRZXMMPKB-QGZVFWFLSA-N 388.384 0.196 0 40 GCAB NC(=O)c1cn(C2CN(C(=O)/C=C/c3cc(Cl)c4c(c3)OCO4)C2)nn1 95997897 APNVTAJYLVDHNB-OWOJBTEDSA-N 375.772 0.856 0 40 GCAB CN(C)C(=O)CN1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251934 CGGGRSGTXNWWJD-UONOGXRCSA-N 379.486 0.083 0 40 GCAB CCc1cc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)on1 585290396 QUNUWNRASPTJFX-SJORKVTESA-N 381.454 0.123 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 6113199 SAPPQZUBZSQFCJ-AWEZNQCLSA-N 388.511 0.617 0 40 GCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O 6862047 TVYPCGXWKZGMDG-QGZVFWFLSA-N 398.341 0.879 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 7987101 XUHAJZYFEKXBBG-LBPRGKRZSA-N 378.447 0.140 0 40 GCAB Cc1cccc(Cn2c(CN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 13816635 FMHUINWFPSQHTO-UHFFFAOYSA-N 383.452 0.623 0 40 GCAB CC(C)(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228111 SJQGNJZAHKUENE-UHFFFAOYSA-N 383.470 0.238 0 40 GCAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1)C(=O)OC 36575297 LQASKYIBVYEDEW-CZUORRHYSA-N 387.396 0.567 0 40 GCAB biogenic NS(=O)(=O)c1ccc(Br)c(C(=O)OCCN2CCCC2=O)c1 50715814 SKQBQNNOGNSCIS-UHFFFAOYSA-N 391.243 0.876 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCC1 58195562 HHCGAGPXMRTUKR-JTQLQIEISA-N 375.472 0.060 0 40 GCAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnn(C2CCOCC2)c1 95432597 BCUDTORHXCROSC-UHFFFAOYSA-N 384.380 0.534 0 40 GCAB Cc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n1 96124127 HAPHEVOXRAYFIO-INIZCTEOSA-N 395.471 0.903 0 40 GCAB COC(=O)C1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225798914 RYVXGFRWHMPXIA-UHFFFAOYSA-N 384.454 0.873 0 40 GCAB Cc1cn([C@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C[C@]2(C)O)c(=O)nc1O 257242988 IFBUQQVKSQMRMV-KXBFYZLASA-N 389.456 0.754 0 40 GCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1 306132082 KXRKGDGPNAYOPM-LLVKDONJSA-N 379.442 0.570 0 40 GCAB O=S1(=O)C[C@H]2N[C@H]3CS(=O)(=O)C[C@@H]3N(Cc3ccccc3Cl)[C@H]2C1 575421547 IYSTZUSYCFDMRV-XGUBFFRZSA-N 390.914 0.076 0 40 GCAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(S(=O)(=O)N(C)C)C2)C1 1251064538 RBNJYMRMVBWGOG-QGZVFWFLSA-N 395.485 0.457 0 40 GCAB C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)CCO1 1512453375 QIZPASUGZLFOQR-OLZOCXBDSA-N 378.477 0.617 0 40 GCAB O=C(COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)NC1CC1 5435781 LSULXQFFRMHERD-UHFFFAOYSA-N 391.449 0.669 0 40 GCAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 6527407 WRYGLBFLHNZRLB-TZMCWYRMSA-N 394.501 0.740 0 40 GCAB COc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1S(=O)(=O)NC1CC1 6537188 JVGXJAQYLDADQG-JTQLQIEISA-N 382.438 0.960 0 40 GCAB CC(=O)Nc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 6637072 ASVVMDXYQMAJIU-UHFFFAOYSA-N 389.799 0.928 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 8040279 BKIPSSFKMKPRQJ-KRWDZBQOSA-N 394.453 0.836 0 40 GCAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3cccnc3)cc2)C1=O 11859322 AFSVLLJWLYWUIF-GFCCVEGCSA-N 395.462 0.873 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2ccccc2)N(C)S(=O)(=O)N1 12131443 WDIPPJXISUZUJZ-JKSUJKDBSA-N 377.470 0.625 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)NCc2cccc(C(F)(F)F)c2)n(C)c1=O 12541952 GKMWKZIZBDEGNB-UHFFFAOYSA-N 395.341 0.769 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)c2ccccc2)c1 12972650 GBRYWZGVNLXRLA-UHFFFAOYSA-N 391.449 0.835 0 40 GCAB CCCNC(=O)CN1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 18181821 MASHFERPBZXFCR-UHFFFAOYSA-N 383.474 0.010 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1 24688864 IUOGXWGUQAJJBC-UHFFFAOYSA-N 383.470 0.258 0 40 GCAB COCCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826507 FKVGYOCSWLBFDK-IRXDYDNUSA-N 394.493 0.697 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(CC(=O)NC2CC2)c2ccccc12 36741501 NMYZERDHMUHLMQ-SFHVURJKSA-N 398.463 0.783 0 40 GCAB COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@@](O)(Cn3cccn3)C2)cc1 72354488 QFTBPRJXFJROPI-FQEVSTJZSA-N 386.452 0.556 0 40 GCAB C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 95831479 HRSGCYGUWHGOPY-OCOMMVLDSA-N 397.468 0.305 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnccn3)C2)cc1 225797644 OZPZNEDPODBQQE-ZDUSSCGKSA-N 378.410 0.183 0 40 GCAB COc1cccc(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 225841408 UGGXFQRZJRZHRY-UHFFFAOYSA-N 397.497 0.965 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4Cl)ncnc32)[C@H](O)[C@H]1O 247865875 ONONMLMFXBFTIS-VFFTVRQLSA-N 377.788 0.835 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cn(C)nc3C)CC2)CC1 257320977 VZOXCODEMFRUFQ-FQEVSTJZSA-N 391.516 0.686 0 40 GCAB CN(C)C(=O)[C@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 306143967 YSABQMCKEJCPHD-ZDUSSCGKSA-N 385.472 0.664 0 40 GCAB Cc1noc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 578243936 XPGLOZAXXZMWSM-GWCFXTLKSA-N 396.473 0.759 0 40 GCAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@H](CN1CCOCC1)C2 585104092 LKQLAOXPIAUYNS-INIZCTEOSA-N 381.498 0.974 0 40 GCAB COc1ccnc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1F 618639606 BISAOFCREOASEE-CYBMUJFWSA-N 380.420 0.026 0 40 GCAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 630226300 WRXGWCGGMVNEFH-HZPDHXFCSA-N 380.489 0.922 0 40 GCAB Cn1cc(CN(C(=O)Cc2cccc(F)c2F)[C@H]2CCNC2)c(=O)n(C)c1=O 648117592 DZCMDTNQDUBZRX-AWEZNQCLSA-N 392.406 0.295 0 40 GCAB Cn1c(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)cccc1=O 1565555135 SYBNULZHNBCNEY-YJBOKZPZSA-N 375.469 0.727 0 40 GCAB NC(=O)C1CCN(C(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)CC1 2037915919 BBFYQQXMNCRMJG-FQEVSTJZSA-N 393.459 0.755 0 40 GCAB CC(C)c1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4139017 UJDRDNVOGFFTAI-UHFFFAOYSA-N 393.469 0.102 0 40 GCAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 5755077 ABFLCXXJEITOGZ-CHWSQXEVSA-N 394.424 0.613 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2=NNC(=O)CC2)c1 14183384 YWNHMBXBWUEZNM-UHFFFAOYSA-N 382.442 0.930 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccccn2)cc1 20769016 VMYAIWAKFRLTJG-UHFFFAOYSA-N 376.438 0.265 0 40 GCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 33579695 GWLQEMNWCUOOMH-GJZGRUSLSA-N 391.449 0.827 0 40 GCAB CC(C)CCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@H]12 35457081 RQVIOHJGPCAFPM-AGHFMXFDSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro C[C@@H](NC(=O)c1ccoc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 48237401 DTUCDIMBMMQKOH-CYBMUJFWSA-N 391.449 0.907 0 40 GCAB Cc1cc(NC(=O)COc2coc(C)cc2=O)n([C@H]2CCS(=O)(=O)C2)n1 72403475 WOMOWIASPVIUSE-LBPRGKRZSA-N 381.410 0.830 0 40 GCAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)o1 96225690 JZUKNODPQDQYSS-IBGZPJMESA-N 376.457 0.757 0 40 GCAB CC(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 97162148 PPWWCKBKUANITB-UHFFFAOYSA-N 378.414 0.546 0 40 GCAB CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)Nc1nccs1)C(=O)N2 102882783 NVSMKGQZRLETHY-SECBINFHSA-N 377.426 0.868 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCc1nc(-c2ccc[nH]c2=O)no1 225803506 MZDXRKHWMRMBJQ-UHFFFAOYSA-N 378.348 0.451 0 40 GCAB Cc1cc(O)nc(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)n1 239593085 DOFNGVOCURYENG-UHFFFAOYSA-N 397.501 0.247 0 40 GCAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CN3CCOCC3)ccnc12 257315435 VBJBJBGFLDYENH-HNNXBMFYSA-N 386.456 0.475 0 40 GCAB COCCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl 408635899 JFJRGVIUFYLAKA-UHFFFAOYSA-N 394.877 0.796 0 40 GCAB Cn1cnc([C@@H]2CN(S(=O)(=O)c3ccco3)C[C@H]2C(=O)N2CCOCC2)c1 1614401357 OAGKTJNKVDBZKH-ZIAGYGMSSA-N 394.453 0.276 0 40 GCAB COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 6542154 XTGAEEWIVRNKSM-UHFFFAOYSA-N 377.353 0.285 0 40 GCAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(N)=O)cc1 9827414 YTBAVTVFCCWQRD-UHFFFAOYSA-N 391.453 0.341 0 40 GCAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)C[C@@H](C)O1 12645236 MFYLSGXSLHWLMG-CLUVUEOHSA-N 389.408 0.818 0 40 GCAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@H]3CCCO3)C1)C2=O 19700004 DSNRWAAQBNYLJH-HZPDHXFCSA-N 392.500 0.953 0 40 GCAB CC(=O)[C@@H](C)n1c(CN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 20029244 JWFHZPWCTJXYPS-IJLUTSLNSA-N 377.445 0.193 0 40 GCAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)c1 20725968 QRNDLKBYCJRZQC-HNNXBMFYSA-N 382.420 0.989 0 40 GCAB CC[C@@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229486 SRUMOXJXJZONNM-CYBMUJFWSA-N 383.470 0.238 0 40 GCAB Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 30698532 GEOQWJAXVBAJEH-UHFFFAOYSA-N 396.513 0.010 0 40 GCAB COc1cc2ccccc2cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 33403941 YPDWRRZZPYFGTQ-UHFFFAOYSA-N 397.387 0.868 0 40 GCAB O=C(Cc1ccc2c(c1)CCCC2)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 40094496 ZFOUIRLQJSMCDK-QGZVFWFLSA-N 378.494 0.918 0 40 GCAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)CN1C(=O)CCC1=O)n2C 100878870 YNWXYJSPQRUPJI-ISLYRVAYSA-N 375.406 0.993 0 40 GCAB CSCC[C@@H](NC(C)=O)C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782907 BYNDEEYVGOSVLH-OAHLLOKOSA-N 392.456 0.976 0 40 GCAB Cn1cccc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)c1=O 1565554606 CHPWEWRFIGZDAY-CRAIPNDOSA-N 375.469 0.727 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NC2CC2)cc1 4569448 KVLLYKPJJXQBNM-ZDUSSCGKSA-N 381.454 0.243 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)N1CCN(C(=O)c2cccs2)CC1 6848933 GJUXNVBDZXARLM-UHFFFAOYSA-N 383.433 0.838 0 40 GCAB O=C(NCCO)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219859 KQEFZFJXJCOLGR-UHFFFAOYSA-N 398.828 0.001 0 40 GCAB COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3c(cnn3C)c1=O)CC2 11403410 FOGYOOAAMZRFLW-UHFFFAOYSA-N 383.408 0.732 0 40 GCAB CC(=O)N[C@H]1CNC2(CCN(S(=O)(=O)c3cn(C(C)C)nc3C)CC2)C1 19704221 OPPGLNQHHKPBTP-OAHLLOKOSA-N 383.518 0.794 0 40 GCAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCCN(S(C)(=O)=O)CC2)c1 24924315 PDCHDUDZZZRJAL-AWEZNQCLSA-N 399.513 0.848 0 40 GCAB O=C(C[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]cn1 31806862 QIFAPUBHIVMSAB-ZDUSSCGKSA-N 385.380 0.512 0 40 GCAB Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 32754644 SIEWEJXCMOIKHG-UHFFFAOYSA-N 393.513 0.189 0 40 GCAB Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)nnn1-c1ccc2c(c1)OCCO2 67135277 KNFJREKWBKWGMT-KRWDZBQOSA-N 392.437 0.654 0 40 GCAB COCc1cc(=O)n(CC(=O)NCc2ccc(C)o2)c(N2CCOCC2)n1 67319496 MFFKBIZEPAJWHG-UHFFFAOYSA-N 376.413 0.444 0 40 GCAB Cn1c(=O)c2c(ncn2CCN[C@H](C[S@@](C)=O)c2ccccc2)n(C)c1=O 95462662 BSBARUDAOFJNGK-ASHKIFAZSA-N 389.481 0.143 0 40 GCAB COc1cccc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CC(=O)N(C)C3)C2)c1 96143419 QPPRIJLGIDRALO-HXUWFJFHSA-N 388.468 0.983 0 40 GCAB Cn1ccc2cc([C@@H](O)CNC(=O)N3CCN(S(C)(=O)=O)C3=O)ccc21 238819238 CFLQVVIGBWFUBW-AWEZNQCLSA-N 380.426 0.619 0 40 GCAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1 1614927837 CZPWAFSCSZREBZ-ZDUSSCGKSA-N 383.437 0.718 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2cnc(-c3ccccc3)nc2)NC(=O)NC1=O 1616035233 UPSQIMCBWOLPQR-LJQANCHMSA-N 391.391 0.342 0 40 GCAB Cc1cc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)n2ncnc2n1 1889175222 IMSDMGLTQPDDQT-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB O=C(OC[C@@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 5083210 HHSKNLJWHGXWPK-MUPNANLLSA-N 390.388 0.222 0 40 GCAB COCCN1CC2=C(C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)NC(=O)N2 7736453 GLBXWCNREWDAJD-HNNXBMFYSA-N 377.397 0.809 0 40 GCAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)n3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 12507123 KRHUKYDJUZCPIV-LLVKDONJSA-N 395.419 0.787 0 40 GCAB CN(CCc1ccccn1)C(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 19747368 SYKVFCLKVSDLJV-KRWDZBQOSA-N 384.436 0.322 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2c1CCC2 20573716 QNXYEHHNKSRWKN-UHFFFAOYSA-N 395.481 0.800 0 40 GCAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 21011167 DCMOBOOJRDQCCG-UHFFFAOYSA-N 398.470 0.483 0 40 GCAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 25384699 AXGNVTKOKODPHY-UHFFFAOYSA-N 383.451 0.553 0 40 GCAB CC(C)[C@@H]1NC(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 40067377 PXXLREINXJQNCR-AEFFLSMTSA-N 388.468 0.580 0 40 GCAB Cc1nc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C 40160059 DNUHSJQEKLMBQH-UHFFFAOYSA-N 376.442 0.926 0 40 GCAB O=C(Cc1csc(-n2cccc2)n1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 61719542 QLTIVYAHVDPGKX-OAHLLOKOSA-N 394.522 0.808 0 40 GCAB CC(=O)N1CCN(C(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 70640260 DZFRYBBADGJDRI-AWEZNQCLSA-N 387.358 0.546 0 40 GCAB COc1ccc(S(=O)(=O)C2CN(C(=O)Cn3cnc(C)c(C)c3=O)C2)cc1 96378117 WFAIUSQHOHMPCH-UHFFFAOYSA-N 391.449 0.553 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)Cn3cc(C)cn3)CC2)CC1 257304000 SJRCSTNEBPLCFM-HXUWFJFHSA-N 391.516 0.536 0 40 GCAB O=C(O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCC3(CF)CCOCC3)CC2)C1 652096562 KGQKXPDMFZGQLK-CYBMUJFWSA-N 385.436 0.860 0 40 GCAB CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 1565556392 GKCXMGWWYOCGOS-NVXWUHKLSA-N 375.487 0.339 0 40 GCAB O=C(C1CC1)N1CCCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1654988889 JMEGXFRJVARKBE-ZDUSSCGKSA-N 378.516 0.085 0 40 GCAB COCCn1cnc2c(N3CCN(c4ncnc5n[nH]cc45)CC3)ncnc21 1888941640 SVJNWRSOXFDSLM-UHFFFAOYSA-N 380.416 0.466 0 40 GCAB Cc1nc2ccccn2c1C(=O)N1CC[C@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2C1 2055715928 MKTAOOPXJPSCKD-SOUVJXGZSA-N 392.481 0.669 0 40 GCAB COc1nc(N(C)C)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1 857312 SUUZPFLYUBWJLT-UHFFFAOYSA-N 389.397 0.036 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC2=O)cc1 4084424 KCHJYJUWWYSTBK-SJCJKPOMSA-N 391.424 0.390 0 40 GCAB biogenic Cn1cnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6063548 YNULCAQMYHEQDA-UHFFFAOYSA-N 382.467 0.811 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1C 6202951 VAUDVTGSZVTEIA-UHFFFAOYSA-N 383.470 0.348 0 40 GCAB CN(CCCC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(F)cc1 10025133 BJINNRJAOGSVBY-UHFFFAOYSA-N 385.461 0.950 0 40 GCAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCC(OC)OC)[C@@H]4C2=O)cc1 13623620 OFHUHVDPVRUHFV-WVSUBDOOSA-N 388.420 0.717 0 40 GCAB CCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCO2 14396782 ONOYKBWXFOYPHA-UHFFFAOYSA-N 399.469 0.020 0 40 GCAB CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)cc21 19663749 KWRORHAJLOABMN-AWEZNQCLSA-N 394.497 0.535 0 40 GCAB COCCN1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 23127344 WIFYWUHBPUIEAP-UHFFFAOYSA-N 377.441 0.871 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n(C)c1 23458619 CBEYLLWMBMDUII-UHFFFAOYSA-N 386.474 0.626 0 40 GCAB CCN(C(=O)[C@@H](C)N1CCN(Cc2cc(C)no2)CC1)[C@@H]1CCS(=O)(=O)C1 32843194 RLUFWQDIMTVWKG-HZPDHXFCSA-N 398.529 0.525 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCN2CCOC2=O)c(C)c1 84142046 FXSQDJQAKGHACY-UHFFFAOYSA-N 383.470 0.882 0 40 GCAB CC1=NN(Cc2ccccc2Cl)C(=O)[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901815 AUZWIKKLTFHBGY-TZMCWYRMSA-N 383.857 0.978 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cccc(O)n3)CC2)CC1 257291250 QGGFHGDENOGTRZ-FQEVSTJZSA-N 390.484 0.745 0 40 GCAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 2055794307 DWHGHRFUGMGVCG-YLJYHZDGSA-N 386.452 0.981 0 40 GCAB COC(=O)C[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)OC 2154819 AXQDYRNYPVQJIH-AVGNSLFASA-N 393.465 0.247 0 40 GCAB biogenic,in-vitro NC(=O)NC(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3379095 ZATGSSUFWJYBGM-MEDUHNTESA-N 381.385 0.454 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 4269663 HPCNNFRNPKCVGM-AWEZNQCLSA-N 388.511 0.976 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(S(=O)(=O)c2cccs2)CC1 4276590 KDZVFUATCDSMJF-GFCCVEGCSA-N 392.524 0.452 0 40 GCAB CC(=O)N[C@@H](COC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O 4990524 KQLKRKAMQRLYLO-JJXSEGSLSA-N 389.401 0.069 0 40 GCAB CCc1cccc(OC[C@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 7425609 MTNVOTZEOYKXJX-CYBMUJFWSA-N 387.440 0.492 0 40 GCAB CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccc2OC)CC1 9570283 UZPCIYWMYIBXOO-UHFFFAOYSA-N 391.515 0.086 0 40 GCAB Cn1cccc1C(=O)NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 9728983 ZYTAYTGHWIOKOX-SNVBAGLBSA-N 398.466 0.434 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 12131235 WYPANGDBBIBPBM-QWHCGFSZSA-N 398.876 0.995 0 40 GCAB Cc1nc([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c(=O)c1C 19555444 BMWQZZKQMZOCLD-CQSZACIVSA-N 382.486 0.722 0 40 GCAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31604546 MYRAGDTUYZMJAP-KRWDZBQOSA-N 395.463 0.978 0 40 GCAB COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318352 LKIBMBPWBKUTAD-SFHVURJKSA-N 386.452 0.940 0 40 GCAB O=C(CN1CCCCC1=O)NC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 79021425 CCSOTORDQKIUIR-INIZCTEOSA-N 392.500 0.366 0 40 GCAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)c4ccncc4)CCO3)nc2n(C)c1=O 257322329 WFMZYWURYAIAHL-OAHLLOKOSA-N 381.392 0.241 0 40 GCAB Cn1ccc(C(=O)N2CC[C@]3(CCn4ncnc4[C@@H]3NC(=O)C3CCC3)C2)n1 306136987 QIGGPULQUNOJSM-KXBFYZLASA-N 383.456 0.905 0 40 GCAB CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/c3ccnn3C)CC2)OC[C@]1(C)O 585289686 LWNMNTAPYSPELY-NCWIEVAOSA-N 376.457 0.471 0 40 GCAB O=C(CN1CCCC[C@H](O)C1=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 644293078 ODEWSPDWDNDLTD-INIZCTEOSA-N 393.871 0.998 0 40 GCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cncnc2)CC1 1772595354 OXXMYQXVDGIUED-QGZVFWFLSA-N 384.484 0.277 0 40 GCAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(S(=O)(=O)N2CCOCC2)C3)nc1 1888881851 PYWQBFXGSWFNQI-RDJZCZTQSA-N 382.486 0.843 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5nccn5C)C[C@@H]4C3)n1)CCC2 1888890117 TTWQRJPOXJDEOM-KBPBESRZSA-N 388.497 0.764 0 40 GCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCCC2=O)c1 3518381 DMBZLBWNQNVVFB-UHFFFAOYSA-N 388.829 0.896 0 40 GCAB NC(=O)c1nc(-c2cccnc2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 4518808 BFVVWHWATZCYNF-UHFFFAOYSA-N 376.332 0.998 0 40 GCAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 7307221 LVFYLSBTZVEIAH-INIZCTEOSA-N 376.390 0.899 0 40 GCAB CCCCn1cnc2c1c(=O)n(CC(=O)NC(=O)NCC)c(=O)n2CC(C)C 7738245 FHAKXFZIVBJCQP-UHFFFAOYSA-N 392.460 0.662 0 40 GCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 13682911 GEXJYUGJPVNQRQ-UHFFFAOYSA-N 397.482 0.887 0 40 GCAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CN3CSCC3=O)ncc2C1 19018514 HMXJDORILRXMFM-HNNXBMFYSA-N 389.481 0.578 0 40 GCAB Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc([C@H]2CCCN2)n1 19698002 PHGGUNMMQJKXJT-QGZVFWFLSA-N 395.529 0.514 0 40 GCAB CCCNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OC 23510947 RUNZMVVBPFWWTK-UHFFFAOYSA-N 399.513 0.836 0 40 GCAB CNC(=O)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 47262013 FCOHNQUQJDTWJO-SNVBAGLBSA-N 398.261 0.950 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C=Nc3ccccc3S2(=O)=O)CC1 48279273 RGWXQDBIRBYDIA-UHFFFAOYSA-N 380.426 0.651 0 40 GCAB CNC(=O)c1ccc(/C=C/C(=O)N2CCN(CCN3CCNC3=O)CC2)cc1 58313081 XFVJYIJDGMLKNN-QPJJXVBHSA-N 385.468 0.229 0 40 GCAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)[C@@H]2CCC(=O)N2)n1 72352083 NFUASSHLMKOEKU-KRWDZBQOSA-N 381.436 0.652 0 40 GCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCCO)c2cc(Br)ccc21 95346305 UWFSGLMLSUATKB-GFCCVEGCSA-N 384.230 0.472 0 40 GCAB COC[C@@H](C)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108367148 DVNGAJBVOFYLCX-PMPSAXMXSA-N 381.498 0.533 0 40 GCAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1ncccc1=O 206802865 SRMLKCFOYNKLCQ-GXTWGEPZSA-N 375.356 0.604 0 40 GCAB Cn1nnnc1SCC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782015 LFQSQRBDVKCRPC-UHFFFAOYSA-N 375.389 0.034 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)CC1 252508341 XKQNSUHEEYOLTM-UHFFFAOYSA-N 399.492 0.620 0 40 GCAB COc1ccc(C(=O)N2CCN(c3nc4nc(C)cc(=O)n4[nH]3)CC2)cc1F 390826943 CWGFZFKWZBVUCO-UHFFFAOYSA-N 386.387 0.836 0 40 GCAB O=C(CN1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1)Nc1nncs1 541730029 GICLPQWEGHFVMC-UHFFFAOYSA-N 387.465 0.894 0 40 GCAB O=C(N1CCN(CCn2cncn2)CC1)N1CCN(Cc2ccccc2)CC1 639840258 MXIVVPDYNYMEMB-UHFFFAOYSA-N 383.500 0.834 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccsc2Cl)CCO1 663026252 ODILZOBKCDZNED-SECBINFHSA-N 396.874 0.589 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2cncc(C)n2)CCO3)nc1 1565541699 RBIHQFKIAQNNRF-YLJYHZDGSA-N 398.467 0.560 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)CC1 1888890469 YBIUUNNFFQMFPW-QGZVFWFLSA-N 392.481 0.694 0 40 GCAB NC(=O)c1cc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2)ccn1 1889186986 PCPXGINFMHHANA-CYBMUJFWSA-N 380.404 0.823 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2nccs2)CCO3)C1 2056226283 OLVRSMOPDDTOBQ-GLJUWKHASA-N 394.497 0.227 0 40 GCAB CCOc1ccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 793279 PGTKOOCZFGRATD-ZDUSSCGKSA-N 397.497 0.964 0 40 GCAB COC(=O)C(C(=O)OC)C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 4114142 MQKIUSNYAGLHMZ-ONVNHDMNSA-N 385.210 0.577 0 40 GCAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 7777735 XKXLHRVRLSVQCK-MRXNPFEDSA-N 380.408 0.953 0 40 GCAB Cn1c(=O)c2[nH]c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2n(C)c1=O 10342260 SLUZSVORYUPZGU-UHFFFAOYSA-N 386.387 0.062 0 40 GCAB O=C(NCCn1ncccc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 11856302 KGHUDWSICCMODJ-UHFFFAOYSA-N 376.438 0.458 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12914898 KGIRQKDERLTAJK-LBPRGKRZSA-N 393.421 0.197 0 40 GCAB Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 22916711 RIMKXYNAOJQFQV-UHFFFAOYSA-N 396.513 0.202 0 40 GCAB Cc1nc2sc(C(=O)OCc3nc(N)nc(N(C)C)n3)c(C)c2c(=O)[nH]1 23076100 GNRCJXHDWBRRJK-UHFFFAOYSA-N 375.414 0.792 0 40 GCAB COC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 23191278 IYKDKJOLVPRBKE-UHFFFAOYSA-N 394.391 0.746 0 40 GCAB CCCCn1c(S[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n[nH]c1=O 32776159 XTIYGWMCNPWLMY-NWDGAFQWSA-N 390.531 0.888 0 40 GCAB O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(Cc1cccnc1)C1CC1 32826870 FVQBOLOAHXFRKQ-GOEBONIOSA-N 377.466 0.608 0 40 GCAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 35898142 RHORPQSFVXSMJQ-RQJABVFESA-N 388.380 0.876 0 40 GCAB COc1cc(C(=O)Nn2ccc3c(nnc4ccnn43)c2=O)cc(OC)c1OC 40388111 RPKYHKAHTVSMFG-UHFFFAOYSA-N 396.363 0.849 0 40 GCAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2-n2cncn2)C1 48234554 IWCVEKOKKPBJRX-OAHLLOKOSA-N 392.485 0.730 0 40 GCAB CN(Cc1ncc(C(=O)O)c(N2CCOCC2)n1)S(=O)(=O)c1ccccc1 49469402 AMHCVHKOOBLXSB-UHFFFAOYSA-N 392.437 0.832 0 40 GCAB O=C(Cn1ncccc1=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903557 ZVUOULHANYXBAY-UHFFFAOYSA-N 377.408 0.444 0 40 GCAB C[C@H]1C(=O)NCCN1CC(=O)NCC(=O)Nc1ccccc1Br 58307107 JKCJHLZBRQTNJK-JTQLQIEISA-N 383.246 0.324 0 40 GCAB CCCCS(=O)(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244208 CVBLFOMVKIPPFE-GOSISDBHSA-N 396.513 0.917 0 40 GCAB COCCC(=O)N1CC[C@@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244613 XJKAVNAWYBOVHY-IBGZPJMESA-N 376.457 0.658 0 40 GCAB C[C@H](NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 107133956 FPIDJNWAPXFAQV-CADBVGFASA-N 392.544 0.404 0 40 GCAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 225751194 YKWGOEPMXPEGRS-ZOBORPQBSA-N 386.364 0.652 0 40 GCAB O=C(CCc1nc2ccccc2[nH]1)NCCn1c(=O)[nH]c2ncccc2c1=O 225796119 HMPMUYDCAXOSOS-UHFFFAOYSA-N 378.392 0.710 0 40 GCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)CN1C 248023269 JYIDESPDUJFZSR-AWEZNQCLSA-N 375.425 0.119 0 40 GCAB Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 248044307 WEAGQVDVCKOPBG-HNNXBMFYSA-N 378.454 0.703 0 40 GCAB Cc1ccc(C2=NN[C@H]([C@](C)(O)[C@](C)(O)[C@@](C)(O)[C@](C)(O)CO)S2)cc1 248091186 MMIZAZUVAUSVMY-ADHGMGHFSA-N 384.498 0.315 0 40 GCAB CN1CCN([C@@H]2CN(Cc3ccc(OCc4nccn4C)cc3)C[C@@H]2O)CC1 257234912 GVOVOUDRVQXMAU-UXHICEINSA-N 385.512 0.792 0 40 GCAB Cc1c(C)[n+]([O-])c([C@H](C2CCCCC2)C2C(=O)NC(=O)NC2=O)n1CCO 524733147 ZCXBLOIHYMDCHR-CYBMUJFWSA-N 378.429 0.377 0 40 GCAB CN(C)C(=O)CN1C(=O)CCC12CCN(C(=O)Cc1ccc(F)cn1)CC2 1565546707 DLHCXJNRHXAFIP-UHFFFAOYSA-N 376.432 0.835 0 40 GCAB O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CN(S(=O)(=O)Cc1ccccc1)CCO2 2055795895 QOCBWPCZRJEPIF-PKOBYXMFSA-N 394.493 0.856 0 40 GCAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)cc2oc1=O 2091937 UDGFVHSSANODGZ-LLVKDONJSA-N 376.365 0.494 0 40 GCAB biogenic CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)O 4025663 CZUIZHWORLDXSN-ZFWWWQNUSA-N 379.413 0.772 0 40 GCAB biogenic O=c1c2ccccc2nnn1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 5157668 IOAPUOUDYLTAQF-UHFFFAOYSA-N 386.433 0.861 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1 5452777 JCPYTNZGPBGDAI-UHFFFAOYSA-N 383.426 0.426 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 6085364 JKVWMFUWATUCGR-FZMZJTMJSA-N 397.453 0.150 0 40 GCAB CCN(CCCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 8778637 CZIQJSOMUOEVJT-UHFFFAOYSA-N 398.467 0.467 0 40 GCAB COC(=O)Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C 12532011 POERGFONJBBQSG-UHFFFAOYSA-N 397.435 0.165 0 40 GCAB CCCCc1cnc2c(c1SCC(=O)NCCOC)c(=O)n(C)c(=O)n2C 15883627 DEUCPQDTXVUHIJ-UHFFFAOYSA-N 394.497 0.830 0 40 GCAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1cc(F)ccc1F 21704663 DOGZEPYXHZPIQC-UHFFFAOYSA-N 395.347 0.977 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(C)c1 30868933 HUKKDTIGVWHVDW-UHFFFAOYSA-N 390.465 0.544 0 40 GCAB CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 36360708 BFOAGAJWLIFUCF-INIZCTEOSA-N 397.497 0.497 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 40120187 LUKWRFPUPVFRJJ-UHFFFAOYSA-N 378.454 0.269 0 40 GCAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1 48272490 IXDPZPSOVWMRDG-UHFFFAOYSA-N 382.467 0.650 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)Cn2nnc3ccccc32)CC1 96104216 QJXWBALCCMMNKU-UHFFFAOYSA-N 389.441 0.025 0 40 GCAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 222557849 XSAAIZSBBFIVNW-IUODEOHRSA-N 382.438 0.625 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnn(C)c3)CC2)CC1 257309875 UCSXFZJTPCBEHF-LJQANCHMSA-N 377.489 0.378 0 40 GCAB CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@]12CCN(Cc1cnn(C)c1)C2 306133097 MBRIRUCAJBDPKU-LJQANCHMSA-N 386.504 0.630 0 40 GCAB COc1cc(S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1C(=O)O 568622794 GMSLEQZMYOLIKY-NXEZZACHSA-N 379.456 0.836 0 40 GCAB CC(=O)Nc1ncc(S(=O)(=O)NCCn2ccc3ccn(C)c3c2=O)s1 575618874 WZFBBKVKIULJCO-UHFFFAOYSA-N 395.466 0.733 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1)NC1CC1 604381856 RPOUUDRMATWMJF-UUWMRLDISA-N 381.860 0.779 0 40 GCAB biogenic,in-vitro CC(C)N(C)CC(=O)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1614931809 IVQGTLLLWRTQJG-VQIMIIECSA-N 378.473 0.360 0 40 GCAB COc1nn(C)cc1C(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888869705 STKFNALKGGIMQJ-UHFFFAOYSA-N 376.392 0.903 0 40 GCAB Cc1c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cnn1C 2732590 LEXIIHRXPGMPMM-CQSZACIVSA-N 394.501 0.488 0 40 GCAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 7262456 QHWNDKWEJCBXAL-AWEZNQCLSA-N 377.466 0.774 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCCCOCc1ccccc1)c(=O)n2C 8778707 WQBAZFLTHZTFQL-UHFFFAOYSA-N 385.424 0.157 0 40 GCAB CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCCC2)c(=O)c3=O)cc1 8849362 XEGOULOWTINXTJ-UHFFFAOYSA-N 399.451 0.968 0 40 GCAB O=C(O)/C=C/C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 9302932 HTPBOXTUMJRFLV-VOTSOKGWSA-N 381.454 0.867 0 40 GCAB CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1 11402031 BOBIXIDQOATLCW-CQSZACIVSA-N 382.438 0.042 0 40 GCAB COC(=O)CCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 13814517 JUYVKHGJXGCWLQ-UHFFFAOYSA-N 399.407 0.971 0 40 GCAB Cc1cc(=O)n2nc(N3CCN(CC(=O)NCc4ccccc4)CC3)sc2n1 24974741 ZWNVOXOJYMOECD-UHFFFAOYSA-N 398.492 0.898 0 40 GCAB O=C1CN(C(=O)CCCCCNS(=O)(=O)c2ccc(F)c(F)c2)CCN1 32747969 HQVCZTKBBBKDDB-UHFFFAOYSA-N 389.424 0.762 0 40 GCAB CCOc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)cc1 222672818 HEYLKNRLAITHSY-UHFFFAOYSA-N 375.381 0.455 0 40 GCAB O=C(O)CC1(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCCC1 634856394 OXTIZOWTIXPDKR-UHFFFAOYSA-N 395.500 0.805 0 40 GCAB O=C(N[C@H](C(=O)O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)N1 659190113 MYIKUFYLNJZHTP-UWVGGRQHSA-N 377.216 0.383 0 40 GCAB COc1ccccc1NC(=O)C(=O)NCC1(OC)CCN(S(C)(=O)=O)CC1 1889223279 UBNUBQKMNQMYNC-UHFFFAOYSA-N 399.469 0.191 0 40 GCAB CCOC(=O)[C@](NC(=O)COc1ccccc1)(Nn1cnnc1)C(F)(F)F 4207751 PYCDDIWOFSINJT-AWEZNQCLSA-N 387.318 0.839 0 40 GCAB CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(C)C 8021026 FQNGPRSZKAJFQH-CQSZACIVSA-N 386.474 0.285 0 40 GCAB C[C@@H](NCc1ccccc1Cn1cccn1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 12866591 BKGHQGLKXUCFCK-CYBMUJFWSA-N 396.451 0.272 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)ccc21 19289815 AYSWRFCJISUTTM-UHFFFAOYSA-N 394.391 0.915 0 40 GCAB CNc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCN(C(C)=O)C2 19708462 UXVWCLSLVBESAN-OAHLLOKOSA-N 396.517 0.756 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NC(=O)c1ccco1 31709794 KIBOYUIDEZCHBF-UHFFFAOYSA-N 379.394 0.182 0 40 GCAB CCN(CCNC(=O)CN1CCC(NS(C)(=O)=O)CC1)c1cccc(C)c1 32865304 HHEWNEBLKABYJL-UHFFFAOYSA-N 396.557 0.951 0 40 GCAB Cc1cc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n([C@H]2CCS(=O)(=O)C2)n1 58007157 BLERDMLVUNKPMO-MKBNYLNASA-N 398.510 0.944 0 40 GCAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1 58293452 MBHCTBVTJBAMMX-GHMZBOCLSA-N 376.429 0.797 0 40 GCAB CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H](OCCN3CCCCC3)C2)CC1 79105450 VCPSEROHBTWMQQ-MJGOQNOKSA-N 380.533 0.642 0 40 GCAB Cc1cc(=O)c(OCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)cn1C 95474583 QEGWDNOERXOPSV-UHFFFAOYSA-N 382.413 0.802 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)CCc2ccccc2)CC1 96099672 IIOHHXWPILSYLM-UHFFFAOYSA-N 388.511 0.184 0 40 GCAB COCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CC1 96998710 SIUMVSLWRGEUAO-UHFFFAOYSA-N 376.818 0.518 0 40 GCAB CCOC(=O)[C@H]1CCCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)C1 575610611 WIAHTNWBCPRTKJ-ZDUSSCGKSA-N 385.428 0.295 0 40 GCAB CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 585269657 GZJVNEBPQANTDO-SFTDATJTSA-N 391.512 0.811 0 40 GCAB O=C(c1ccncc1F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243019 CJTOYKMNUSXJET-LBPRGKRZSA-N 398.391 0.265 0 40 GCAB Cc1cccc(-n2nnnc2SCC(=O)NCCN2C(=O)CSC2=O)c1 2625614 SFVBGKDUDRANCJ-UHFFFAOYSA-N 392.466 0.874 0 40 GCAB COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 3378907 AWVXAUJXOKWQEU-LLVKDONJSA-N 382.467 0.671 0 40 GCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN[C@@H]1CCS(=O)(=O)C1 12366145 HMBYMOPCAJNBAY-CVEARBPZSA-N 381.498 0.115 0 40 GCAB Cn1c(=O)n(C)c2cc(CN3CCC(C(N)=O)(N4CCOCC4)CC3)ccc21 19657809 IYHZGMMHZGKJOV-UHFFFAOYSA-N 387.484 0.029 0 40 GCAB COc1c2c(cc3c1[C@@H](c1c(O)n(C)c(=O)n(C)c1=O)N(C)CC3)OCO2 20111611 HISJDALBBLYXDU-ZDUSSCGKSA-N 375.381 0.104 0 40 GCAB biogenic O=C(NCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)Nc1ccccc1 35269306 RNDRYTMUEVXBNM-UHFFFAOYSA-N 387.484 0.965 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCn3cncn3)CC2)s1 48234654 FZJCJJMRQPFTRG-UHFFFAOYSA-N 383.499 0.961 0 40 GCAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)c1=O 77100209 IFYUWMDSYNIRQW-UHFFFAOYSA-N 384.371 0.495 0 40 GCAB COc1ccc2nnc(CCC(=O)N3CCN(CCc4ccccn4)CC3)n2n1 96230788 OAOIHNDWEGVGPR-UHFFFAOYSA-N 395.467 0.847 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 105352833 RNCNDEZJKDJMRW-LPRHKYBASA-N 393.827 0.088 0 40 GCAB Cn1nccc1C(=O)N1CC[C@]2(CCn3ncnc3[C@H]2NC(=O)C2CCC2)C1 306137356 QUDMGHBFOAAHMO-BEFAXECRSA-N 383.456 0.905 0 40 GCAB COCC(=O)N[C@@H]1CN(C(=O)c2cccc3ncn(C)c23)C[C@H]1c1nccn1C 1615549474 QPSGRVDLSALBFC-GDBMZVCRSA-N 396.451 0.678 0 40 GCAB Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)[C@@H]2C=CCS2(=O)=O)cc1Cl 1630090 AMDJIYDXUCSPFC-JTQLQIEISA-N 393.826 0.756 0 40 GCAB COCCN(C(=O)Cc1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7719164 LZEGHZFOJCKNKQ-UHFFFAOYSA-N 393.444 0.602 0 40 GCAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cn3cccnc3=O)CC1)O2 12227160 PBYCAMFFKQDRBT-UHFFFAOYSA-N 398.419 0.436 0 40 GCAB O=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12444879 ALNFNGVAIZNZKK-UHFFFAOYSA-N 381.502 0.625 0 40 GCAB CSc1ccc(CN(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 12556842 MNHYUFZGNPJTJH-UHFFFAOYSA-N 387.465 0.814 0 40 GCAB CC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(NC(C)=O)cc1 13375874 ZEZRHUAKFIVBJW-UVBJJODRSA-N 388.511 0.972 0 40 GCAB C[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 13879051 IWVSPGRPNPWQGN-YNEHKIRRSA-N 384.392 0.856 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cccc3)cc2)CC1 18341034 MLSRLKJIBPKMTI-UHFFFAOYSA-N 391.449 0.738 0 40 GCAB CC(C)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 25136525 HGGXFPIUGXVBPE-UHFFFAOYSA-N 381.498 0.874 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)Nc1ccccc1 36709105 XIIKGJNMGPXIOZ-UHFFFAOYSA-N 390.469 0.750 0 40 GCAB O=C(CCCn1cncn1)NCc1ccccc1S(=O)(=O)N1CCOCC1 40145123 XPYQRUXXRMKLRO-UHFFFAOYSA-N 393.469 0.396 0 40 GCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1cccs1 57415904 KJNOPDJXOBPNSG-AWEZNQCLSA-N 378.454 0.726 0 40 GCAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCN(C(C)=O)CC3)c(=O)n12 72346993 VYVNXQNCJZHVLU-UHFFFAOYSA-N 397.435 0.657 0 40 GCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCCO[C@H]1CCOC1 79093595 VWCLZGFODKTUNU-ZDUSSCGKSA-N 381.454 0.427 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@H](CO)[C@H](O)[C@H]1OC(C)=O 242425491 BLLDREJCXJOWEZ-JAZQRGJZSA-N 389.404 0.733 0 40 GCAB COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@@H]2c2cn(C)cn2)C1=O 306139669 TXCRFROJBGWYEL-AUUYWEPGSA-N 386.456 0.258 0 40 GCAB O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1cscn1 575403504 FXHBGEOBHAWSRT-QXFUBDJGSA-N 385.389 0.669 0 40 GCAB CSc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 4995506 IRFZERSLBNKSOA-YWZCALJYSA-N 376.232 0.527 0 40 GCAB COCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 8242198 BDYVDAMBTDGTJQ-UHFFFAOYSA-N 377.260 0.928 0 40 GCAB CCCN(CCO)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1 10383992 XDICOHKOYBJNCQ-INIZCTEOSA-N 376.457 0.047 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccco3)CC2)cc1C(N)=O 12768633 BSJMEVBXZRSHMR-SNAWJCMRSA-N 392.437 0.263 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 12892619 LZJOXUUUPGXDHX-MRXNPFEDSA-N 396.513 0.911 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@@H]3C[C@@H]3C)CC2)cc1 12985461 WSBKOAREHNDOFP-XJKSGUPXSA-N 395.481 0.300 0 40 GCAB COc1ccc(Cl)cc1CN(C)CC(=O)N1CCN(S(C)(=O)=O)CC1 16422778 KYWSYBINKAALQO-UHFFFAOYSA-N 389.905 0.884 0 40 GCAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C(C)(C)O)CC2 19711486 QRRHGRVPECPJFI-UHFFFAOYSA-N 375.473 0.900 0 40 GCAB CN1CCC[C@@H](NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1 19751380 NOIZAWLULWJNTK-GOSISDBHSA-N 382.464 0.989 0 40 GCAB Cc1nc(CC(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1 21285551 GNXCVZRYAOKVCG-UHFFFAOYSA-N 383.451 0.501 0 40 GCAB CCOC(=O)N1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 22230723 CBNKPGMAXASYCF-UHFFFAOYSA-N 399.469 0.762 0 40 GCAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCOCC3)nc1)CS2 26690880 OOCMYTFZWGLIPY-KSSFIOAISA-N 376.482 0.988 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CC(c3nc(-c4ccccn4)no3)C2)CC1 49481616 BEESTEBJCSLPJL-UHFFFAOYSA-N 391.453 0.729 0 40 GCAB Cn1c(CN(c2nccs2)S(=O)(=O)c2ccccc2)cc(=O)n(C)c1=O 58377804 PUBMSMZDGNOLKC-UHFFFAOYSA-N 392.462 0.936 0 40 GCAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(C(C)=O)CC1)C(=O)O 61721701 JMBYNCTVQBVYKX-GFCCVEGCSA-N 397.453 0.728 0 40 GCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)c1 69298877 BRPPZXLTNJYGSO-ZDUSSCGKSA-N 376.456 0.250 0 40 GCAB CN(C)c1cccc(C(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)c1 72389517 HPPFCVCCKFFXFW-UHFFFAOYSA-N 383.452 0.871 0 40 GCAB Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccn(CCC(N)=O)n3)c12 89688994 JREPTWGUBVGBOO-UHFFFAOYSA-N 382.424 0.846 0 40 GCAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCN2CCCS2(=O)=O)C1=O 89917029 CTWOHBHOUMHEAD-SFHVURJKSA-N 377.466 0.978 0 40 GCAB CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NCCNC(C)=O 96113099 KKKYLZGMXRTUKP-DOTOQJQBSA-N 376.457 0.199 0 40 GCAB biogenic,in-vitro COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cc1 306129705 IKLKMKNPQZVWII-OAQYLSRUSA-N 396.447 0.647 0 40 GCAB COc1cc(N2CCc3nc4c(c(=O)n3CC2)CN(CC2CC2)CC4)ncn1 306141945 WLAAFWFDYYTMHV-UHFFFAOYSA-N 382.468 0.873 0 40 GCAB O=C(CCc1cncnc1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1565545494 HKCZKHUZNJLTQF-XLIONFOSSA-N 399.451 0.443 0 40 GCAB O=C(CCc1ccc[nH]1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1565548541 DWHGHRFUGMGVCG-PXNSSMCTSA-N 386.452 0.981 0 40 GCAB CCCCNC(=O)CNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 2501889 VRQIIMBZCUSQDZ-WZYWGQKZSA-N 386.445 0.415 0 40 GCAB biogenic CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4537055 BXYXLQLWQBOEDJ-CQSZACIVSA-N 379.413 0.645 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(C)c1 7949506 UASSBXALEIQVRC-UHFFFAOYSA-N 376.438 0.533 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19340295 VPDCRULVHQKJAZ-UONOGXRCSA-N 388.449 0.583 0 40 GCAB CCOCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 19797038 VYGRQEFRJJXVNA-HOTGVXAUSA-N 375.512 0.951 0 40 GCAB Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1C 22786927 AYQQEBYUZPFBQC-UHFFFAOYSA-N 387.484 0.848 0 40 GCAB CNC(=O)C1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 32904040 URWUJRAXAHHVQK-UHFFFAOYSA-N 384.436 0.921 0 40 GCAB CCN1CCN(CC(=O)N[C@H](CC(=O)OC)c2ccc(C)cc2)C(=O)C1=O 48735749 YQJHMQFWWQYTEI-OAHLLOKOSA-N 375.425 0.406 0 40 GCAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCN(CCS(N)(=O)=O)CC1 78970408 GNFKUMXVVLAIHM-KGLIPLIRSA-N 386.493 0.298 0 40 GCAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1 95351466 OPOOPAFRSYVPRR-UHFFFAOYSA-N 378.476 0.126 0 40 GCAB CC[C@H](C)NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O 98213199 ZILIEOKGEJLBPW-LBPRGKRZSA-N 375.404 0.755 0 40 GCAB Cn1nc(CCC(=O)NCCn2nc(-c3cccs3)ccc2=O)ccc1=O 206870601 BGEIPLHQJYBXSL-UHFFFAOYSA-N 385.449 0.815 0 40 GCAB Cc1ccccc1-c1cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n[nH]1 223313100 SPXCAFJLWDLWNI-UHFFFAOYSA-N 375.410 0.583 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1C 408592341 LDNDVYFIACUJFD-OAHLLOKOSA-N 399.513 0.509 0 40 GCAB CC(=O)N1CCC(N[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C3CC3)n2)CC1 604382097 DFHPVEOSFPDWAM-UAFMIMERSA-N 388.512 0.855 0 40 GCAB biogenic,in-vitro CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 681942530 MAFWZCXLSMDFIO-OAHLLOKOSA-N 392.408 0.161 0 40 GCAB OCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(OC(F)(F)F)cc2)nn1 1549162892 YCYRFNYSQCSGTP-RRFJBIMHSA-N 388.346 0.587 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2cncc(C)n2)CCO3)nc1 1565541698 RBIHQFKIAQNNRF-XLIONFOSSA-N 398.467 0.560 0 40 GCAB Cc1ccnc(N2C[C@@H]3CN(C(=O)[C@@H]4CC(=O)N(C5CCOCC5)C4)C[C@H]3C2)n1 1888849965 YNDWRAXFHXWLQR-IKGGRYGDSA-N 399.495 0.707 0 40 GCAB CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 5978736 JTIJCXQPAARKIQ-CSKARUKUSA-N 383.426 0.356 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 9580362 VRXRHXZDQJBONF-UHFFFAOYSA-N 389.441 0.778 0 40 GCAB O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371445 IBEWCGKIZFNFMS-SNPRPXQTSA-N 377.459 0.534 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 19715974 RSBHXVXLVTXYIN-AWEZNQCLSA-N 382.552 0.167 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1C 20046353 RESKYUORJDTQJN-UHFFFAOYSA-N 399.513 0.463 0 40 GCAB CCN1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 36080462 UIFHRFYOGTVUFN-UHFFFAOYSA-N 387.483 0.079 0 40 GCAB Cn1c(-c2ccccn2)nn(CCNS(=O)(=O)c2ccc(F)cc2F)c1=O 38532741 QLEHNEUUUHQRAJ-UHFFFAOYSA-N 395.391 0.901 0 40 GCAB CCN1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccco2)CC1 56997086 ZEVAFGVYGBMKMD-UHFFFAOYSA-N 399.451 0.458 0 40 GCAB O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(OCCOc2ccccc2)nc1 58534954 LFUDDCGFVJLJDK-HNNXBMFYSA-N 384.392 0.754 0 40 GCAB CCCn1c(N)c(C(=O)CN2CCN(c3ccccc3O)CC2)c(=O)[nH]c1=O 89960619 OCNOSBAHFJMHBP-UHFFFAOYSA-N 387.440 0.239 0 40 GCAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCC(N)=O 408548373 HAODHABVYLPFNM-IZZDOVSWSA-N 377.353 0.015 0 40 GCAB C[C@]1(N(CCN)S(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 575424572 BKFQDTLYGKHFIF-INIZCTEOSA-N 383.495 0.761 0 40 GCAB CC(C)N1CCN(C[C@@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@@H]2O)CC1 585284380 KOERNSUGYKWLOQ-RBUKOAKNSA-N 397.541 0.199 0 40 GCAB COCC(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1ccnn1C 1615546743 HPNPZWBQWNVHPM-HUUCEWRRSA-N 386.456 0.252 0 40 GCAB Cc1nc(N2C[C@@H]3CN(c4cc(=O)n(C)c(=O)n4C)C[C@H]3C2)c2ccncc2n1 1888879662 OFTWTLQNJTWJLD-KBPBESRZSA-N 393.451 0.303 0 40 GCAB CCCS(=O)(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2ccnc2)CC1 2055713648 QTWUDJZTLGJGQK-UHFFFAOYSA-N 380.474 0.208 0 40 GCAB CCN(C)C[C@H]1COC2(CN(C(=O)c3ccccc3OC)C2)CS1(=O)=O 2332243245 UZQFWZRGCQQBNS-AWEZNQCLSA-N 382.482 0.655 0 40 GCAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 3512861 MMXVZIJMLJQPRY-UHFFFAOYSA-N 398.375 0.669 0 40 GCAB COCCN(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 4848414 QZLQLPYKZRIWMF-CYBMUJFWSA-N 398.485 0.632 0 40 GCAB CCOC(=O)C1=C(COC(=O)COc2ccccc2C=O)NC(=O)N[C@@H]1C 6497383 KJMSPHCADOHQCY-LLVKDONJSA-N 376.365 0.940 0 40 GCAB CCCCN(C(=O)COC(=O)[C@H]1C[C@H]1C)c1c(N)n(CCC)c(=O)[nH]c1=O 6641244 BGVLFCWITZBAKL-NEPJUHHUSA-N 380.445 0.861 0 40 GCAB CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)CC(=O)NC(C)(C)C 7659891 FKKXULNWXNLELA-IBGZPJMESA-N 389.456 0.331 0 40 GCAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1)C1CC1 25594614 VWEFUIQVSXGYSZ-FZMZJTMJSA-N 386.495 0.680 0 40 GCAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 58298477 NDJDLXOQIWBOIR-VHSXEESVSA-N 376.381 0.152 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-n2cccn2)ccc1=O 70641013 MLTFBJNPFCPFGF-UHFFFAOYSA-N 393.400 0.555 0 40 GCAB NC(=O)C1CCN(c2ncc3c(=O)n(Cc4ccccc4F)c(O)nc3n2)CC1 77100730 OAIADEFMANRBBJ-UHFFFAOYSA-N 398.398 0.781 0 40 GCAB O=C(/C=C/c1cncc(O)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 96000718 TUYVDJFVBYQYRW-QDLOVBKTSA-N 381.454 0.453 0 40 GCAB CS(=O)(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)[C@]2(CCNC2=O)C1 96262548 AHBKAAXWGZDAOR-GOSISDBHSA-N 392.481 0.086 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 216307880 FRTSLPFLUVGQPA-CENDIDJXSA-N 389.404 0.733 0 40 GCAB CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H]2OC(C)(C)O[C@@H]21 257351143 CHPHKXXDQSHQKC-SKNMHBRKSA-N 382.808 0.616 0 40 GCAB Cn1cc(-c2cnc3c(N4CCN(C(=O)c5ccnn5C)CC4)nccn23)cn1 306132622 LNYVYJBJTHMVNJ-UHFFFAOYSA-N 391.439 0.826 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cc1 390827782 KDWKCCSZNHWRJK-ZDUSSCGKSA-N 396.400 0.322 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888921749 QHWJWOPOJQTZPQ-STQMWFEESA-N 389.441 0.486 0 40 GCAB Cn1c(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)cc(=O)n(C)c1=O 2037913008 KJZKMWWUKZUCQM-LJQANCHMSA-N 391.399 0.269 0 40 GCAB COC(=O)[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 4073607 SFPNWBNSBRNTNH-MRVPVSSYSA-N 379.232 0.405 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCCO)cc1 4554141 AYJSRCSBWWLJET-OAHLLOKOSA-N 397.497 0.153 0 40 GCAB COc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1 5033356 XSYXAYVOQVXRGX-UHFFFAOYSA-N 380.364 0.895 0 40 GCAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCC(=O)N3C(=O)[C@H]3CCC(=O)N3)ccc12 5792747 SHGOIFDEBDGGCG-KGLIPLIRSA-N 397.387 0.836 0 40 GCAB CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O 8643448 SLEVMFNUULSCAO-OGWHTMIXSA-N 388.420 0.547 0 40 GCAB biogenic,in-vitro O=C(C[C@@H](NCCOCCO)C(=O)O)Nc1ccc(Br)cc1 10186519 RCGHWAKDKFHTHN-GFCCVEGCSA-N 375.219 0.829 0 40 GCAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CC[C@@H]1NC(=O)NC1=O 12899330 CZIGAZZPYDBDMS-NSHDSACASA-N 397.229 0.800 0 40 GCAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C2CC2)CC1 19573694 WNIHFBXPDLAONQ-UHFFFAOYSA-N 394.497 0.833 0 40 GCAB O=C(CN1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1)NC1CC1 22779104 SBKXIERURNMVHI-UHFFFAOYSA-N 375.860 0.973 0 40 GCAB NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 23653873 UBVDLTQHPSMMCH-UHFFFAOYSA-N 381.376 0.767 0 40 GCAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3C(=O)CNC3=O)cc12 28297118 MTELRKAINVBROJ-LBPRGKRZSA-N 389.408 0.955 0 40 GCAB O=C1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1 28630441 TWCGMIDKUZQSMY-UHFFFAOYSA-N 379.214 0.508 0 40 GCAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@@H](C(F)(F)F)C1 32841761 HJODHMLTWDMOLM-MNOVXSKESA-N 395.403 0.953 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)CC1 40083161 FFNAJGUSFASCQK-UHFFFAOYSA-N 376.486 0.244 0 40 GCAB C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 44402081 OJZFBNOAGDMBPR-GXTWGEPZSA-N 388.511 0.939 0 40 GCAB COc1cccc(C[C@H](C(=O)N2CCCN(C(C)=O)CC2)n2nnnc2C)c1 48302878 CQJQRLRDVKKRCP-GOSISDBHSA-N 386.456 0.855 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 84582057 ZGPCVNCWFYLFPF-IBGZPJMESA-N 385.420 0.120 0 40 GCAB CC(=O)N1C[C@H]2C3(CCN(S(=O)(=O)C4CC4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143813 DBOUSFATEJKABD-QFBILLFUSA-N 397.541 0.908 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257279567 OHGBTPGPKIICPT-AWEZNQCLSA-N 383.461 0.010 0 40 GCAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(CN3C(=O)COC3=O)C2)c1 575615028 BINGBJQWCKRKJQ-UHFFFAOYSA-N 395.437 0.101 0 40 GCAB O=C(NCc1nc[nH]n1)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 585138370 KMRVGWKBJHGANS-NSHDSACASA-N 399.498 0.722 0 40 GCAB COc1ccccc1CNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290687 TVCNTYSSYKHIQN-MOPGFXCFSA-N 392.477 0.581 0 40 GCAB CC(C)N1CCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 585291215 LSLSBHDEQAGDPV-CTNGQTDRSA-N 375.513 0.579 0 40 GCAB CCN1CCCN(c2ncc(S(=O)(=O)NCCO)cc2C(F)(F)F)CC1 1615053501 WNCQIVJLTMZPJH-UHFFFAOYSA-N 396.435 0.903 0 40 GCAB C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 2516020 RIRGCFBBHQEQQH-BCGHXZKZSA-N 385.424 0.481 0 40 GCAB C[C@H](NC[C@@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6840410 WALBIVLZDGPIAT-HOCLYGCPSA-N 397.497 0.803 0 40 GCAB CCCc1cnc2c(c1S[C@@H](C(C)=O)C(=O)N(C)C)c(=O)n(C)c(=O)n2C 10216873 VJXUWBXZGGXXCE-ZDUSSCGKSA-N 392.481 0.723 0 40 GCAB COC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19456630 GRHKCPALEJREIA-VBKZILBWSA-N 389.452 0.711 0 40 GCAB Cn1nccc1C(=O)N1CCO[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 19747347 OPMHDLHHYPYQPG-SFHVURJKSA-N 383.452 0.610 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1 19797306 AQSGTLRDUKSOKL-HOTGVXAUSA-N 386.495 0.680 0 40 GCAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 20529194 BXFNIKOEOLHGJV-QGZVFWFLSA-N 391.424 0.817 0 40 GCAB CCOc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1S(=O)(=O)N(C)C 28696264 ZTQUBZXWYDVOIZ-CQSZACIVSA-N 386.474 0.967 0 40 GCAB O=C(Cn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1)NC1CCCCC1 32642375 KYDFZKQYBWEABX-CYBMUJFWSA-N 393.469 0.402 0 40 GCAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)cc(OC)c1OC 35590257 AHPXYURDTQFMCQ-HNNXBMFYSA-N 377.397 0.545 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 38836423 MQIRWHNBBCGCKI-OAHLLOKOSA-N 397.453 0.514 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ncccn3)cc2)CC1 79475989 ZWTSZQMHONLACI-UHFFFAOYSA-N 390.469 0.784 0 40 GCAB O=C(Nc1ccc(-n2cnnn2)cc1)c1c[nH]c(=O)n(Cc2ccco2)c1=O 90423973 OUULZUJDXAJXAF-UHFFFAOYSA-N 379.336 0.406 0 40 GCAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1cc(F)ccc1O 95981280 SMYWVSPLRVPVSI-UHFFFAOYSA-N 375.403 0.298 0 40 GCAB COC(=O)Cn1/c(=N/C(=O)c2ccco2)sc2cc(S(N)(=O)=O)ccc21 100876656 HEGNTEAMDKABBJ-ICFOKQHNSA-N 395.418 0.857 0 40 GCAB CS(=O)(=O)c1ccc(OC[C@]2(CNC(=O)C3CCC3)C[C@H](O)[C@H](O)C2)cc1 107283791 HYRBUCSRKRWKFU-DZFIZOCASA-N 397.493 0.887 0 40 GCAB biogenic,in-vitro Cn1c(=O)c2c(ncn2CC(=O)NCc2ccnc(-c3ccco3)c2)n(C)c1=O 225656494 XCLRIOHBHGIJLQ-UHFFFAOYSA-N 394.391 0.405 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(Cc2cnn(C)c2)C3)n1 306129844 IOSMROPONNOLCE-HNNXBMFYSA-N 377.470 0.587 0 40 GCAB COCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl 408635509 CPSXHASEJNNMNB-UHFFFAOYSA-N 380.850 0.406 0 40 GCAB O=C(CN1CCOC1=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148492 KKNOLGOENIKBFQ-UHFFFAOYSA-N 392.334 0.256 0 40 GCAB Cc1nccnc1N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)CC1 647504811 QYSKMYDFYNUOBH-TZMCWYRMSA-N 375.429 0.003 0 40 GCAB CN(C)C(=O)CN1[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2OCCS1(=O)=O 1534645787 CXKMXKRVMMYRKF-CABCVRRESA-N 396.469 0.022 0 40 GCAB CCN(CC(=O)NCCCO)S(=O)(=O)c1ccc(Br)cc1 6779368 WOWQQPRCDKGBEM-UHFFFAOYSA-N 379.276 0.958 0 40 GCAB C[C@@H](NC[C@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6840424 WALBIVLZDGPIAT-GDBMZVCRSA-N 397.497 0.803 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 8988633 RKFDCJMNIRRLAV-UHFFFAOYSA-N 382.485 0.237 0 40 GCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CN[C@@H]1CCS(=O)(=O)C1 12366144 HMBYMOPCAJNBAY-HZPDHXFCSA-N 381.498 0.115 0 40 GCAB COc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 15565901 IADSVIZJYFBIJB-NSHDSACASA-N 395.437 0.808 0 40 GCAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)CN21 15708652 AMAQZFLIZKXORO-ZNMIVQPWSA-N 381.546 0.203 0 40 GCAB biogenic,in-vitro Nn1c(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 17541145 GQDCWEKQCHWCMI-MRVPVSSYSA-N 399.420 0.281 0 40 GCAB COc1cccc([C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2nccn2C)c1 19291227 FELHQOCHSBITOZ-INIZCTEOSA-N 383.408 0.346 0 40 GCAB Cc1nc(SCCN2CCOCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 23701114 GKZAPAZOGISSKI-UHFFFAOYSA-N 393.513 0.879 0 40 GCAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 32860403 HQHRKYFMGQHJKV-OALUTQOASA-N 398.525 0.691 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cscn3)CC2)o1 58084893 WKHVMVLQDWZYSW-UHFFFAOYSA-N 398.466 0.301 0 40 GCAB COc1cn(C)c(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1=O 72404695 FWNGJCWUBYWJFO-NSHDSACASA-N 380.426 0.511 0 40 GCAB C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 95480486 PGIONFBYYQYIOY-KDOFPFPSSA-N 378.450 0.397 0 40 GCAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)c4cscn4)C3)C2)cn1 96225944 AYDQWHKGICEBEW-QGZVFWFLSA-N 386.437 0.919 0 40 GCAB O=S(=O)(NCCc1ncn[nH]1)c1ccc(I)cc1 96767306 LHGGDPQCOFETHY-UHFFFAOYSA-N 378.195 0.930 0 40 GCAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225404310 VTTMDNPBGHTVMZ-KBPBESRZSA-N 381.502 0.780 0 40 GCAB COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3ccc(F)cc3[nH]2)C1 257317714 VKWCUNPRNMWAGD-SFHVURJKSA-N 379.388 0.273 0 40 GCAB CCn1nncc1CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 527928494 KHASJCDJTREZMH-GFCCVEGCSA-N 398.514 0.870 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(F)cc1 575424656 VCGNFSITFHOLNW-NWDGAFQWSA-N 380.419 0.016 0 40 GCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1614927948 HKCZKHUZNJLTQF-FXAWDEMLSA-N 399.451 0.443 0 40 GCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)COc5cccnn5)C[C@H]4C3)nn12 1888897409 KZZLUBXJSOKKBA-OKILXGFUSA-N 380.412 0.196 0 40 GCAB NC(=O)C1CCN(C(=O)CN2CCC[C@](O)(COc3ccc(F)cc3)C2)CC1 2037915920 BBFYQQXMNCRMJG-HXUWFJFHSA-N 393.459 0.755 0 40 GCAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CCS(C)(=O)=O)C1 2055754626 KWNKPHHHGGCOJO-SFHVURJKSA-N 381.498 0.983 0 40 GCAB CCS[C@@H]1[C@@H](OC(C)=O)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H]1OC(C)=O 5120799 STZCNEXTAMKTRZ-LEOABGAYSA-N 392.426 0.823 0 40 GCAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 6766408 OGCMTKYVDCIRME-UHFFFAOYSA-N 395.462 0.908 0 40 GCAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COC(C)C)CC1 7425543 FQAJWKQVICKKOU-ZDUSSCGKSA-N 379.461 0.446 0 40 GCAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)NC1=S 8113281 AZABRGAMZOWQFM-YHYXMXQVSA-N 380.378 0.389 0 40 GCAB O=C(Nc1nnc(-c2ccco2)o1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9491065 DEPWCXYEVFDVSZ-SECBINFHSA-N 393.381 0.434 0 40 GCAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccco1 10157568 YTKRDAATJXWKEN-UONOGXRCSA-N 384.396 0.208 0 40 GCAB NC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 14095072 KASPTWHJASMXNY-ZDUSSCGKSA-N 398.460 0.449 0 40 GCAB C[C@@H](Sc1nnnn1C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 14915554 NZFRGVWKOXPLCF-GFCCVEGCSA-N 396.498 0.224 0 40 GCAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CC(=O)N(C)C1)C2 19017286 XTCSJJIFTXWVDF-WMLDXEAASA-N 385.468 0.913 0 40 GCAB COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)NC(C)C)c(=O)c2cc1OC 20763447 KXBRIJJTADQTIN-NSHDSACASA-N 376.413 0.443 0 40 GCAB biogenic CCNC(=O)CN(CC)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 48311280 RNOORWMWGMTMFK-UHFFFAOYSA-N 375.834 0.818 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O 61717925 WBHWRPYVGKZIIQ-AWEZNQCLSA-N 375.429 0.750 0 40 GCAB O=C(O)c1c(S(=O)(=O)NCc2[nH]nc3c2CCC3)sc2c1CCNC2 67563212 YRYPDLITHRXOEW-UHFFFAOYSA-N 382.467 0.782 0 40 GCAB O=C(Cn1nc2n(c1=O)CCCCC2)NCC(=O)Nc1ccc2cn[nH]c2c1 79019805 SGAJRVDPPQNSPF-UHFFFAOYSA-N 383.412 0.402 0 40 GCAB COc1ccc(CCNC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1OC 90591332 JZLZMIKUMPYUHW-UHFFFAOYSA-N 388.346 0.977 0 40 GCAB COc1cc(Br)c(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)cc1OC 108153555 OZZQALDIKTUUOU-DTWKUNHWSA-N 396.259 0.583 0 40 GCAB O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 585109925 OREAXNGLTIPBCC-ZDUSSCGKSA-N 385.403 0.217 0 40 GCAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cn(C)nc3C)cc2NC1=O 585282141 YEQVIUDDZVDPRP-CYBMUJFWSA-N 378.410 0.957 0 40 GCAB NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)C1 621034684 NTHPYSJKZFTRFC-LSDHHAIUSA-N 382.486 0.317 0 40 GCAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 643551266 YOWOZJMDMGPVCU-RBUKOAKNSA-N 376.478 0.963 0 40 GCAB COCCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)[C@@H]2CCOC2)C1 1565555642 FHWLQWIVTKOSJB-AUUYWEPGSA-N 391.472 0.246 0 40 GCAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccc(OC)nn5)C[C@@H]4C3)ncnc21 1888914057 PVKFCAYBRUYWOO-STQMWFEESA-N 394.439 0.853 0 40 GCAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 2408673 JWUZXDRQFLIFBO-CYBMUJFWSA-N 387.440 0.696 0 40 GCAB CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 4317962 RCSFIKLNXXGPMA-UHFFFAOYSA-N 386.456 0.866 0 40 GCAB CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccc(F)cc2)N(C2CC2)C(=O)[C@H]13 5000470 ZDLFAXSVZWDOTC-IALVOCICSA-N 399.422 0.501 0 40 GCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 5283623 WJVSUUOYTGGIPB-QCBUCWTNSA-N 385.372 0.948 0 40 GCAB Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)[C@H]2C=CCS2(=O)=O)cc1Cl 5812438 AMDJIYDXUCSPFC-SNVBAGLBSA-N 393.826 0.756 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)Cn2ccc(C(F)(F)F)n2)c(=O)[nH]c1=O 6648503 ABZNCIPWKLSBOL-UHFFFAOYSA-N 388.350 0.797 0 40 GCAB COC(=O)Cn1c(=O)n(CCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6758224 BLIBCYUHSHJKIM-UHFFFAOYSA-N 382.438 0.631 0 40 GCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)c2cccs2)CC1 7734579 PRLIJBVXYIHGKQ-UHFFFAOYSA-N 390.465 0.897 0 40 GCAB O=C(COC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OC(F)(F)O2 10992966 GOUZMWRQIDCRQV-QMMMGPOBSA-N 377.321 0.925 0 40 GCAB COc1ccccc1N1C[C@@H](C(=O)OCc2cc(=O)n(C)c(=O)n2C)CC1=O 11387838 JLZTWGJUDAGZCC-LBPRGKRZSA-N 387.392 0.189 0 40 GCAB COCCN1C[C@@H](C(=O)N2CCc3nc4sccc4c(=O)n3CC2)CC1=O 12253122 ATOHIWRGBIPGBK-LBPRGKRZSA-N 390.465 0.338 0 40 GCAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(NS(C)(=O)=O)CC1 12992340 IAGYPBIYDNJQOU-CYBMUJFWSA-N 394.497 0.764 0 40 GCAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034101 IRPYICWEKOXUOT-RNPZLZAPSA-N 375.400 0.725 0 40 GCAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc(C(=O)OC)c1 16960669 VVIYZNWYCVSUEB-ZDUSSCGKSA-N 384.410 0.622 0 40 GCAB Cc1cc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)no1 25136641 IWTCWDNVQVMHEP-UHFFFAOYSA-N 394.453 0.739 0 40 GCAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1C 25206766 RTAMBYSUKLDGDK-UHFFFAOYSA-N 386.474 0.372 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCN(CC(=O)c3cccs3)CC2)CC1 36708292 OEDDMPGMLSHNND-UHFFFAOYSA-N 399.538 0.747 0 40 GCAB CN1CCOc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2C1=O 38942960 JCYQVSCOBMFRKG-UHFFFAOYSA-N 381.454 0.761 0 40 GCAB CN1C(=O)[C@H](CC(=O)NCCn2nnn(-c3cccs3)c2=O)c2ccccc21 100754825 QPKVEQXZORJCBK-CYBMUJFWSA-N 398.448 0.757 0 40 GCAB CCN1C[C@]2(O)CC[C@H](O)[C@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 100763642 MXPKDWCRJAGSTO-YJXKPZGPSA-N 393.524 0.630 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ncccn3)C2)cc1 575611568 DDOFKDVDSKALFZ-CQSZACIVSA-N 392.437 0.573 0 40 GCAB COCCNC(=O)c1cccc(NC(=O)N2CCN(c3nncn3C)CC2)c1 654071894 BRKVAYMHGDRYNI-UHFFFAOYSA-N 387.444 0.545 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC[C@H]21 1565554170 SOVAHIGRYWSDFM-HZPDHXFCSA-N 393.465 0.446 0 40 GCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2ccncc2)CC1 1772595288 KAWIUHBKMFEJIN-GOSISDBHSA-N 383.496 0.882 0 40 GCAB CN(CCO)c1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 640985 RCOGJMMOSDHCRR-UHFFFAOYSA-N 377.832 0.564 0 40 GCAB O=S1(=O)N=C(NCCNC2=NS(=O)(=O)c3ccccc32)c2ccccc21 5685307 WAFOYJOIKYGOCI-UHFFFAOYSA-N 390.446 0.464 0 40 GCAB C[C@@H](OC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(=O)NC(N)=O 5806180 ROZHQWVBNYIAFL-LLVKDONJSA-N 383.426 0.601 0 40 GCAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc(N)nc(N(C)C)n2)cc1 11257296 VBRAXHKXTIQJEE-UHFFFAOYSA-N 379.442 0.735 0 40 GCAB CCCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC(N)=O)c(=O)n2C 12232034 WMRDHBGADRLKNU-UHFFFAOYSA-N 387.444 0.293 0 40 GCAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)ncc2C1 19018160 ZNQMXBUWYGICHQ-YOEHRIQHSA-N 385.468 0.913 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](CN4CCOCC4)C3)ccc21 19289845 YYESRFIFCKZTRW-CQSZACIVSA-N 395.481 0.864 0 40 GCAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3ccc4c(c3)OCO4)cnc21 29971961 OVLYDXSWQQTYIC-UHFFFAOYSA-N 382.376 0.806 0 40 GCAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 32929922 NKIJIXWCRLWNOS-GFCCVEGCSA-N 379.438 0.050 0 40 GCAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 36398840 GTKZQRGWFXNOEY-LBPRGKRZSA-N 384.433 0.072 0 40 GCAB CS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 57758718 FJJUXMLPZMCFFW-UHFFFAOYSA-N 375.454 0.641 0 40 GCAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@H]1CCCO1 72326018 RUFBLEWFMGHEES-JLTOFOAXSA-N 387.436 0.813 0 40 GCAB CN1CCC(N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)CC1 77262033 QKDMDDHUHYFWHO-HNBVOPMISA-N 376.501 0.180 0 40 GCAB biogenic,in-vitro CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2COC(C)(C)O2)c1 79109800 WQWBEOGQBIZASZ-CQSZACIVSA-N 384.454 0.825 0 40 GCAB Cc1cc(C)nc(N2CCC[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)C2)n1 79502011 ZZHJIFXWJNRSAG-HNNXBMFYSA-N 381.502 0.414 0 40 GCAB COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)n[nH]2)cc1 95472543 AOCLWEFQWPVLDY-UHFFFAOYSA-N 393.469 0.650 0 40 GCAB COC[C@H](C)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108367145 DVNGAJBVOFYLCX-JYJNAYRXSA-N 381.498 0.533 0 40 GCAB Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)C1 257219502 DHACPYAIYXFZBO-HUUCEWRRSA-N 392.423 0.511 0 40 GCAB Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cs1 306123523 APIUNSDFJHPEMQ-GOSISDBHSA-N 387.465 0.403 0 40 GCAB CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccccc1 408622754 QZOOYYCIJLVHAH-UHFFFAOYSA-N 384.502 0.138 0 40 GCAB CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(Oc2cnccn2)CC1 520444297 UWVLZAXZESDVSP-AWEZNQCLSA-N 397.501 0.844 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 524733475 MSROWFCMZRETKD-UHFFFAOYSA-N 392.433 0.936 0 40 GCAB CCn1nccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806633 KMVQRGMDPPUXFN-CYBMUJFWSA-N 380.474 0.354 0 40 GCAB OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O 3881960 HSTZMXCBWJGKHG-ZMSCKBSRSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro CCOC(=O)CCCNC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 4165691 AUXWFBPXUWLGDY-OAHLLOKOSA-N 375.425 0.999 0 40 GCAB Cc1cccc(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 4454245 JNFQVVOMHPLYQB-CQSZACIVSA-N 399.451 0.772 0 40 GCAB CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 6955511 XLLPRYADHWXOSQ-UHFFFAOYSA-N 389.861 0.919 0 40 GCAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 8075723 KPUFABLNUBQEOF-UHFFFAOYSA-N 388.453 0.638 0 40 GCAB Cc1nnc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)s1 10216380 SVQMVPAYWJCZGM-UHFFFAOYSA-N 392.466 0.831 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2CC)n(C)c1=O 12231982 WPGKPODILAJCOR-UHFFFAOYSA-N 388.428 0.591 0 40 GCAB CC(=O)O[C@@H]1CO[C@@H](n2ncc(=S)nc2O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 35242176 NZFFGFFXGOVKBU-OJAKKHQRSA-N 387.370 0.037 0 40 GCAB COCCNC(=O)CSc1nnc2c(=O)n(Cc3ccccc3F)ccn12 48988203 RDWRIPDQECSSRC-UHFFFAOYSA-N 391.428 0.933 0 40 GCAB C[C@H]1COc2c(N(C=O)CCN(C)C=O)c(F)cc3c(=O)c(C(=O)O)cn1c23 65739900 HTOKHJLTWLBPPN-JTQLQIEISA-N 391.355 0.843 0 40 GCAB in-vitro O=C(CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2sccc2C1 95977339 YYNIPTZFPZOZCN-MRXNPFEDSA-N 397.566 0.874 0 40 GCAB O=C1N[C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)Nc2ccccc21 96115029 MXDQRQZWVQAMEQ-HNNXBMFYSA-N 396.403 0.705 0 40 GCAB biogenic CCN1CCN(C(=O)NCc2nnc3cc(C(F)(F)F)ccn23)C(=O)C1=O 225808014 GTFOZTSAKAIWFB-UHFFFAOYSA-N 384.318 0.648 0 40 GCAB Cc1nnsc1C(=O)N1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 238860871 KQDCKJUSZONGGI-UHFFFAOYSA-N 384.487 0.723 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(N2C(=O)COC2=O)CC1 240122334 VVUQDPOPAKVVKG-UHFFFAOYSA-N 384.392 0.756 0 40 GCAB CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 257248394 JDLPUTDIJYQRFK-BDXSIMOUSA-N 383.514 0.818 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)nc(N(C)C)n1 575606199 GGRAZHQKEINGIM-UHFFFAOYSA-N 383.430 0.442 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccccc2)C1 585291469 QEJAMAXOJHLJPR-MOPGFXCFSA-N 376.478 0.615 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC3(N4CCOCC4)CCC3)cc21 1776009077 UDEYCVWOJHBKKS-UHFFFAOYSA-N 381.454 0.665 0 40 GCAB Cc1ccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1C 3323971 ZTXBRXYNPGDTAX-UHFFFAOYSA-N 375.381 0.088 0 40 GCAB COC(=O)CN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 3644988 NRXYXPOYOYMXAP-QGZVFWFLSA-N 390.421 0.670 0 40 GCAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 5450839 UXAGKBBXYXLRHH-QMMMGPOBSA-N 394.858 0.593 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1N1CCCC1)c(=O)n2C 7986915 JZRMWJDVNLGKMC-UHFFFAOYSA-N 382.424 0.673 0 40 GCAB CCc1nnc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)s1 10217076 IVOJMRDENLMILA-UHFFFAOYSA-N 392.466 0.777 0 40 GCAB CCCc1cc(O)nc(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 11443526 BCRMJNYRMNOSEL-MRVPVSSYSA-N 379.442 0.478 0 40 GCAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(-n2cncn2)nc1 48278671 DKQPGDYAVKQDGE-UHFFFAOYSA-N 397.439 0.923 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)c3ccccc3)n2)CC1 62023011 NDVZNRHPFMLRNK-UHFFFAOYSA-N 378.410 0.644 0 40 GCAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCS(=O)CC1 66637260 BEXCKZBTJZVBDK-SFHVURJKSA-N 375.450 0.576 0 40 GCAB CCS(=O)(=O)N1C[C@@H](C(=O)NC(C)C)[C@@]2(Cc3ccccc3C(=O)N2)C1 72334464 DLTRXRYWWLGPMO-MAUKXSAKSA-N 379.482 0.517 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 95407669 NONKPKVYZBXMIR-UONOGXRCSA-N 376.388 0.343 0 40 GCAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1nc(-n2cncn2)ccc1=O 96103362 OIEOLTXMFUXHOG-GORDUTHDSA-N 380.364 0.382 0 40 GCAB Cn1cc(-c2cncc(CNC(=O)N3CCN(S(C)(=O)=O)C3=O)c2)cn1 390830618 MGAWDPWOYYGPPI-UHFFFAOYSA-N 378.414 0.389 0 40 GCAB Cn1ccc(CC(=O)N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 585108550 DBJOEFGDJNEAJI-KURKYZTESA-N 383.452 0.823 0 40 GCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCN2CCCCC2)C1 585292003 WNTJYPUDDRFPDK-CTNGQTDRSA-N 375.513 0.629 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cc(C)n(C)n5)C[C@H]4C3)nn12 1888904238 FDHXEGGBLBPPPS-OKILXGFUSA-N 380.456 0.937 0 40 GCAB Cc1cc(N2CCCC2)nc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1 1889085919 SEAXISFUDYJHQA-UHFFFAOYSA-N 385.472 0.109 0 40 GCAB O=C(c1cnccn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055781421 CFWHXTRBIHTDKO-UHFFFAOYSA-N 382.346 0.983 0 40 GCAB C/C=C/C1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 1530589 WDLWHQDACQUCJR-RZXBBBSYSA-N 389.433 0.707 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2)CC1 4941003 BWNMBNZQVYMSRZ-UHFFFAOYSA-N 387.433 0.659 0 40 GCAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c(C)c12 9134615 NQBXDVYBKVTZNE-STQMWFEESA-N 395.433 0.235 0 40 GCAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 9991219 FUXVITLKZUFVAH-UHFFFAOYSA-N 399.403 0.429 0 40 GCAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnccn3)CC2)c1 13842836 AHTUBLYZENROST-UHFFFAOYSA-N 389.481 0.667 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCCN1CCOCC1 16291310 KCFWPUICEIKYGM-UHFFFAOYSA-N 399.513 0.463 0 40 GCAB CN(C)CCn1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)c2cccnc21 19583194 WHKKQZSKCYTVDU-HNNXBMFYSA-N 384.484 0.931 0 40 GCAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCN4CCOCC4)cc1c32 22908460 YJDSOCNDRYZSJR-ZDUSSCGKSA-N 386.452 0.470 0 40 GCAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 54639809 SMRABVQTUOTLGW-CYBMUJFWSA-N 394.497 0.806 0 40 GCAB C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2NC1=O 71553412 IAHFGUVLGCOKPA-GFCCVEGCSA-N 389.437 0.707 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)COc2cc(C(=O)O)cc(C(=O)O)c2)cc1 217729095 ABIYZOWRYBJRCF-UHFFFAOYSA-N 394.361 0.748 0 40 GCAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1CCNC(=O)C1 512471604 LCBHMOAGJJHSOF-UHFFFAOYSA-N 376.501 0.257 0 40 GCAB CC(C)N1C[C@]23CN(C(=O)c4cc(F)ncc4F)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565551979 VNTJEXRZKSDIBM-AKWBHNSASA-N 387.408 0.766 0 40 GCAB OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O 4028710 NLRXQZJJCPRATR-LJIZCISZSA-N 385.210 0.781 0 40 GCAB in-vitro COc1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 4583569 UUUMOSMFYQURIW-UHFFFAOYSA-N 377.422 0.640 0 40 GCAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 9054538 GOSSRJKOCGNKKD-VIFPVBQESA-N 378.458 0.348 0 40 GCAB O=C(NCCN1CCOCC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342467 RLOYAEUWTYOEKJ-UHFFFAOYSA-N 386.452 0.299 0 40 GCAB COCCNc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1 12599201 YVEPWSIXWOAHNX-UHFFFAOYSA-N 398.470 0.339 0 40 GCAB COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 20800028 JECFVACQKRBTQM-LLVKDONJSA-N 398.423 0.969 0 40 GCAB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(S(=O)(=O)N(C)C)c1C 22741096 LUNFEMWHXCFIDE-MRXNPFEDSA-N 388.511 0.861 0 40 GCAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 32643088 CQKYSSPXWXXQHM-UHFFFAOYSA-N 396.469 0.776 0 40 GCAB CN(CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)S(C)(=O)=O 40089380 GLVVFPPTQKFZBW-UHFFFAOYSA-N 393.487 0.075 0 40 GCAB CCOC(=O)CCN(Cc1cccnc1)C(=O)Cn1nc2ccccn2c1=O 48312181 VMDJHITZVOFOLR-UHFFFAOYSA-N 383.408 0.873 0 40 GCAB CN(C)c1nccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 134130986 XRWHXLZMWXNNAO-UHFFFAOYSA-N 380.452 0.961 0 40 GCAB Cc1noc(C)c1CC(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 238875060 NVJKRGSCBOGKEB-UHFFFAOYSA-N 395.485 0.799 0 40 GCAB CCc1ccccc1C(=O)N1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 263202048 VGASRMKQSWQJMK-CQSZACIVSA-N 384.454 0.436 0 40 GCAB CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1 567981419 JHIBLUGZWPAMGK-UHFFFAOYSA-N 383.474 0.806 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2nccn2C)CC1 585294329 YQOZBRQXZITNBP-UHFFFAOYSA-N 392.456 0.455 0 40 GCAB C[C@@H]1[C@H](O)CCN1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 650189210 NDRFEXXOZYTMGF-CXAGYDPISA-N 381.498 0.671 0 40 GCAB Cc1cc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n2ncnc2n1 1889152068 QAHLSGZNEZVPIV-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 4411429 RUZMRLNEEMNAMP-KBPBESRZSA-N 392.485 0.978 0 40 GCAB COC(=O)c1ccc2c(=O)n(C[C@@H](C)O)c(S[C@H]3CCOC3=O)nc2c1 6003384 QIMXIQWEOWLYRH-RNCFNFMXSA-N 378.406 0.972 0 40 GCAB CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@@H]1CCS(=O)(=O)C1 6840712 FSVJIBOEKUYNOC-AHIWAGSCSA-N 385.486 0.523 0 40 GCAB Cn1c(N2CCN(S(C)(=O)=O)CC2)nc2sc3c(c2c1=O)CCCC3 12409073 RYMJRGTXNPAZTN-UHFFFAOYSA-N 382.511 0.955 0 40 GCAB CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12778526 GVMXGBPPJGPWCB-UHFFFAOYSA-N 390.412 0.117 0 40 GCAB COc1ccc(OC)c(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 14067033 LUNPQLSIXOGDCF-UHFFFAOYSA-N 392.799 0.987 0 40 GCAB CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)c1 23018825 SUOVQHSQXJWPPZ-UHFFFAOYSA-N 395.506 0.992 0 40 GCAB Cn1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c(=O)n(C)c1=O 24345432 VWLKXIOHQNDLGK-MRXNPFEDSA-N 386.433 0.547 0 40 GCAB CS(=O)(=O)N1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 47587000 DWBGSZUMNJIRIR-UHFFFAOYSA-N 392.275 0.151 0 40 GCAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1 223020764 LOLLRPRQZFHRQJ-UHFFFAOYSA-N 383.451 0.887 0 40 GCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(OC)c3)C2)C1=O 225384776 VXSZLKSCQPFQRS-AEFFLSMTSA-N 387.480 0.854 0 40 GCAB biogenic,in-vitro C[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N1C(=O)CCCc2ccccc21 227169058 ZXFSGCHJGLSJBW-CQSZACIVSA-N 379.482 0.848 0 40 GCAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)N1CCc3ccccc31)C[C@@H]2O 257211541 BZHNXFRMWSHNAC-HKUYNNGSSA-N 393.509 0.437 0 40 GCAB CCCCC[C@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 514288245 YAZBAPFSBSLGJA-AUPVCWRJSA-N 376.446 0.238 0 40 GCAB biogenic,in-vitro CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cnc3onc(C)c3c2)CCO1 681943671 MYRSHXPWLDWADH-CYBMUJFWSA-N 376.369 0.305 0 40 GCAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)[C@H]1NCC[C@@H]1O)CCO2 1565548147 XWBKKFFTSFXDCD-LNLFQRSKSA-N 378.473 0.208 0 40 GCAB NCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1857794821 WCPDDXPKCNDUMJ-CYBMUJFWSA-N 386.408 0.545 0 40 GCAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243095 IXRAQFGHRNCIRQ-AWEZNQCLSA-N 380.401 0.126 0 40 GCAB CN1CCN(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 4932624 MJZTXZODWZXFDO-UHFFFAOYSA-N 385.445 0.956 0 40 GCAB CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)n1c(=O)[nH]c2ccccc2c1=O 12888895 ZXBWYXAJSHQNLM-SWHYSGLUSA-N 377.397 0.227 0 40 GCAB biogenic Cc1cc(N2CCCC2)nc(C2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)n1 19118536 WDCMYOBKXVRGFD-UHFFFAOYSA-N 398.467 0.641 0 40 GCAB Cc1nonc1CC(=O)N1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C2=O)C1 19559001 ZOUBHHGECRILKW-JLTOFOAXSA-N 398.419 0.729 0 40 GCAB Cc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2)on1 19584096 PCZDWOVBQGDOMU-UHFFFAOYSA-N 381.458 0.929 0 40 GCAB CC[C@@H](C)N(C(=O)Cn1nnc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 27333349 WJGZXYPXAUWTQN-CHWSQXEVSA-N 378.454 0.606 0 40 GCAB Cn1c(CN2CC2)c(C(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O 36359264 VTQXBSYOOIGTRG-UHFFFAOYSA-N 378.226 0.893 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(-c3cccs3)o2)n(C)c1=O 38552628 WCGSMFBBOFAPKC-UHFFFAOYSA-N 387.381 0.184 0 40 GCAB COC(=O)C1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)CC1 44914699 RLMHMSCJSQIHKL-MRXNPFEDSA-N 396.465 0.934 0 40 GCAB CCc1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 58415579 LTTLLJDFFIWICN-UHFFFAOYSA-N 375.425 0.098 0 40 GCAB Cc1ccc(-n2cc(S(=O)(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)cc1 95461729 OMGUSVGWBYULII-CQSZACIVSA-N 384.483 0.622 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)CC1 95477726 RSLAZVMZRUPBBO-GFCCVEGCSA-N 391.453 0.020 0 40 GCAB Cc1nc2ccc(C(=O)N3CC[C@@](C)(O)[C@H](n4ccc(O)nc4=O)C3)cc2[nH]1 257267433 MHHNCMRBDJWKNP-DNVCBOLYSA-N 383.408 0.972 0 40 GCAB CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@@H](C(=O)N2CC(F)(F)C2)C1 306141496 VXZCAGQIIRQLCX-NSHDSACASA-N 376.429 0.232 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@H]1CS(=O)(=O)C[C@H]1O)N(C)C 575426295 QRPUKAJQBVUYNY-NWDGAFQWSA-N 382.891 0.274 0 40 GCAB Cn1ccc(CC(=O)N2Cc3nnn(C)c3[C@@H](COCCN3CCCC3)C2)n1 585110832 LZYUXAMZUZJCKV-OAHLLOKOSA-N 387.488 0.330 0 40 GCAB O=S(=O)(CC[C@H]1CCCCO1)NCCS(=O)(=O)N1CCSCC1 603280918 FDSXMXMEHQETMC-CYBMUJFWSA-N 386.561 0.244 0 40 GCAB CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1 604381885 SXQMVBBDJGODJA-SZVRAQGESA-N 378.429 0.405 0 40 GCAB biogenic,in-vitro CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)NCC(=O)N1 643578760 PLZUBIFRTNQQAV-UONOGXRCSA-N 391.424 0.299 0 40 GCAB CS(=O)(=O)c1ccc(CCC(=O)NCCOCCN2C(=O)CCC2=O)cc1 1565523414 NGNGWSMFDJLYFL-UHFFFAOYSA-N 396.465 0.305 0 40 GCAB Cn1c(N2C[C@H]3CN(S(=O)(=O)N4CCOCC4)C[C@@H]3C2)nc2ccccc21 1888897265 GUZLWYWEZLIIQN-GJZGRUSLSA-N 391.497 0.518 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)c2ccccc2F)CC1 2055745602 NMLLDISKYRWEJH-UHFFFAOYSA-N 395.460 0.363 0 40 GCAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2 2332242931 BWUNTZKGRVRPQQ-INIZCTEOSA-N 398.456 0.166 0 40 GCAB C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)NCc1ccccc1 4278157 QPGKMOCJQJCYQR-CYBMUJFWSA-N 381.388 0.938 0 40 GCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2SC1 6393808 DKRCWUMYQNGXNB-UFBFGSQYSA-N 390.343 0.811 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 6839678 GTHOGFXUBVNRKT-UHFFFAOYSA-N 376.438 0.940 0 40 GCAB Cc1cc(C)c(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(=O)[nH]1 7118375 CBWUZFCZYJMACE-UHFFFAOYSA-N 388.449 0.737 0 40 GCAB O=C1NCC2(CCN(C(=O)CN3CSCC3=O)CC2)Oc2ccccc21 12225517 GBEBUBPVTOIRPX-UHFFFAOYSA-N 375.450 0.703 0 40 GCAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)N1CCOCC1 12231041 HNRGQOACCVOCQO-UHFFFAOYSA-N 376.384 0.918 0 40 GCAB Cc1ccc(C)c(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 20567883 FILMFYASWDKGPL-UHFFFAOYSA-N 383.514 0.908 0 40 GCAB Cc1cc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccccc2)no1 40082213 ZSQRIJSRXMSGJF-UHFFFAOYSA-N 380.426 0.701 0 40 GCAB Cc1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(=O)n(C)c(=O)n1C 57796506 UNOWVZGFPAKUJA-UHFFFAOYSA-N 384.436 0.507 0 40 GCAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](CO)CCSC)C2=O)cc1 95971207 FFNSTDXTYPDIBG-SCLBCKFNSA-N 395.481 0.692 0 40 GCAB O=C(c1ccc(N2CCCC2)nc1)N1CC(S(=O)(=O)N2CCOCC2)C1 95999319 FGRWNNDEDWPLNN-UHFFFAOYSA-N 380.470 0.168 0 40 GCAB Cc1noc(C)c1CN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 96251019 CSPXELJGOMTEOJ-DJIMGWMZSA-N 397.497 0.385 0 40 GCAB O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O)c1cccc(F)c1 514288790 DACSIGNFKWKXGJ-MELADBBJSA-N 380.388 0.573 0 40 GCAB biogenic,in-vitro O=C(CNS(=O)(=O)c1ccccc1F)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 519587379 XGMSGZWUTPNTNO-OCCSQVGLSA-N 390.458 0.282 0 40 GCAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4cnc[nH]4)C3)C2)c1 604382257 LZPAUCFWMIRKFA-GOSISDBHSA-N 397.479 0.830 0 40 GCAB biogenic,in-vitro CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 3059194 WYAXTVOEWSIHGZ-ZXTQRBJTSA-N 375.333 0.541 0 40 GCAB COc1ccc(-c2nc(SCC(N)=O)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 4139121 KEMIDRFXJVTBFZ-UHFFFAOYSA-N 387.421 0.280 0 40 GCAB CC(C)CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 4357263 BWPCSVOBSGCXAG-INIZCTEOSA-N 397.497 0.702 0 40 GCAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 10250573 LEAPVTHPBYMHBV-UHFFFAOYSA-N 392.437 0.310 0 40 GCAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12774723 FDRJKBRYKUEDRW-UHFFFAOYSA-N 390.465 0.579 0 40 GCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 12889313 KWNKSPZXKFXGEM-SECBINFHSA-N 380.875 0.507 0 40 GCAB Cc1cc(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)no1 12941017 KVMQYCIVECJAQM-LLVKDONJSA-N 394.457 0.902 0 40 GCAB O=C(/C=C/C(=O)N1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12972794 DCRQLZNPFIHRQT-BQYQJAHWSA-N 393.465 0.825 0 40 GCAB NC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 19848968 MNPMZAUGCVRPFT-KRWDZBQOSA-N 398.463 0.638 0 40 GCAB CN1CCN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)CC1 24697010 CPQNHIFAGUUPFG-UHFFFAOYSA-N 380.514 0.256 0 40 GCAB Cc1ccccc1N1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 25411769 PMOQUNLFTWRDDM-AWEZNQCLSA-N 385.468 0.368 0 40 GCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2O)CC1 40017821 IUFUQNHQWFHIKW-UHFFFAOYSA-N 380.404 0.744 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2cn3ccsc3n2)C[C@@H](C)O1 40089342 SGVJQACAVADMSP-VXGBXAGGSA-N 386.499 0.494 0 40 GCAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(=O)N2CCOCC2)CO1 40268256 DAURWYINXIWFJZ-UHFFFAOYSA-N 378.454 0.750 0 40 GCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCc1cc(=O)n2ccsc2n1 46281026 CNBHYWHOAKTHDB-UHFFFAOYSA-N 384.373 0.503 0 40 GCAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2nnnn2-c2ccccc2)CC1 58404636 BNPOOMHWVTXXFW-AWEZNQCLSA-N 379.428 0.602 0 40 GCAB Cn1nc(N2CCC[C@H](C(=O)N3CCN(c4ccccn4)CC3)C2)ccc1=O 90592448 XCOWVPHDPSJRDC-INIZCTEOSA-N 382.468 0.741 0 40 GCAB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 140932087 ATIBUXGRTDBRFJ-BMEPFDOTSA-N 384.388 0.984 0 40 GCAB Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)cn1 217970490 YVYJUXCNEGEKKA-UHFFFAOYSA-N 390.512 0.567 0 40 GCAB C[C@]1(C[C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[nH]2)NC(=O)NC1=O 502124038 NGSVFWDPWYPDOY-WPPNPWJKSA-N 389.338 0.486 0 40 GCAB COCCn1cc(N2C[C@H](C(=O)NCc3ccoc3C(=O)OC)CC2=O)cn1 598239437 HVORKNLSOKZMPO-CYBMUJFWSA-N 390.396 0.578 0 40 GCAB Cc1cc(C)n(-c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)cc2)n1 643431135 XOYYNSIUCICGLB-HNNXBMFYSA-N 377.422 0.813 0 40 GCAB NC(=O)Cc1cccc2c1CCN(C(=O)CCn1nnc3ccccc3c1=O)C2 1624164050 BOYJPVHCFAMPBF-UHFFFAOYSA-N 391.431 0.794 0 40 GCAB COc1nc(N2CCO[C@H](C(=O)N3CCOCC3)C2)ncc1Br 1888859862 AXBRGFZORXRFEM-NSHDSACASA-N 387.234 0.312 0 40 GCAB Cc1ccc(C(=O)N2C[C@H]3O[C@@H](C2)[C@H]2[C@H]3CN(CCN(C)C)S2(=O)=O)o1 2055739426 XLOLDIHRFSVOIL-DRPJVOAASA-N 383.470 0.003 0 40 GCAB O=C(CN1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@@H]1CCCO1 2087065428 GPJXKJYFAQJERA-KBPBESRZSA-N 375.416 0.240 0 40 GCAB Cc1cccc(NC(=O)N2CC3(C2)CS(=O)(=O)[C@@H](Cn2cncn2)CO3)c1 2332243263 WEPLPBVVPGCHOS-HNNXBMFYSA-N 391.453 0.687 0 40 GCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccnc1Cl 4278068 GUHFPQCACWZWGP-UHFFFAOYSA-N 388.767 0.920 0 40 GCAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C 6109707 QNHKCZULSBFIDW-SFHVURJKSA-N 396.465 0.270 0 40 GCAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ncccn3)CC1)C2=O 8231060 OUUYKGPPDHXJQC-LIRRHRJNSA-N 386.456 0.626 0 40 GCAB COc1cccc(N2C(=O)C(=O)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)c1 12846024 SDQIYFDRANYYSE-TXEJJXNPSA-N 375.381 0.626 0 40 GCAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(N)=O)Oc2ccccc21 30946373 HQHSNAWSGDPXCE-OAHLLOKOSA-N 375.406 0.951 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc3c(c2)OCO3)C[C@H](C)O1 40089320 DDNFLHINQVQRQS-KBPBESRZSA-N 398.481 0.903 0 40 GCAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc3sccn3c2=O)cc1 43751817 FCHNZNABLWPLRQ-UHFFFAOYSA-N 392.462 0.773 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 77100116 CDELBZRDSWXXPC-UHFFFAOYSA-N 395.422 0.615 0 40 GCAB CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H]1CCCC[C@H]1S(C)(=O)=O 78870286 UTONRBGOZCCDBJ-UONOGXRCSA-N 384.502 0.585 0 40 GCAB Cc1ccc(NC(=O)CSCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 84155085 CASCFMJBRNZLQK-MRXNPFEDSA-N 381.498 0.476 0 40 GCAB COc1nccnc1O[C@@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 225807899 WTJAFBLWWAMQOU-CYBMUJFWSA-N 384.458 0.137 0 40 GCAB Cn1ccc2cc([C@H](O)CNC(=O)N3CCN(S(C)(=O)=O)C3=O)ccc21 238819239 CFLQVVIGBWFUBW-CQSZACIVSA-N 380.426 0.619 0 40 GCAB CN1c2ccc(NC(=O)Cn3cnc(C4CC4)cc3=O)cc2N(C)S1(=O)=O 390830241 JRDZKDJIBJZDIL-UHFFFAOYSA-N 389.437 0.890 0 40 GCAB CN1CC[C@H](C(=O)NCCCNc2ccc(C(F)(F)F)cn2)S1(=O)=O 648735377 MXSAAERNAWJHIJ-LLVKDONJSA-N 380.392 1.053 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 3294761 SJVBFNKYVKZFNC-UHFFFAOYSA-N 390.421 0.387 0 40 GCAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2cc(C)on2)nc1N 9464852 VCHKLUHHIYZMAZ-UHFFFAOYSA-N 395.397 0.806 0 40 GCAB Cc1cc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)no1 10216392 VYKRBBGAGPBTLA-UHFFFAOYSA-N 375.410 0.968 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 12118928 AUJAEBIVYMRTQN-VXGBXAGGSA-N 379.442 0.413 0 40 GCAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)ccc1Cl 12781946 CQIPPHVUOXJGBE-CQSZACIVSA-N 394.902 0.897 0 40 GCAB C[C@H](O)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)O 14169184 DWGSIERYPHGXHY-SWLSCSKDSA-N 384.454 0.815 0 40 GCAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(=O)n1 19744330 GMHZPEOWLFRDOY-OAHLLOKOSA-N 396.451 0.841 0 40 GCAB COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCN(C)CC2)c1 20097638 WAFAVSQCODWEQP-UHFFFAOYSA-N 378.458 0.546 0 40 GCAB CCN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 20494867 PUEBVSXKWONBND-UHFFFAOYSA-N 381.498 0.626 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851157 YFEJSTAGVJOHSZ-HNNXBMFYSA-N 377.441 0.677 0 40 GCAB O=C(Cn1c(=O)ncc2c1cnn2[C@H]1CCS(=O)(=O)C1)NC1CCCCC1 32642377 KYDFZKQYBWEABX-ZDUSSCGKSA-N 393.469 0.402 0 40 GCAB CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58342090 PNOQKDURKDVJFT-QGZVFWFLSA-N 375.469 0.882 0 40 GCAB Cn1c(=O)c2nc(Cl)n(CC(=O)N(CCO)c3ccccc3)c2n(C)c1=O 59639040 XCDYANKRXMLEIR-UHFFFAOYSA-N 391.815 0.113 0 40 GCAB Nc1nc2c(cc1C(=O)N1CCOCC1)CN(C(=O)C[C@@H]1CCCCO1)CC2 72345689 LZLVFBAGEMLVOS-HNNXBMFYSA-N 388.468 0.980 0 40 GCAB O=C(C[C@@H]1CCCO1)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108455662 CWMAYBXRZHWLNZ-BBWFWOEESA-N 393.509 0.819 0 40 GCAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N2CCOCC2)cc1 390829374 DWVBOZQKRLMOIR-INIZCTEOSA-N 393.451 0.970 0 40 GCAB C[C@@]1(C2CCN(C(=O)[C@]3(C)Oc4ccccc4NC3=O)CC2)NC(=O)NC1=O 1586898464 ICANUDSJWXFQLN-RBUKOAKNSA-N 386.408 0.613 0 40 GCAB Cc1nc2ncnn2c(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c1C 1889175215 BEXUVXARBHCDML-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB Cn1cc(C(=O)N2CCC(C(=O)NCC(F)(F)F)(n3cccn3)CC2)cn1 2055782254 VSXFYXGRXCMBNF-UHFFFAOYSA-N 384.362 0.927 0 40 GCAB Cc1cnc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cn1 5604011 HQFSJPXAEVYNDU-UHFFFAOYSA-N 378.410 0.831 0 40 GCAB CCN(C(=O)c1ccc(=O)[nH]c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7986376 YWNBMBFYMCGICF-UHFFFAOYSA-N 381.392 0.522 0 40 GCAB CNC(=O)c1nnsc1Sc1c(C(=O)NC)nnn1-c1ccccc1N 8750888 XPYXSMSPWRNJBB-UHFFFAOYSA-N 390.454 0.571 0 40 GCAB CCOC(=O)C1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 9884714 ZGCZQKWZCRIOCZ-UHFFFAOYSA-N 383.470 0.861 0 40 GCAB O=C(NCCNS(=O)(=O)c1ccc(Cl)c2nonc12)c1ccccn1 12409855 GZTMZTRBGDWJGJ-UHFFFAOYSA-N 381.801 0.980 0 40 GCAB COCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 12597813 BXVRJEVDSBTAFV-UHFFFAOYSA-N 399.469 0.129 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13591737 QVYSYXNAPWSMPT-VBWZGLGNSA-N 375.400 0.727 0 40 GCAB COCCn1cnc2c1c(=O)n(CC(=O)NC(C)C)c(=O)n2Cc1ccccc1 14048170 SDZKBKWAZRPZFY-UHFFFAOYSA-N 399.451 0.579 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc2c1CCCC2 20573678 LGGOGUYFBJIOQI-UHFFFAOYSA-N 395.481 0.800 0 40 GCAB CS(=O)(=O)N1CCN(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)CC1 23145041 KQRZNDWYZUNQPR-UHFFFAOYSA-N 375.809 0.543 0 40 GCAB Cc1cnc(C(=O)N2CCC[C@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)cn1 57731247 MCKCTOMGNSNDDG-HNNXBMFYSA-N 399.455 0.401 0 40 GCAB CC(C)NC(=O)c1nsc(C(=O)N2CCN(c3ncccn3)CC2)c1N 62006836 QVMGGKFXWAYSHN-UHFFFAOYSA-N 375.458 0.616 0 40 GCAB CS(=O)(=O)c1ccc(CN[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)cc1 77264066 AAQMYXGDTZFTOP-KURKYZTESA-N 396.509 0.614 0 40 GCAB biogenic,in-vitro CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2Br)CC1=O 84199437 BVXZPQSKHOPQSO-UHFFFAOYSA-N 377.216 0.610 0 40 GCAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCN2C1=O 96269102 JVQMDHZIJLWUTA-CQSZACIVSA-N 383.408 0.911 0 40 GCAB biogenic,in-vitro O=C(Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)C2(F)F)c(=O)n1)OCc1ccccc1 113168403 KFZMOOGZFANFGH-IACUBPJLSA-N 397.334 0.878 0 40 GCAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225404425 VTTMDNPBGHTVMZ-ZIAGYGMSSA-N 381.502 0.780 0 40 GCAB CN(C)S(=O)(=O)c1ccc(OCc2ncc(C(=O)O)c(=O)[nH]2)c(Cl)c1 226105207 DKVNCLRDYVMTST-UHFFFAOYSA-N 387.801 0.951 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1)c1cnccn1 257304224 SKPILUFJZIQKFQ-YSHGAJCASA-N 384.436 0.488 0 40 GCAB COc1nc(CNC(=O)c2cc(=O)c3ccccc3o2)nc(N2CCOCC2)n1 575605447 ANWSKFKZMHYQSQ-UHFFFAOYSA-N 397.391 0.753 0 40 GCAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cn(C)nc1C)O[C@H](C)C(=O)N2 585274219 XPUSNEJMJBUTJO-SNVBAGLBSA-N 378.410 0.875 0 40 GCAB NS(=O)(=O)c1cnn(CC(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)c1 618764976 LECBNNCKIAPONC-AWEZNQCLSA-N 386.380 0.409 0 40 GCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2cncc(C)n2)CCO3)nc1 1565541697 RBIHQFKIAQNNRF-PXNSSMCTSA-N 398.467 0.560 0 40 GCAB CN(C(=O)c1cn(C)nn1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775972738 TYVLWIWNHCCEGX-UHFFFAOYSA-N 390.411 0.276 0 40 GCAB COc1cc(OC)nc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 1888853515 RSTVPWGMVBIKGJ-UHFFFAOYSA-N 387.444 0.447 0 40 GCAB CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 828777 ITUNHDZOLRREKF-SNVBAGLBSA-N 379.804 0.558 0 40 GCAB biogenic COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 1057343 YDJVIMGGBRRYIL-QGZVFWFLSA-N 389.408 0.725 0 40 GCAB Cc1cccc(OC[C@H](O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 2429770 SEBHRCKIABTDOX-LLVKDONJSA-N 378.816 0.835 0 40 GCAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccco2)cc1 4337185 UBYCREBHZJFYCR-MRXNPFEDSA-N 387.392 0.519 0 40 GCAB CN1CCN(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 4479741 MKCZRVREGCOXPY-ZDUSSCGKSA-N 375.429 0.025 0 40 GCAB CCOC(=O)N1CCN(C(=O)CSc2nnc(C(F)(F)F)n2N)CC1 5993360 NQGQFXOATPVPND-UHFFFAOYSA-N 382.368 0.404 0 40 GCAB Cc1ccc(N2CCn3c2nn(CC(=O)NC[C@H]2CCCO2)c(=O)c3=O)cc1 8849748 JGYPEDNLGRSFNW-OAHLLOKOSA-N 385.424 0.160 0 40 GCAB O=C(CSc1ncnc2sccc12)NC(=O)N[C@@H]1CCS(=O)(=O)C1 9712070 LZMPEEQZUVWCJO-MRVPVSSYSA-N 386.480 0.796 0 40 GCAB C[C@@H](SCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 12922571 VPYDSMJPIMDBEO-NEPJUHHUSA-N 396.490 0.708 0 40 GCAB CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 13098114 RKAWGJQJVZXQSC-INIZCTEOSA-N 394.497 0.812 0 40 GCAB Cc1cnc2c(C(=O)N3CCCC[C@@H]3CCNS(=O)(=O)N(C)C)cnn2c1 19748950 CUSZLNICITUBPX-CQSZACIVSA-N 394.501 0.819 0 40 GCAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1CCOCC1 32841070 PAKVCLOOLRYKBU-ZDUSSCGKSA-N 384.454 0.182 0 40 GCAB CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCN(C)C3 36646040 GSPRPLXVXZEMOK-UHFFFAOYSA-N 381.483 0.531 0 40 GCAB C[C@@H](NC(=O)[C@@H](C)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)cc1 78970398 GNFKUMXVVLAIHM-ZIAGYGMSSA-N 386.493 0.298 0 40 GCAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96243677 JTKKZVXPSQJYBS-AWEZNQCLSA-N 382.486 0.590 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 96345286 GXYLNYMFHFZIKT-UHFFFAOYSA-N 390.465 0.476 0 40 GCAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cnn2c(=O)cc[nH]c12 559275321 DTNFXSFSHQQTBR-AWEZNQCLSA-N 381.440 0.358 0 40 GCAB COC(=O)c1ccc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 575614896 CAHDSOBNWINUBS-UHFFFAOYSA-N 383.470 0.721 0 40 GCAB COCC(=O)N1CCNCCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C 643913191 JTSYEZPGHCQDMG-CAMMJAKZSA-N 390.521 0.013 0 40 GCAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 644404209 CZZDXAHDPKIDJP-DNVCBOLYSA-N 392.504 0.404 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(F)s2)CCO1 663025788 LAILYUSXIUKTHQ-VIFPVBQESA-N 380.419 0.074 0 40 GCAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(C(=O)O)CCC3)CC2)c1 663073836 FICWISOKQYOAEO-UHFFFAOYSA-N 394.449 0.629 0 40 GCAB COc1cc(OC)cc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c1 1888899351 CIUQXKYXLZQTBB-UHFFFAOYSA-N 385.486 0.952 0 40 GCAB Cn1cc(N2CCC(NS(=O)(=O)c3ccccc3F)CC2)c(=O)n(C)c1=O 1889141287 LNPXJCAKPZNTQT-UHFFFAOYSA-N 396.444 0.170 0 40 GCAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 851188 MPWLVKLYSAQSJO-OLZOCXBDSA-N 380.422 0.965 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@H](c3ccco3)N2)CC1 10157574 ITQCDYZUDUJRAB-STQMWFEESA-N 378.385 0.370 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)c2ccccc2)n(C)c1 14019309 PSWSNNFDAJVKAG-AWEZNQCLSA-N 379.438 0.967 0 40 GCAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N([C@H]2CCS(=O)(=O)C2)C3)cc1 15106392 FPGULWFXLPXKQS-XJKSGUPXSA-N 375.450 0.975 0 40 GCAB CN(CC(=O)N1CCN(c2ncccn2)CC1)S(=O)(=O)c1cccs1 17299266 OHEJTEXCVPIBLY-UHFFFAOYSA-N 381.483 0.507 0 40 GCAB O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCN(c2cnccn2)CC1 40039626 XOQXYUBGRHGQMS-UHFFFAOYSA-N 380.408 0.491 0 40 GCAB O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(c2ccccc2)CC1 49550609 PVHOUQKPPXOMPN-UHFFFAOYSA-N 383.452 0.429 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)cc1 77100117 IPFHPURIVUVRQC-UHFFFAOYSA-N 389.393 0.553 0 40 GCAB CN(C)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cn1 95998919 HCGHCFIGGFDZAM-HNNXBMFYSA-N 382.486 0.414 0 40 GCAB CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(C)(C)C(=O)O)CC2)s1 530140781 KQTDURZMEUAKDS-UHFFFAOYSA-N 376.460 0.271 0 40 GCAB O=S1(=O)C[C@H]2N[C@H]3CS(=O)(=O)C[C@@H]3N(Cc3cccc(Cl)c3)[C@@H]2C1 575423130 OKKXYBLYIOKFOT-NMWPEEMBSA-N 390.914 0.076 0 40 GCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575426402 SNCUAFCKHDYERP-QWRGUYRKSA-N 397.858 0.207 0 40 GCAB Cc1nnc2ccc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nn12 1889152053 GYFOXQDBSSXIIK-UHFFFAOYSA-N 381.444 0.386 0 40 GCAB NC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3235683 XCSVATUHRKRBDB-UHFFFAOYSA-N 381.344 0.563 0 40 GCAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2 3408364 SMHLCFOPONCCFO-UHFFFAOYSA-N 389.389 0.746 0 40 GCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 4303932 CCBFFNQTROVPCW-UHFFFAOYSA-N 386.799 0.586 0 40 GCAB OC[C@@H]1O[C@@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@@H](O)[C@@H]1O 4916590 VCRUCRQMQNMLHN-YPHNTLSLSA-N 392.412 0.869 0 40 GCAB Cc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)cc1C 5256953 IJGTXHLWOMUOKG-UHFFFAOYSA-N 377.426 0.717 0 40 GCAB CCn1c(=O)n(CC(=O)NCCCN)c(=O)c2c3c(sc21)COC(C)(C)C3 6760158 FWDXOHPDZDORNK-UHFFFAOYSA-N 394.497 0.561 0 40 GCAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccco1 9001407 OUCFFOQQHQUCHM-UHFFFAOYSA-N 391.387 0.911 0 40 GCAB COc1cc(OC)c2c(C)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc2c1 9481158 ZWHCNXRAPBZINZ-NSHDSACASA-N 395.433 0.964 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2C(C)C)n(C)c1=O 12232025 LBEFBKJSMIHBSB-UHFFFAOYSA-N 388.428 0.762 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CC(C)C)NC(N)=O)CC2)cc1 12892626 LZJOXUUUPGXDHX-INIZCTEOSA-N 396.513 0.911 0 40 GCAB CCn1nnc2c(N3CCN(CC(=O)NCCc4ccccc4)CC3)ncnc21 13534255 RBNGFPOPGSSKGL-UHFFFAOYSA-N 394.483 0.722 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572069 UFCUFNYWCRERRM-AJULVRJYSA-N 388.399 0.220 0 40 GCAB C[C@@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 14095959 HQFNRXCTURFPIY-MFKMUULPSA-N 391.453 0.969 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1O 18151886 WBOQFKRTRKHJIX-UHFFFAOYSA-N 377.422 0.738 0 40 GCAB CCc1nc(SCC(=O)Nc2nccs2)c2c(=O)n(C)c(=O)n(C)c2n1 20604915 WOVRKWUNEPXUDH-UHFFFAOYSA-N 392.466 0.777 0 40 GCAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N1CCNC1=O 32776270 CGQAIISDEQYZCM-LLVKDONJSA-N 384.483 0.899 0 40 GCAB O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 36360066 ZZDSCFAZGGLOTK-LLVKDONJSA-N 390.259 0.874 0 40 GCAB O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccccc1Br 36634090 ZYIYQDYWIGEWBY-CQSZACIVSA-N 382.258 0.691 0 40 GCAB Cc1cccc(OCCNC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)c1 60578446 HYLBWDWOYMPYSY-UHFFFAOYSA-N 389.433 0.839 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@@H](O)COc3ccc(Cl)cc3)C(=O)[C@@H]2C1 78752320 TZMWHBIWXHIJOC-YPMHNXCESA-N 382.804 0.107 0 40 GCAB CC[C@H](CO)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 95443524 WUCYBWGNSSAMNF-QMTMVMCOSA-N 380.489 0.402 0 40 GCAB CCNC(=O)COC(=O)C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC 100888562 NPUXWFLJTUEQGP-UHFFFAOYSA-N 382.413 0.559 0 40 GCAB CC(=O)NCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257298704 RMYJBAMWLFJXHA-BJLQDIEVSA-N 375.469 0.616 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C(C)=O 257317795 VLEQFUNIGGDXKC-KRWDZBQOSA-N 399.451 0.359 0 40 GCAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095360 RAKXWZFSWMKNKD-MRXNPFEDSA-N 384.502 0.911 0 40 GCAB Cc1noc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4cccnc4)CC[C@H]32)n1 585108740 QLTWIJTYQCAMJR-BZUAXINKSA-N 385.424 0.780 0 40 GCAB CC(=O)c1cc(C(=O)N2CC[C@@]3(C[C@H](NS(=O)(=O)C4CC4)CCO3)C2)n[nH]1 1565553943 NFIWKMJERQKYQK-SJKOYZFVSA-N 396.469 0.458 0 40 GCAB CC(C)C(=O)Nc1nc(CC(=O)N2C[C@@H](N)[C@H](c3nccn3C)C2)cs1 1615591459 OBAPWFAFXYACHC-CHWSQXEVSA-N 376.486 0.967 0 40 GCAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1 2656811 LMXZWNDOEQPBJE-UHFFFAOYSA-N 376.365 0.886 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1 3453287 NVGPMFVJTITNLI-AWEZNQCLSA-N 385.442 0.378 0 40 GCAB CN1CC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O 9578536 HVOHVJGXKMCXOM-AWEZNQCLSA-N 379.438 0.096 0 40 GCAB COCCn1c(C(=O)NCCc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 11835554 YWWGTTPPERLHNO-UHFFFAOYSA-N 384.436 0.658 0 40 GCAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC[C@@H]2CCCO2)ccc1F 13371804 YGYIVCUBXXZALK-RCBQFDQVSA-N 391.486 0.842 0 40 GCAB COc1ccc(OC)c(CC(=O)N2CC[C@@]3(NC(C)=O)CN(C)C[C@H]3C2)c1 19711674 CWHYTPUJNMPENK-OXJNMPFZSA-N 375.469 0.915 0 40 GCAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1=O 49468551 PHIWKLGZNZIBNB-UHFFFAOYSA-N 393.421 0.274 0 40 GCAB CN(Cc1nnc2ccccn12)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58226318 ZLOATTQNKSVHPE-UHFFFAOYSA-N 378.392 0.781 0 40 GCAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)Nc1cccc(CN2CCOCC2)c1 108088906 JNJHHOIYYYLLPH-RWQQGDIJSA-N 399.447 0.620 0 40 GCAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 408707446 BDNRPWYKJZSRNE-UHFFFAOYSA-N 376.457 0.602 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cccc(N)n2)CCO1 585282978 LDNLUJLDLDFYIZ-IBGZPJMESA-N 388.399 0.969 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 681943463 WZDTUKUMOSMAQT-AWEZNQCLSA-N 378.381 0.118 0 40 GCAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)NC1CS(=O)(=O)C1 1565549626 WQULYNMUXKSUMF-OIISXLGYSA-N 379.482 0.222 0 40 GCAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C1CC1 1886615 DGGPMTIAHLLFKR-INIZCTEOSA-N 394.309 0.762 0 40 GCAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCCC1 3376796 DTGNTGXLMGNYEL-UHFFFAOYSA-N 395.481 0.817 0 40 GCAB COc1ccccc1-n1c(C)nnc1SCC(=O)O[C@@H](C)C(=O)NC(N)=O 3399545 JLXHNPNKBOBOPS-VIFPVBQESA-N 393.425 0.803 0 40 GCAB CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C)c1 4554295 GUIKAGDIKBRGIL-ZDUSSCGKSA-N 385.461 0.930 0 40 GCAB Cn1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 6828049 HBLOJSVIZRGKLI-RQJABVFESA-N 388.380 0.760 0 40 GCAB O=C(COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)NC1CC1 7547523 OCVNFWLFJUZPNZ-GFCCVEGCSA-N 391.449 0.669 0 40 GCAB CN(C(=O)CSc1nnnn1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 9647786 VFTPZTWJOSTGBA-JTQLQIEISA-N 387.512 0.521 0 40 GCAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1C1CC1 12767136 OHMQOJWYMOHGDZ-JTQLQIEISA-N 382.490 0.993 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OC)c2ccccc2)n(C)c1 14019312 PSWSNNFDAJVKAG-CQSZACIVSA-N 379.438 0.967 0 40 GCAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nnc3n2CCNC3)CC1 19711268 LWIBFIKDTXWXRW-HNNXBMFYSA-N 386.500 0.878 0 40 GCAB COc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c(OC)c1 22997033 IQBKVMNTOFJOEB-MRXNPFEDSA-N 395.456 0.798 0 40 GCAB O=C(Cc1noc(C(=O)NCC(=O)N2CCCC2)n1)Nc1ccc(F)cc1F 36357287 QGKAISRRNGUFQH-UHFFFAOYSA-N 393.350 0.881 0 40 GCAB O=C(Cn1cc(Br)ccc1=O)N1CCN(c2ncccn2)CC1 39983589 RKARILVEFPYWPP-UHFFFAOYSA-N 378.230 0.750 0 40 GCAB CC(C)[C@H]1NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O 40067380 PXXLREINXJQNCR-FUHWJXTLSA-N 388.468 0.580 0 40 GCAB COc1ccccc1N1CCN(C(=O)Cn2cc(OC)c(=O)cc2CO)CC1 71282076 YZKOWLIRUVCFPB-UHFFFAOYSA-N 387.436 0.707 0 40 GCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)COc3ccccc3F)cc2)c1=O 77100170 GBSRHIGBTLKHDM-UHFFFAOYSA-N 386.343 0.071 0 40 GCAB Cc1noc(C)c1S(=O)(=O)NC[C@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1 107430694 AWEAMJJOAKMLQF-SCAQPMJSSA-N 397.453 0.546 0 40 GCAB biogenic,in-vitro CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 225747601 STOFSPDTWCVPRP-UHFFFAOYSA-N 386.451 0.148 0 40 GCAB CC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2 585271049 GDKQLKGIOSJGQH-GXFFZTMASA-N 395.437 0.530 0 40 GCAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC(N)=O)c1C 3363901 MPYMTZZWESIZTM-STQMWFEESA-N 399.469 0.714 0 40 GCAB CCCn1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc21 4900673 GAESASVODRFEPK-UHFFFAOYSA-N 395.423 0.832 0 40 GCAB CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)C 7723152 OCXBSZYJTLMBJF-MRXNPFEDSA-N 385.461 0.819 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(O)nc2)CC1 10095820 ZBOBEZFMTIZAOQ-UHFFFAOYSA-N 380.426 0.929 0 40 GCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 12492204 ORPWLMJRWWIUFM-XWKQNIGYSA-N 389.433 0.468 0 40 GCAB C[C@H]1Oc2ccc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2NC1=O 12821634 WFGJQXMDENXAFY-SECBINFHSA-N 395.375 0.604 0 40 GCAB O=C1NCCN(C2CCCC2)[C@@H]1CC(=O)N1CCN(Cc2ccccn2)CC1 19401785 NBUXWGMOZZSWHV-LJQANCHMSA-N 385.512 0.859 0 40 GCAB CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)cc21 19663746 KWRORHAJLOABMN-CQSZACIVSA-N 394.497 0.535 0 40 GCAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 19759265 UIXSMXLSGKBGDR-OAHLLOKOSA-N 396.517 0.974 0 40 GCAB O=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NCc1ccco1 32781539 KUKACSIYXNBGQN-UHFFFAOYSA-N 377.422 0.767 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NC)c2)CC1 32907634 RVJBCULZWKNDTC-UHFFFAOYSA-N 389.499 0.139 0 40 GCAB CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 40149782 CHXNNPCXJTXFDD-GFCCVEGCSA-N 389.499 0.274 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70999718 VASCILQQGOLQLW-UHFFFAOYSA-N 388.409 0.879 0 40 GCAB CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 78743319 YKJDNMFHCVFZPN-OAHLLOKOSA-N 377.466 0.988 0 40 GCAB Cc1cc(N2CC[C@H](NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C2=O)n(C)n1 89591793 FLPAKLOMKMSFJG-WFASDCNBSA-N 395.419 0.635 0 40 GCAB O=C(C1CCC1)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 96243727 YIZBXOOJGWJYQJ-INIZCTEOSA-N 388.468 0.759 0 40 GCAB Cc1cc(C)n2nc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)nc2n1 225632861 NHOBZTATAMPVKW-UHFFFAOYSA-N 395.427 0.152 0 40 GCAB Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)CCO)c1 257250252 JLTBBOHKJCYEPZ-ZRNYENFQSA-N 385.464 0.993 0 40 GCAB COc1ccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)cc1 306125016 CEPWSHVBRNGGNR-QGZVFWFLSA-N 384.484 0.693 0 40 GCAB O=C(c1ccco1)N1CC[C@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 306130625 JLKXRJSLLRBVCY-IBGZPJMESA-N 386.408 0.928 0 40 GCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1 514290324 XHNIFLRUFIHCSD-RTBURBONSA-N 379.464 0.622 0 40 GCAB biogenic,in-vitro Cn1cc(-c2ccc3c(c2)[C@@H]2CN(C(=O)C4CC(O)C4)C[C@@H]2S3(=O)=O)cn1 585110048 BKHMXIHQQVNVQU-DGHFUHBMSA-N 387.461 0.940 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2nn(C)c3ccccc23)CCO1 643429685 MYIYCJMLOYQWNL-CQSZACIVSA-N 388.424 0.276 0 40 GCAB Cc1ccc(C(=O)N2C[C@H]3O[C@@H](C2)[C@@H]2[C@H]3CN(CCN(C)C)S2(=O)=O)o1 2055739428 XLOLDIHRFSVOIL-UKMLZYKCSA-N 383.470 0.003 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)c1 2055746421 BQYBTLPWPAFERQ-YNEHKIRRSA-N 392.441 0.017 0 40 GCAB CC(C)OC[C@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 4454238 RSSJWGNEQONMJM-CYBMUJFWSA-N 379.461 0.954 0 40 GCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 4535674 FPPNZSSZRUTDAP-DEKYYXRVSA-N 378.406 0.487 0 40 GCAB COCCOCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6510132 BKZHPOSRSHFQDY-UHFFFAOYSA-N 376.862 0.836 0 40 GCAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 7777736 XKXLHRVRLSVQCK-INIZCTEOSA-N 380.408 0.953 0 40 GCAB CC1(C)NC(=O)N(CCC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O 8405517 PHDRGUIJZFWDNO-UHFFFAOYSA-N 378.454 0.753 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCOC3=O)c2)C[C@@H](C)O1 12811115 AJZNPYAUOHWYHG-TYNCELHUSA-N 383.422 0.957 0 40 GCAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)c2ccccc2O1 13265582 DJYLWKZIQBPFBS-CQSZACIVSA-N 380.353 0.966 0 40 GCAB C[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 14095960 HQFNRXCTURFPIY-GWCFXTLKSA-N 391.453 0.969 0 40 GCAB CCCCn1c(N)c(N(CCOC)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O 14624673 WXLCDWQUFQGKQW-UHFFFAOYSA-N 376.417 0.311 0 40 GCAB COCCn1c(N)c(C(=O)CN(C)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O 22060343 YISGWCPLWDKGGB-UHFFFAOYSA-N 398.822 0.872 0 40 GCAB NC(=O)CCc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1C1CC1 32895026 LGMMZMCZVKDUFX-UHFFFAOYSA-N 392.441 0.742 0 40 GCAB N[C@H](C(=O)N1CCOCCOCCOCCOCCOCC1)c1ccccc1 39988432 JFOABEUBSGGURR-IBGZPJMESA-N 396.484 0.612 0 40 GCAB CC(C)(CNC(=O)NCc1ccnc(N2CCOCC2)c1)N1CCOCC1 45857707 SSALWEVDQZQGJY-UHFFFAOYSA-N 377.489 0.828 0 40 GCAB CC(C)OCc1cccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 72264790 KAVBGLCSZZZFMJ-UHFFFAOYSA-N 376.500 0.878 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100412 IKOVHCZPRFZWFI-SECBINFHSA-N 375.332 0.598 0 40 GCAB O=C(CCCNC(=O)c1ccc(F)cc1)NC[C@H]1CCC[C@]12NC(=O)NC2=O 95405233 NPJLUIJBVACWMW-YJYMSZOUSA-N 390.415 0.830 0 40 GCAB COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(N)=O)CC4)c3CO2)cc1 97161376 VMNQKRJALWUAKS-MRXNPFEDSA-N 385.424 0.896 0 40 GCAB Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 517965277 YOCZGVFSJMASPL-RZLSGREXSA-N 399.517 0.515 0 40 GCAB O=C(c1csnn1)N1CCc2ccc(OCCN3CCOCC3)nc2CC1 1565551569 HTAFGSHGLBZRHE-UHFFFAOYSA-N 389.481 0.885 0 40 GCAB CC(=O)NCCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 4906436 FDZOQFPBTQKALM-KGLIPLIRSA-N 396.494 0.233 0 40 GCAB COC(=O)Cn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4930260 PPGUAJKBBWGRMB-TXEJJXNPSA-N 377.445 0.085 0 40 GCAB CC(=O)CN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C 5148203 BRWXTLGSHJCNFZ-UHFFFAOYSA-N 388.428 0.297 0 40 GCAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6947651 LKQRAWKFLOSQLA-UHFFFAOYSA-N 397.497 0.694 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 8844910 DXAPTFJIJXGBGS-SCLBCKFNSA-N 380.445 0.788 0 40 GCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)NCc1cccs1 16583604 NYBTZTSBEJQNMU-UHFFFAOYSA-N 379.419 0.919 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)n1 19131027 BLOJTKNVYNWVHO-HXUWFJFHSA-N 382.420 0.735 0 40 GCAB CNCc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 19709641 LSVJWPXTHLYKQT-CQSZACIVSA-N 382.534 0.782 0 40 GCAB CCc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 21420619 WFYANWFVZJNKAG-UHFFFAOYSA-N 388.512 0.972 0 40 GCAB CC[C@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229503 CDBOEKXNMGXODQ-AWEZNQCLSA-N 397.497 0.281 0 40 GCAB CC(=O)[C@@H](C)n1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 36390046 JWFHZPWCTJXYPS-SDDRHHMPSA-N 377.445 0.193 0 40 GCAB O=C(Cc1ccc(-n2cccn2)cc1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 40108818 FEEOKPUIXKGJCF-HNNXBMFYSA-N 390.465 0.224 0 40 GCAB CN(C)CCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225800601 NAZQDUGOBNHYOZ-UHFFFAOYSA-N 385.486 0.682 0 40 GCAB Cc1c(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)nnn1-c1ccc(F)c(F)c1 567938885 KOEXUEXLFGJJEM-LLVKDONJSA-N 385.396 0.747 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@@H](O)CO)[C@H]1CCS(=O)(=O)C1 575426227 OZWLJLYBTLNCPL-QWHCGFSZSA-N 397.902 0.179 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 1614932544 CIPMJGMZZBDQQL-KRWDZBQOSA-N 394.453 0.592 0 40 GCAB CC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 2601351 LHEXNXATUQAZIJ-CQSZACIVSA-N 386.261 0.511 0 40 GCAB COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O 2971784 VZBXVTUOURPJRM-UHFFFAOYSA-N 392.481 0.777 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1OC(C)=O 4974690 UNTYIYCXVYMWKI-OUAUKWLOSA-N 380.275 0.338 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H]2O[C@](C)(OC(C)C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O 5440056 JCJBPCYHIVDESZ-XXJXLTMMSA-N 390.385 0.652 0 40 GCAB COC(=O)CNC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1 12324103 ISHAJJMBAKJWTN-UHFFFAOYSA-N 399.450 0.784 0 40 GCAB Cc1ccccc1Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 12532021 MDDDOJOQHHWHQO-UHFFFAOYSA-N 383.452 0.623 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCc2coc(-c3ccccc3)n2)n(C)c1=O 22738132 MKOAACGKCHLFBM-UHFFFAOYSA-N 395.375 0.832 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38946521 SGABFBPKAIVQJF-LSDHHAIUSA-N 386.481 0.777 0 40 GCAB CCONC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 45013566 BREZPHXAPSBKPQ-UHFFFAOYSA-N 379.232 0.870 0 40 GCAB Cn1ncc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1-n1cccc1 61717539 JJBDRSAYZMKYIQ-AWEZNQCLSA-N 377.470 0.156 0 40 GCAB CCNC(=O)Cn1c(=O)/c(=C/c2ccccn2)s/c1=C/C(=O)c1ccco1 96920418 OTFMEDPTNICFBL-WBQIDJJASA-N 383.429 0.526 0 40 GCAB Cc1noc(-c2cn(CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)nn2)n1 225583502 NFEVKKGOOJGSPE-GFCCVEGCSA-N 399.386 0.945 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)CC1 244942706 CVVIYZZEPYRFIW-SHTZXODSSA-N 382.486 0.954 0 40 GCAB O=C(/C=C/c1cccs1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1 643586613 ZFBZNQVTCZGDFV-YMGKLVEKSA-N 399.509 0.624 0 40 GCAB O=S(=O)(c1ccc(OC[C@H](O)CN2CCCCC2)cc1)N1CCOCC1 3211795 KXIHULXPZXQAGP-MRXNPFEDSA-N 384.498 0.933 0 40 GCAB Cn1cnc2c1c(=O)n(CCCOC(=O)c1n[nH]c3ccccc13)c(=O)n2C 6370681 NJWNNZYJUXMKCO-UHFFFAOYSA-N 382.380 0.557 0 40 GCAB CC[C@@H](C)NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11904211 JFOXDKFFRYZHEX-SNVBAGLBSA-N 376.456 0.839 0 40 GCAB COc1ccc(N2CCn3c2nnc(C(=O)NCCCn2ccnc2)c3=O)cc1 12233917 ASVPFCSGPDUCKH-UHFFFAOYSA-N 395.423 0.815 0 40 GCAB C[C@@H](NC(=O)c1ccn(C)n1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366292 MBXITXRPDLQCKF-GDBMZVCRSA-N 385.468 0.890 0 40 GCAB C[C@H]1C(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C(=O)N1c1ccccc1 12923816 JQRFABFVXVSBGE-HNNXBMFYSA-N 394.435 0.983 0 40 GCAB O=C(Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)NC1CCCCC1 16849798 WFGNKUVYPXXAQE-CYBMUJFWSA-N 393.469 0.402 0 40 GCAB C[C@@H](C(=O)N1CCOCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326424 IOOYEBIYOVWXHR-ORAYPTAESA-N 387.440 0.193 0 40 GCAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c1=O 77100206 LNBBMRBRSPWEGU-CYBMUJFWSA-N 396.407 0.581 0 40 GCAB C[C@H](O)CN(C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 95461850 JCKZLVYTYXUNAL-QMMMGPOBSA-N 392.275 0.641 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCCC1=O 95473934 GRXFJNQNLVNBSL-UHFFFAOYSA-N 398.828 0.953 0 40 GCAB CC(C)[C@]1(O)[C@@H](O)[C@H]2O[C@@]23[C@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@H]2O[C@]23[C@@H]1O 100794666 DYVDZVMUDBCZSA-YFZRSBSRSA-N 378.421 0.058 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1 225515681 XPOHKXZUDWVIEA-SZVRAQGESA-N 392.443 0.592 0 40 GCAB biogenic,in-vitro COCCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1 245053578 PBASDMOBAMGRHP-UHFFFAOYSA-N 379.438 0.727 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1 408587432 BVTFWYRLPMWRMD-UHFFFAOYSA-N 383.514 0.754 0 40 GCAB Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)c3csc(C(=O)O)c3)CCO2)n1 564920126 ZGCFRYDHJFOVJV-NSHDSACASA-N 386.455 0.744 0 40 GCAB CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)O)N2c2cnn(C)c2)CC1 630655000 HYXOCUVKRLHKTG-JKSUJKDBSA-N 391.472 0.559 0 40 GCAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCN(S(C)(=O)=O)[C@H](C)C1 656762490 DDRWOFZBIHZKTP-OLZOCXBDSA-N 383.470 0.355 0 40 GCAB CCn1cc(N2CCC[C@@H](Nc3ncnc4c3ncn4C)C2)c(=O)n(CC)c1=O 2298218158 UEALSIRGRABNRL-CYBMUJFWSA-N 398.471 0.807 0 40 GCAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 4370746 WTIOQVIOTUFBJC-UHFFFAOYSA-N 385.380 0.532 0 40 GCAB COC(=O)CN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(F)ccc21 4475699 JQYWAPPRPSVSKQ-INIZCTEOSA-N 394.384 0.501 0 40 GCAB CC(=O)OC[C@H]1O[C@@H](n2ccc(=S)nc2O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4877471 VOSWRYRYGCAHQU-VZZFWQQMSA-N 386.382 0.642 0 40 GCAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299748 IMSMXNAXBBPXRK-OAGGEKHMSA-N 377.489 0.513 0 40 GCAB biogenic,in-vitro CCOC(=O)C1=C(COC(=O)[C@@H](C)NC(=O)c2ccccc2)NC(=O)N[C@H]1C 12917248 QQVZFEKKCRBYKY-NWDGAFQWSA-N 389.408 0.867 0 40 GCAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccncc1 19346654 MHNGKBVHOLGLEL-FQEVSTJZSA-N 394.435 0.657 0 40 GCAB CN1CCc2c(n(C[C@@H](O)CN3CCN(CCO)CC3)c3ccccc23)C1=O 19831850 LARLRNCEQRCZLJ-INIZCTEOSA-N 386.496 0.240 0 40 GCAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3[C@H](O)[C@@]21C 22457071 HMSAIGOZLMKVAN-DZXHNVRKSA-N 378.513 0.881 0 40 GCAB biogenic Cn1c([C@@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)Nc2ccccc2)c1=O 23141161 XPLYPFOPXKRYBB-CYBMUJFWSA-N 393.469 0.360 0 40 GCAB CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(C)=O 28539539 MOIDFPMKXOENDU-GOOCMWNKSA-N 381.312 0.494 0 40 GCAB CC(C)[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)NC(N)=O 29664631 AOISBWGSKPFNKL-NSHDSACASA-N 380.430 0.725 0 40 GCAB COCCN1C[C@@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O 45297084 MNHCQMGAWGXUTQ-AWEZNQCLSA-N 386.452 0.988 0 40 GCAB O=C1NCCc2ccc(S(=O)(=O)N3CCCC[C@@H]3Cn3ccnn3)cc21 95469258 CDXMVIRCKCAOLY-CQSZACIVSA-N 375.454 0.807 0 40 GCAB C[C@H](C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21)N1CCOCC1 95482141 VRIRTIDWJJYXNL-CYBMUJFWSA-N 381.454 0.379 0 40 GCAB O=C(c1noc2c1CCCC2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998907 RFLXVDBDOPUQSP-ZDUSSCGKSA-N 383.470 0.820 0 40 GCAB CC(=O)N[C@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 216307927 FRTSLPFLUVGQPA-OMQSBVIBSA-N 389.404 0.733 0 40 GCAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 226746824 WPBQNLINXQHVHF-UONOGXRCSA-N 384.440 0.947 0 40 GCAB O=C(C1CN(c2cc(-n3ccnc3)ncn2)C1)N1CCN(c2ncccn2)CC1 575610910 ZZSZXCMOWOMFEK-UHFFFAOYSA-N 391.439 0.237 0 40 GCAB CC(=O)NC[C@]1(O)CCN(Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O 585270031 CCJUQBBAEWKIFD-WOJBJXKFSA-N 388.468 0.396 0 40 GCAB CC(C)(C(=O)O)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 630224683 DHETZHULGUYEMU-UHFFFAOYSA-N 378.404 0.976 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nccn2)cc1 675008053 SDDWRZDFRMQCMO-CQSZACIVSA-N 389.437 0.785 0 40 GCAB COc1ccc(CC(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)cc1F 1614928850 TUVWKZGCRBDXRJ-CZUORRHYSA-N 386.445 0.496 0 40 GCAB Cn1c(=O)c2c(SCC(N)=O)nc(-c3ccccc3Cl)nc2n(C)c1=O 5056563 KOSWYTCFUKLRKG-UHFFFAOYSA-N 391.840 0.925 0 40 GCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 5896435 DGUHHWJFOCVKSP-UHFFFAOYSA-N 386.431 0.753 0 40 GCAB Cc1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1C 7777238 JIRPWTZIFIZGMA-QWHCGFSZSA-N 388.515 0.410 0 40 GCAB CC(C)CCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C 8658327 BAYUKLMEHBXPPB-UHFFFAOYSA-N 376.461 0.182 0 40 GCAB Cc1cccc(-n2nnnc2SCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 8923643 QYYKXEHGIBFFIM-UHFFFAOYSA-N 396.498 0.167 0 40 GCAB COC(=O)c1ccc(CSc2nnc(CCn3ccc(=O)[nH]c3=O)o2)o1 12444071 FWVPHRHXKQRUFL-UHFFFAOYSA-N 378.366 0.834 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12780155 ZMMULCPLZXQPOT-NSHDSACASA-N 382.419 0.976 0 40 GCAB CCn1c(=O)c(C(=O)CSc2ncn[nH]2)c(N)n(Cc2ccccc2)c1=O 21977758 HIDHFBOUOKUZOA-UHFFFAOYSA-N 386.437 0.754 0 40 GCAB Cn1nc(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1=O 22061625 VVWIHSCRBBMXCI-UHFFFAOYSA-N 393.421 0.158 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 58106412 MNDULQFPEOBYME-CYBMUJFWSA-N 380.470 0.618 0 40 GCAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)NCC[C@@H]3CCCO3)c2)CCN1 58224771 SKTARKHCHGKXJL-AWEZNQCLSA-N 396.469 0.498 0 40 GCAB COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)NN 95117046 QJSZEFDJXBJERB-UHFFFAOYSA-N 385.467 0.981 0 40 GCAB O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 96004976 RRAXWJVKLVAWJM-OAHLLOKOSA-N 389.499 0.470 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)=O 257206549 BDXWXHXXBOGRPL-OAHLLOKOSA-N 388.424 0.098 0 40 GCAB O=C(C1CC1)N1CC[C@]2(C1)Cn1c(nn(Cc3ccccc3)c(=O)c1=O)CO2 306133837 MXQLGCVSBMOBGW-FQEVSTJZSA-N 382.420 0.365 0 40 GCAB O=S1(=O)N[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2Oc2ccccc21 514289996 QSXIYLMRJDGKBF-HIFRSBDPSA-N 380.447 0.799 0 40 GCAB biogenic,in-vitro CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 514290083 SMKHEEFZPGNSQZ-RTBURBONSA-N 386.496 0.045 0 40 GCAB biogenic,in-vitro Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCn1cnc(C2CC2)cc1=O 585236395 HWSVYEZEUCZFDG-CYBMUJFWSA-N 387.465 0.839 0 40 GCAB CC(=O)N1CCC(N2CC3(CN(C(=O)C(C)C)C[C@@H]4COCCN43)C2)CC1 604382022 ZIGCVXMKMVFBHR-GOSISDBHSA-N 378.517 0.251 0 40 GCAB biogenic,in-vitro O=C(NCC1CC1)c1nnc2n1CCCC21CCN(C(=O)C2CC(O)C2)CC1 1565553747 DJCVUSJNMOPSEM-UHFFFAOYSA-N 387.484 0.843 0 40 GCAB Cc1csc(C(=O)N2C[C@H]3O[C@@H](C2)[C@@H]2[C@H]3CN(CCN(C)C)S2(=O)=O)c1 2055739038 IZQAIBCNFTYRAP-FQLMCAECSA-N 399.538 0.472 0 40 GCAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2C)c1 9632629 SMRRIAPMSPCETJ-UHFFFAOYSA-N 390.878 0.845 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1OC(F)(F)F)c(=O)n2C 12531636 HUCSQLMTQYIZNS-UHFFFAOYSA-N 397.313 0.971 0 40 GCAB C[C@H](SCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 12922576 VPYDSMJPIMDBEO-RYUDHWBXSA-N 396.490 0.708 0 40 GCAB C/C(Cl)=C/Cn1c(NCCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C 22768331 FAPYGYCVMRSVGR-QCDXTXTGSA-N 396.879 0.700 0 40 GCAB NC(=O)c1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc(C(N)=O)c1 22830126 QQVXYKIRJMVSML-UHFFFAOYSA-N 382.298 0.704 0 40 GCAB O=S(=O)(Cc1ccccc1)NCCNS(=O)(=O)N1CCCCCC1 30437764 NPKNLNJHNBPOPQ-UHFFFAOYSA-N 375.516 0.816 0 40 GCAB NC(=O)NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399432 SRAYSCLICADVCW-MRVPVSSYSA-N 376.760 0.788 0 40 GCAB Cc1cc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c2c(C)nn(C)c2n1 58266651 IUCKRCDPSMRKCT-UHFFFAOYSA-N 379.424 0.973 0 40 GCAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1 60348770 LCMRSYQNGMPWDP-ZDUSSCGKSA-N 376.456 0.250 0 40 GCAB C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccco2)ccc1=O 70655589 OWUKXONOQPISFH-LBPRGKRZSA-N 380.426 0.168 0 40 GCAB O=C(CCc1nnc2ccccn2c1=O)NCCCc1nnc2ccccn12 95473218 ILAFRGWKUVTUJG-UHFFFAOYSA-N 377.408 0.814 0 40 GCAB O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N[C@@H](CO)Cc1ccccc1 95482637 CWKBGAIOFYMOAT-GOSISDBHSA-N 379.420 0.985 0 40 GCAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cnccn1)C2 96050162 GZDVWLYAJIBLFD-HXUWFJFHSA-N 379.420 0.957 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](N4C(=O)CSC4=O)C3)cc21 206978514 PMGCWTIOEJXIRB-VIFPVBQESA-N 397.434 0.590 0 40 GCAB Cc1cc(CNS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(F)c2)n(C)n1 226686767 UAAIKCXXIUWCQY-UHFFFAOYSA-N 384.433 0.813 0 40 GCAB CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 575421078 HNFZVNVHSITITM-QWRGUYRKSA-N 384.273 0.228 0 40 GCAB COc1ccc(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O 575426765 ZKXLDDMHQNVAHX-OAHLLOKOSA-N 390.483 0.851 0 40 GCAB CN1CCC(N2CC3(CN(C(=O)c4ccccc4)C[C@@H]4COCCN43)C2)CC1 604381975 XILQAKUXIFNOLD-HXUWFJFHSA-N 384.524 0.992 0 40 GCAB biogenic,in-vitro CN1C[C@H](C(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)CC1=O 1775995342 OXNRLFGFZSJDMP-OAHLLOKOSA-N 397.483 0.909 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCc2ncc(-c3ccccc3)o2)n(C)c1=O 6371108 YBLGCYRCXRKNDP-UHFFFAOYSA-N 395.375 0.832 0 40 GCAB C[C@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)NC(N)=O 8780488 JMYJRMSEGXVXPW-ZETCQYMHSA-N 398.422 0.038 0 40 GCAB Cn1c(=O)c2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2n(C)c1=O 12241682 JUQDYHAWPQOVFF-XQQFMLRXSA-N 377.466 0.952 0 40 GCAB COC(=O)CNC(=O)CSCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 12408460 WTOLHRDXZMAQTM-UHFFFAOYSA-N 381.410 0.463 0 40 GCAB CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 12783640 KCCAGUCDGBMXBX-KRWDZBQOSA-N 381.498 0.576 0 40 GCAB COC(=O)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 24482185 IFXXXMJTTVNZJR-LLVKDONJSA-N 377.440 0.046 0 40 GCAB COc1ccc(C2=NN[C@@]3(C2)NN=C(c2ccccc2N)NC3=O)cc1OC 40158688 QOKPDIYUFUZHGX-IBGZPJMESA-N 380.408 0.761 0 40 GCAB O=CN1CCN(CC(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)CC1 40386411 BLAHPKUVTSEFAI-KRWDZBQOSA-N 384.436 0.329 0 40 GCAB C[C@@H](CNC(=O)c1cn(CCN(C)C)nn1)N1CCN(c2ccccc2)CC1 78870061 SZVCXJYWJLKSMI-KRWDZBQOSA-N 385.516 0.780 0 40 GCAB COc1ncccc1C(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998310 JDLWXUSYHVRFCI-QGZVFWFLSA-N 398.467 0.777 0 40 GCAB COC(=O)C1=C(O)[C@@]2(C(=O)OC)CC(C(=O)OC)=C(O)[C@](C(=O)OC)(C1)C2 100405878 RTOPVTVAOFUQAH-CALCHBBNSA-N 384.337 0.473 0 40 GCAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@@H]1C 100986169 DWUBVTFHAOGKPT-GMTAPVOTSA-N 379.486 0.993 0 40 GCAB CN1C[C@@H](C(=O)N(C)Cc2ccccn2)O[C@]2(CCN(C(=O)N(C)C)C2)C1 306131585 KJEXRCYFKJTYGC-QFBILLFUSA-N 375.473 0.497 0 40 GCAB Cc1ccnn1-c1ccccc1NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 626496872 XAGBIAWMZBUKIK-AWEZNQCLSA-N 393.469 0.963 0 40 GCAB Cc1nc(CN2CC3(CCN(C(=O)c4ncn(C)n4)CC3)OCC2=O)cs1 1565555040 ORNPPSQAUKHBCB-UHFFFAOYSA-N 390.469 0.614 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)CN(C)C(C)C)CC2)CN1S(C)(=O)=O 1614946609 MWFSOFFSMRDPKV-HNNXBMFYSA-N 375.535 0.616 0 40 GCAB CO[C@@H](C(=O)N1CCC(O)(CNc2ncnc3c2cnn3C)CC1)C(C)C 1615610458 DGNUEVJXBZMCQL-CQSZACIVSA-N 376.461 0.800 0 40 GCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 3871881 FPPNZSSZRUTDAP-ZHSDAYTOSA-N 378.406 0.487 0 40 GCAB biogenic OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(OCc1ccccc1)OCc1ccccc1 5699611 YMTLBGVCGZMOLY-YRXWBPOGSA-N 378.421 0.182 0 40 GCAB O=C(O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CCCC3 6661224 NNZGYKPEAAHOCZ-UHFFFAOYSA-N 393.465 0.520 0 40 GCAB CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 8993495 WJTDZOVUEVKSCS-OLZOCXBDSA-N 384.479 0.831 0 40 GCAB O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)NCc1ccc2c(c1)OCO2 9949185 SHPMYXZRQTTWNI-INIZCTEOSA-N 391.355 0.503 0 40 GCAB COc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1S(N)(=O)=O 14139389 XXFJKZQGGBRDSU-UHFFFAOYSA-N 389.393 0.086 0 40 GCAB COCCCNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19593305 JAWZNGDQWGOQCY-HXUWFJFHSA-N 389.452 0.713 0 40 GCAB COc1ccccc1N1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 20963943 LAHABYSDAUZDLO-UHFFFAOYSA-N 398.467 0.265 0 40 GCAB Cc1csc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 24683605 IRFMANYJAUVQQA-UHFFFAOYSA-N 394.478 0.502 0 40 GCAB CN(C)c1nc(N)nc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 24966322 VKKKGHDSLROHKI-UHFFFAOYSA-N 384.396 0.639 0 40 GCAB CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 25196984 WWMNEKFHMYAZIN-UHFFFAOYSA-N 379.482 0.470 0 40 GCAB NS(=O)(=O)c1ccc(C(=O)NCCOc2cc(N3CCCC3)ncn2)cc1 36708010 DYBAIYYPLZOPGJ-UHFFFAOYSA-N 391.453 0.533 0 40 GCAB O=CN1CCN(CC(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)CC1 40386409 BLAHPKUVTSEFAI-QGZVFWFLSA-N 384.436 0.329 0 40 GCAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC1 72297602 YBIFRMUHSXVJMY-JSGCOSHPSA-N 391.497 0.932 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CO)CCSC)C2=O)cc1 95971208 FFNSTDXTYPDIBG-ACJLOTCBSA-N 395.481 0.692 0 40 GCAB O=C(Cn1cnc2ccccc21)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124266 PGAZQNVYILMNTG-UHFFFAOYSA-N 389.423 0.756 0 40 GCAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCC(C(N)=O)CC1 223050232 RYAFKQUTVJMOHM-UHFFFAOYSA-N 383.470 0.348 0 40 GCAB COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5C=C34)[C@@H]2C1=O 245228793 FPRPJYTYDKSJPK-MYDGEQEJSA-N 378.431 0.718 0 40 GCAB C[C@@H](C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)n1cnc2c(N)ncnc21 613672845 GDPFTLOOEDPYOL-NSHDSACASA-N 381.444 0.919 0 40 GCAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 656732909 YMLQGVSOPVHYCN-DGCLKSJQSA-N 378.472 0.388 0 40 GCAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3C=CS(=O)(=O)C3)CCOCC2)o1 1547138839 HFCXMTVJKJPWSX-LBPRGKRZSA-N 383.422 0.519 0 40 GCAB biogenic CCOC(=O)Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)cn23)n(C)c1=O 4314238 MUWWIBSOZOVVNQ-LBPRGKRZSA-N 389.412 0.200 0 40 GCAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 5706979 FHIFMGIEEFWNFK-BLLLJJGKSA-N 379.413 0.645 0 40 GCAB O=C(COC(=O)/C=C/c1ccc(Br)o1)N[C@H]1CCS(=O)(=O)C1 6066110 ODNMDMIGUHBPMM-LXOKAJLYSA-N 392.227 0.902 0 40 GCAB O=C(CSc1ncnc2sccc12)NC(=O)N[C@H]1CCS(=O)(=O)C1 9712071 LZMPEEQZUVWCJO-QMMMGPOBSA-N 386.480 0.796 0 40 GCAB CCN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 13527907 HEUXNBUENLULMX-LBPRGKRZSA-N 392.433 0.721 0 40 GCAB O=C(O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccco1 13533910 ZDLZKMDMBBMJLI-QWGSZXSUSA-N 399.403 0.337 0 40 GCAB COC(=O)CCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 13817495 MEKUYPLAGHFHON-UHFFFAOYSA-N 385.380 0.662 0 40 GCAB C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(Br)c3)CN2C1=O 14743379 FPTJCQVOTVVPHW-ZBPZKIAKSA-N 396.241 0.028 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2nn(-c3ccccc3)nc2C)NC(=O)NC1 18325468 VNZNLLAZATXPNS-UHFFFAOYSA-N 385.380 0.863 0 40 GCAB O=C(c1ccc(-n2cccn2)nc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 19716591 YCERRDFATHVQPN-UHFFFAOYSA-N 390.469 0.366 0 40 GCAB O=C1NC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cccs2)CC1 25765211 DXVHRCDHUIZKGG-UHFFFAOYSA-N 398.510 0.877 0 40 GCAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 72405550 HCFBIJSVCFXLRO-DEYYWGMASA-N 397.497 0.306 0 40 GCAB CC(C)NC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96146000 SCACCNLXBHNIOY-VYDXJSESSA-N 380.470 0.557 0 40 GCAB CCN1CCN(c2ncc(-c3cc(=O)n4nc(COC)nc4[nH]3)c(C)n2)CC1 101450481 YCFPEFCJSBWHIF-UHFFFAOYSA-N 384.444 0.471 0 40 GCAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 102329463 NQCSGJKNBZCZRS-ONIAQPFYSA-N 386.404 0.714 0 40 GCAB COCCNC(=O)[C@@H]1CN(C(=O)COC)C[C@H]1c1ccnc(N2CCCC2)n1 257264815 LWCASSJKIBJXKO-HUUCEWRRSA-N 391.472 0.028 0 40 GCAB COc1cccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)c1 306126327 DSSLZWLHMYVCGY-OAQYLSRUSA-N 398.463 0.999 0 40 GCAB CCn1nncc1C(=O)N1CCC(O)(CNc2ncnc3c2ncn3CC)CC1 1615610997 IAPNEHGSDGVDHY-UHFFFAOYSA-N 399.459 0.537 0 40 GCAB Cc1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(N2CCOCC2)n1 1889211559 BEQJPINGFQQDSD-UHFFFAOYSA-N 381.444 0.615 0 40 GCAB COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 12874582 QEOXJWICAZSPAG-AVGNSLFASA-N 384.454 0.776 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 13004712 VPFPGCPVTWLFBU-MFKMUULPSA-N 377.372 0.519 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1 13042275 RHZCCJXLBHVZJS-CQSZACIVSA-N 396.513 0.853 0 40 GCAB CN1C(=O)N(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)C1(C)C 13063368 PEFWNAXGLNIQHL-UHFFFAOYSA-N 398.460 0.762 0 40 GCAB COCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699792 MOTRWOWFDOIRNF-OAHLLOKOSA-N 380.489 0.666 0 40 GCAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 20800149 QTEADDJOEWOOJO-ZDUSSCGKSA-N 383.408 0.979 0 40 GCAB O=CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 22520141 KVSKWJSETFKHCO-UHFFFAOYSA-N 379.482 0.917 0 40 GCAB O=C(O[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1CO)c1ccccc1 43199459 FWPNCAYVELBDRB-VBRUWADQSA-N 390.388 0.222 0 40 GCAB Cc1ccc2[nH]c(C)c(CC(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 53013447 XFEJTMRDIDPDCM-CYBMUJFWSA-N 377.466 0.747 0 40 GCAB O=C(Cn1nc2c(N3CCCC3)nccn2c1=O)Nc1ccc2c(c1)OCO2 71328197 TUZSQWQDESZJQZ-UHFFFAOYSA-N 382.380 0.859 0 40 GCAB CN(C)Cc1nnc(C2CCN(C(=O)Cc3cnc[nH]c3=O)CC2)n1C1CC1 96166946 ZJMCHYHUHMYJNH-UHFFFAOYSA-N 385.472 0.707 0 40 GCAB COc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102319310 HYYQJTCOMOYECN-HZPDHXFCSA-N 386.404 0.806 0 40 GCAB COC(=O)CS(=O)(=O)N1C[C@H](Oc2ccccc2F)C[C@H]1C(=O)OC 225354255 DHPNWOLNHVEZGD-PWSUYJOCSA-N 375.374 0.323 0 40 GCAB Cc1cc(C)n2nc(C(=O)N3CC[C@@H](Oc4ccc(N(C)C)nn4)C3)nc2n1 225448844 XQJYUJRFUNXASE-CYBMUJFWSA-N 382.428 0.891 0 40 GCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@](O)(CN2CCCC2)CC1 257340245 ZFEBDMOKBLAWTR-LJQANCHMSA-N 392.500 0.690 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccc3c(c2)CCO3)nc(N2CCCC2)n1 575608678 XMILQQKKGSENIP-UHFFFAOYSA-N 391.453 0.894 0 40 GCAB O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)c3cccc4c3OCCCO4)C2)N1 651679137 PXASKPFSXIJGDT-MRXNPFEDSA-N 381.410 0.211 0 40 GCAB CN1C[C@@H](O)CNS(=O)(=O)c2ccccc2O[C@H]2CN(C3CCCC3)C[C@H]21 1534613301 RPVJHQBFDZYCJK-JZXOWHBKSA-N 395.525 0.645 0 40 GCAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)N5CCOCC5)C[C@H]4C3)n1)CCC2 1888900787 CPNMVTMELILHPY-HUUCEWRRSA-N 393.513 0.219 0 40 GCAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1 3456821 OZSAETMVUPPNPB-UHFFFAOYSA-N 384.435 0.553 0 40 GCAB CN1CCN(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 4479740 MKCZRVREGCOXPY-CYBMUJFWSA-N 375.429 0.025 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 6497444 BVAYQWWEONYFQD-UHFFFAOYSA-N 399.469 0.616 0 40 GCAB C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)c(F)c1 12575480 ZSRGPYJWXLYRDA-VIFPVBQESA-N 377.351 0.589 0 40 GCAB CN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 13525984 MPDQUPOHWSLZHY-NSHDSACASA-N 378.406 0.330 0 40 GCAB COc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 16044072 HYYQJTCOMOYECN-HOTGVXAUSA-N 386.404 0.806 0 40 GCAB CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 20769101 LUELNLKJPPXQAY-UHFFFAOYSA-N 377.422 0.988 0 40 GCAB C[C@@H]1CN(C(C)(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H](C)O1 21064096 LCPGFAXRPSZIOA-CHWSQXEVSA-N 376.461 0.134 0 40 GCAB O=c1[nH]c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2cc(Cl)ccc12 23479599 CKYWMDTYMCXQJL-ZDUSSCGKSA-N 396.900 0.881 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Br)c1)c(=O)n2C 49890191 JIGHRNAPXKQXAP-UHFFFAOYSA-N 392.213 0.835 0 40 GCAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCn2c(nnc2C(F)(F)F)C1 79484140 REZZOLOMZSFXJT-UHFFFAOYSA-N 385.346 0.958 0 40 GCAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 95475764 LOCCVQZFPLNAFB-KBPBESRZSA-N 379.438 0.047 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 97512945 WJZXJNMNHBSATF-UHFFFAOYSA-N 397.208 0.559 0 40 GCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100928542 ORPWLMJRWWIUFM-TZHPCZLDSA-N 389.433 0.468 0 40 GCAB OCCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ncccn3)C2)cc1 257328938 XHSAVVVOTAGACG-FQEVSTJZSA-N 388.468 0.595 0 40 GCAB CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CO)CC[C@H]32)CC1 585138435 PHZSIVAPAIIQQA-ZIAGYGMSSA-N 382.461 0.373 0 40 GCAB Cn1c(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc2c1c(O)nc(=O)n2C 677511818 XQPKLGTVQTXDSS-BXKDBHETSA-N 377.351 0.963 0 40 GCAB COc1cc2ncnc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)c2cc1OC 1889151963 CDZSOVHNCLBTIU-QGZVFWFLSA-N 388.424 0.711 0 40 GCAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)CCS(C)(=O)=O)CC1 2055751124 KLGARNUTIQHKTH-UHFFFAOYSA-N 381.498 0.983 0 40 GCAB COCCCN1CCO[C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]21 2056224004 MWCFUFCSUQEUAW-WMZOPIPTSA-N 382.482 0.732 0 40 GCAB CCC(CC)NC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 3380707 PFQPXBWAAPBBIK-LLVKDONJSA-N 381.454 0.962 0 40 GCAB Nc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 4769186 HEWUQFYYFBVBKP-MZXFEWSRSA-N 389.437 0.312 0 40 GCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 6989098 HMZIKZRSDCPRRQ-LBPRGKRZSA-N 398.462 0.009 0 40 GCAB COCCNC(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 14129275 WWNKICCHVWQRNR-KQPPXVQYSA-N 398.481 0.907 0 40 GCAB Cc1cc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c2c(=O)[nH]c(=O)n(C)c2n1 19716362 REPLMIBJOHEXAJ-SNVBAGLBSA-N 384.440 0.642 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 20768949 PRDPRHQBCWIHSZ-UHFFFAOYSA-N 389.477 0.912 0 40 GCAB CCn1c(=O)c(C(=O)CSCC(=O)OC)c(N)n(Cc2ccccc2)c1=O 22038488 MZAJUNBZMREPES-UHFFFAOYSA-N 391.449 0.749 0 40 GCAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 22385001 ASVVZUGOWXHGFK-GJZGRUSLSA-N 397.497 0.755 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cnc21 23054701 DVCYNPYELOWRGM-UHFFFAOYSA-N 394.391 0.418 0 40 GCAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1nc(N)nc(N(C)C)n1 24979257 BOJJALYMLPHZJE-HNNXBMFYSA-N 397.439 0.792 0 40 GCAB O=C(NC1CC1)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 56004089 CMTKWVRYWRRWCB-UHFFFAOYSA-N 379.482 0.872 0 40 GCAB Cc1nnc2ccc(N3CCN(S(=O)(=O)N4CCC[C@H](C)C4)CC3)nn12 95454383 KCVHQLNVJBZRNO-ZDUSSCGKSA-N 379.490 0.531 0 40 GCAB CC(C)CS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(N(C)C)c2CC1 96083916 CYRWOITYALAEHY-UHFFFAOYSA-N 397.545 0.766 0 40 GCAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)NCCCN2CCOCC2)C1 100789111 BSJLKYPFMHHRIC-HOTGVXAUSA-N 376.526 0.864 0 40 GCAB biogenic CNC(=O)CN1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 108691590 SSZFMRFDWHKIHO-KRWDZBQOSA-N 386.496 0.865 0 40 GCAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCC4)C3)C2=O)cc1 225383685 WSSLYTYEZXNGOR-AEFFLSMTSA-N 385.464 0.606 0 40 GCAB biogenic,in-vitro Cn1c(=O)oc2ccc(S(=O)(=O)NCc3cn(-c4cccnc4)nn3)cc21 575619568 WDLAQJDUHUCCQH-UHFFFAOYSA-N 386.393 0.586 0 40 GCAB CNS(=O)(=O)N1CCN(C(=O)C[C@H](c2ccccc2)c2ncc[nH]2)CC1 578317264 OCNKMDUWCMQUAS-OAHLLOKOSA-N 377.470 0.540 0 40 GCAB O=C(NCc1ccco1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1 4328836 CNFOAGDINNTNJT-HNNXBMFYSA-N 393.421 0.059 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 4338721 CFUXLAOVUHOFBT-GFCCVEGCSA-N 389.499 0.374 0 40 GCAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 4861054 LLVYFMTYXDPIPT-ZDUSSCGKSA-N 378.458 0.588 0 40 GCAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 8657261 RKDFGIIVKIYMAJ-LLVKDONJSA-N 398.423 0.178 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NC3CC3)CC2)cc1 13693315 BKAQWYJXGJYOSN-UHFFFAOYSA-N 395.481 0.491 0 40 GCAB CCN1c2nc3c(C)cccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C)C2=O)[C@H]1C 16973432 HVYYKFZGMDEBOL-WYRIXSBYSA-N 383.408 0.468 0 40 GCAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)C(C)(C)N)C[C@]12Cc1ccccc1C(=O)N2 19082907 DKIJDTBNPNJOLJ-YCRPNKLZSA-N 386.496 0.822 0 40 GCAB COCCCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19593304 JAWZNGDQWGOQCY-FQEVSTJZSA-N 389.452 0.713 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548514 XWNOOIIVMBMZTL-ZCQATVAHSA-N 384.436 0.471 0 40 GCAB Cn1c(=O)c2cc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cnc2n(C)c1=O 24928407 AKSUUNKFBPOXBC-UHFFFAOYSA-N 393.403 0.777 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC1 34867968 KNKODPTYOGPJMV-UHFFFAOYSA-N 399.447 0.935 0 40 GCAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40057696 JVNKWYVRGJZKLP-UHFFFAOYSA-N 383.518 0.916 0 40 GCAB COc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1C(=O)O 47948976 PHUJFPZMUNOXCG-UHFFFAOYSA-N 386.407 0.842 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 58357148 YQYCKOSSJLMMKI-HNNXBMFYSA-N 396.513 0.254 0 40 GCAB CC(C)Oc1ccc(C(=O)Nc2ccc(-n3nnn(CC(N)=O)c3=O)cc2)cc1 77100163 VIKPOAYKIZORJN-UHFFFAOYSA-N 396.407 0.954 0 40 GCAB COC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 96012744 HRRIWITXJWSVJE-OAHLLOKOSA-N 383.422 0.816 0 40 GCAB COc1ccc(S(=O)(=O)N2C[C@@H]3OCCN(c4ncc(F)cn4)[C@@H]3C2)cc1 96248855 XHIPSUPCCMPYIP-CVEARBPZSA-N 394.428 0.903 0 40 GCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 100171968 WJVSUUOYTGGIPB-AXHMDWHKSA-N 385.372 0.948 0 40 GCAB CCn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 102251644 QWWCLSHJQWSNQJ-RVMXOQNASA-N 380.401 0.096 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 105352613 IXUGXRFAPZBLMB-CFGYMJCHSA-N 375.400 0.725 0 40 GCAB CCOc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCOCC2)c1=O 222672352 HOUMDLZUWSZHGW-UHFFFAOYSA-N 375.381 0.455 0 40 GCAB CN(C)S(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306132218 LCBIMAAHMQZLOH-CHWSQXEVSA-N 390.469 0.441 0 40 GCAB NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 583650547 HJTMOFGRKOYBJT-SNVBAGLBSA-N 393.215 0.022 0 40 GCAB Cn1cc(N2C[C@H](C(=O)NC[C@@H]3CCCO[C@H]3c3ccnn3C)CC2=O)cn1 628116962 MLZJISYWLUSDML-PMUMKWKESA-N 386.456 0.791 0 40 GCAB Cn1cnc([C@@H]2CN(Cc3cn(C4CCC4)nn3)C[C@H]2C(=O)N2CCOCC2)c1 1614995906 OTBXTHIVWLGXOW-QZTJIDSGSA-N 399.499 0.811 0 40 GCAB CN(C(=O)c1nc[nH]n1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775970685 HOLITJMJGCKWMC-UHFFFAOYSA-N 376.384 0.265 0 40 GCAB O=C1CO[C@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2N1CCc1ccccc1 1848353360 MOWGZIZENYIZQB-ROUUACIJSA-N 387.461 0.925 0 40 GCAB COC(=O)CN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(F)ccc21 4475698 JQYWAPPRPSVSKQ-MRXNPFEDSA-N 394.384 0.501 0 40 GCAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 5060405 VCRBBIURGUHWFU-CYBMUJFWSA-N 397.497 0.865 0 40 GCAB C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(N)=O 6435363 QNFCWQOFYJSCTM-SSDOTTSWSA-N 379.232 0.730 0 40 GCAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1N 9704689 RUHIVKYULNZRQB-UHFFFAOYSA-N 375.439 0.945 0 40 GCAB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(C(N)=O)cc1 12820259 ISPOPWWYBQRUBL-GWCFXTLKSA-N 383.426 0.080 0 40 GCAB CN(CC(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccc(C(N)=O)cc1 13239858 WJPJRWDCZGQUFD-UHFFFAOYSA-N 391.405 0.743 0 40 GCAB C[C@@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 13540073 ZSROCPYNAWHFET-SNVBAGLBSA-N 386.387 0.309 0 40 GCAB COC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 13649158 NYGCNRNCIOFOTO-UHFFFAOYSA-N 398.437 0.593 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(-n3cccn3)cc1)c(=O)n2C 24571255 GQBZCFFIGRFSBT-UHFFFAOYSA-N 379.380 0.258 0 40 GCAB COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCC(C)CC2)cc1 30879763 DDVXPLSYVBDMJH-YDZRNGNQSA-N 378.469 0.646 0 40 GCAB biogenic,in-vitro CCOC(=O)CN(CCOC)CC(=O)NCCc1ccc(OC)c(OC)c1 58055410 MMWDZNGGMYYKTA-UHFFFAOYSA-N 382.457 0.874 0 40 GCAB O=C(CN1CCOCC1)N1CCC[C@@H]1[C@H]1Nc2ccccc2S(=O)(=O)N1 72342523 UFADXCULZNGENR-PBHICJAKSA-N 380.470 0.040 0 40 GCAB CNC(=O)[C@@]12CCC3(CCN(C(=O)C(C)C)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143724 PIJNIWQCXYCSQL-KBXCAEBGSA-N 385.530 0.669 0 40 GCAB COc1cccc(NC(=O)N2CC(S(=O)(=O)c3nncn3C)C2)c1OC 245020834 MJOPYZYVIZFNFY-UHFFFAOYSA-N 381.414 0.522 0 40 GCAB CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3cccnc3O)CC2)CC1 257217659 CZZFQLRXJOUZBI-IBGZPJMESA-N 376.457 0.309 0 40 GCAB CC(=O)Nc1ccc(CN2CCOC[C@]3(Cc4c(N)nc(N)nc4O3)C2)cc1 257286669 PMMAJUGXYYYYEH-IBGZPJMESA-N 384.440 0.806 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)CCn3ccnc3)CC2)CC1 257328311 XFCGKRLBNLUELK-FQEVSTJZSA-N 391.516 0.617 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1 584737503 NESULBBVMBLEIN-AWEZNQCLSA-N 393.469 0.583 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3cnn4ccccc34)CC[C@H]21 1565556316 RKGFNSBYAQIKDT-HZPDHXFCSA-N 378.454 0.599 0 40 GCAB CN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1nnc2n1CCOCC2 1615555004 ZUIYYVTUCILCHP-UHFFFAOYSA-N 379.486 0.733 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1513929 RRWBVBQNSYCRIU-UHFFFAOYSA-N 383.451 0.837 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCC(C)C)cc1 4337463 SIYGPMBUIQPXMW-OAHLLOKOSA-N 383.470 0.230 0 40 GCAB Cn1c(CSc2nnc(COc3ccccc3F)n2N)cc(=O)n(C)c1=O 11385719 MQZLQSCSJKPZGR-UHFFFAOYSA-N 392.416 0.400 0 40 GCAB C[C@@H](SCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 12922561 VPYDSMJPIMDBEO-VXGBXAGGSA-N 396.490 0.708 0 40 GCAB COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@@H](C)O 14113922 RQVWBADQFBHKTB-DOMZBBRYSA-N 384.454 0.432 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=S)N[C@H](Cc2ccccc2)C(=O)O)cc1 16478791 NLQYLYXIENBPLK-OAHLLOKOSA-N 393.490 0.994 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 29890050 FYEGFIMUJUPGAE-HNNXBMFYSA-N 379.505 0.731 0 40 GCAB Cn1nnnc1SCC(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 42379527 QRGBWCUPUSYVLA-UHFFFAOYSA-N 389.416 0.481 0 40 GCAB CCc1ccc(N2C[C@H](C(=O)NCCN3CCCS3(=O)=O)CC2=O)cc1 61598667 UHZRBMJPANKTQG-OAHLLOKOSA-N 379.482 0.754 0 40 GCAB Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C(=O)c2ccno2)C1 96244571 YKANEMRBYLJVQE-IBGZPJMESA-N 385.424 0.924 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccccc1O[C@@H]1CCOC1 626437165 VFAQWVPKSOTETI-ZIAGYGMSSA-N 399.469 0.636 0 40 GCAB Cn1cnc([C@@H]2CN(S(=O)(=O)CC3CCC3)C[C@H]2C(=O)N2CCOCC2)c1 1614995915 PKVJVRPFULXMAW-HZPDHXFCSA-N 396.513 0.424 0 40 GCAB CC(=O)Nc1ccc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cc1 1889139525 QOBJXGVUBPDYPK-UHFFFAOYSA-N 399.451 0.441 0 40 GCAB COc1cccc(NC2(C(=O)N(C)C)CCN(S(=O)(=O)N(C)C)CC2)c1 2055750555 CEFWILPTMAXUMQ-UHFFFAOYSA-N 384.502 0.836 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 3617899 TWWGJLNIHJJCFA-UHFFFAOYSA-N 381.348 0.911 0 40 GCAB CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)O 5274106 ZNGPROMGGGFOAA-OAGGEKHMSA-N 379.457 0.628 0 40 GCAB CN(C(=O)CSc1nnc(-c2ccncc2)n1C)[C@H]1CCS(=O)(=O)C1 6138803 XGFBRLQIJVUFPK-LBPRGKRZSA-N 381.483 0.615 0 40 GCAB O=C(COC(=O)c1cccc(Br)c1)N[C@H]1CCS(=O)(=O)C1 6377390 VQJFNQDPCUTXIO-NSHDSACASA-N 376.228 0.909 0 40 GCAB CN(C)C(=O)CN1C(=S)N(c2ccc(F)cc2F)[C@@H]2CS(=O)(=O)C[C@@H]21 8993472 ORBAPJAJRKTUMZ-QWHCGFSZSA-N 389.449 0.626 0 40 GCAB CCCCn1c(N)c(N(CC)C(=O)c2nc3nccc(C)n3n2)c(=O)[nH]c1=O 9985823 DDFFZGSEGZAEHJ-UHFFFAOYSA-N 386.416 0.332 0 40 GCAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc21 11545029 MWXXMZUWUUWWLH-UHFFFAOYSA-N 387.465 0.761 0 40 GCAB CC(=O)N1CCc2cc(C(=O)[C@H](C)n3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 12507122 KRHUKYDJUZCPIV-NSHDSACASA-N 395.419 0.787 0 40 GCAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 13269891 QXTWJCNYPXTFRN-SNVBAGLBSA-N 377.216 0.786 0 40 GCAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 20032244 KLCAFBPEDISHEG-UHFFFAOYSA-N 389.499 0.012 0 40 GCAB CN(C)S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(F)cc1 20245243 YFPGTAWYUDXZIM-UHFFFAOYSA-N 386.449 0.162 0 40 GCAB COc1ccc(N2C[C@@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1OC 22808123 FLWARYLOUOXIBZ-AWEZNQCLSA-N 392.456 0.441 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 24768600 WDQQKBURQQWBLZ-UHFFFAOYSA-N 391.453 0.410 0 40 GCAB CCOC(=O)c1c(C)oc2ncn(CCn3nc4ccccn4c3=O)c(=O)c12 30571672 VPCAFHAXGMTQJZ-UHFFFAOYSA-N 383.364 0.984 0 40 GCAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCN(c2ccccc2F)CC1 57936501 YHZFYGLVDFYOTI-UHFFFAOYSA-N 390.415 0.575 0 40 GCAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)Nc2cnn(CCO)c2)cc1 69256984 YEERIXHQCBHSSM-UHFFFAOYSA-N 388.428 0.790 0 40 GCAB O=C(N[C@H](Cc1ccccc1)C(=O)O)C1=CN2CCS(=O)(=O)N=C2C=C1 95947182 UYSKPAPQCHXYKY-CQSZACIVSA-N 375.406 0.296 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)CC1(CCN(CCOC)CC1)C(=O)N2C 96262352 CCMCKHBRENBSIN-UHFFFAOYSA-N 387.546 0.761 0 40 GCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCC(=O)Nc1ccc(F)c(F)c1 102649579 UQYKQSSMODHCHX-TXEJJXNPSA-N 377.347 0.971 0 40 GCAB Cc1ccccc1-n1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1C 643431239 DBQHHZBGFAOKPQ-OAHLLOKOSA-N 377.422 0.813 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@H]4C3)ncnc21 1888913834 QKOSRZCHDKCRDF-GASCZTMLSA-N 396.455 0.415 0 40 GCAB CCc1ccc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4303902 BHIPXJFOLUADIB-UHFFFAOYSA-N 380.408 0.495 0 40 GCAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OCC)cc2)n1N 5111242 ROODXSURKGSZCO-UHFFFAOYSA-N 379.442 0.829 0 40 GCAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 6158676 YJVYQMGNLVYARM-BMANGOCTSA-N 394.449 0.352 0 40 GCAB O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7541049 FUUMCVSHZASIDL-OQLLNIDSSA-N 387.461 0.993 0 40 GCAB CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8254395 PVVIUQWTKSXPIV-BBWFWOEESA-N 397.483 0.303 0 40 GCAB biogenic,in-vitro O=C(Nc1c[nH]c(=O)[nH]c1=O)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 12324507 NQXFIKOQQPTARB-UHFFFAOYSA-N 377.788 0.004 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)Cc1ccccc1N1CCOCC1 12517591 NVYPHMJSJALLHW-UHFFFAOYSA-N 386.452 0.799 0 40 GCAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCCN1CCCC1=O 13684041 UDSQJVGLTXVKLO-UHFFFAOYSA-N 384.436 0.850 0 40 GCAB C[C@@]1(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CCS(=O)(=O)C1 13736373 ZVTAGKUBQJJMHY-GOSISDBHSA-N 391.449 0.415 0 40 GCAB Cc1nc(O)c(C(c2ccc3c(c2)OCO3)c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1 16363269 UQAZMVJXHITMKS-UHFFFAOYSA-N 384.348 0.790 0 40 GCAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F 18190312 CSFFTSRVLXCIIG-GHMZBOCLSA-N 390.314 0.409 0 40 GCAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(C)CC1 19973064 TVJWFNFERDJQNS-GOSISDBHSA-N 397.483 0.806 0 40 GCAB NC(=O)CCN1CCN([C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)O)CC1 22823002 LKLZUQGTVVWFBW-CQSZACIVSA-N 382.848 0.615 0 40 GCAB COC(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 23636944 UJRRJWWHUBHFEP-UHFFFAOYSA-N 378.406 0.816 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccc(O)cc1 32073898 QZHBVZVBSRRSNF-MRXNPFEDSA-N 389.433 0.910 0 40 GCAB Cc1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1N1CCCC1=O 70639046 YZUGSEBOEXAZFZ-UHFFFAOYSA-N 375.425 0.718 0 40 GCAB Cc1ccc2c(c1)CN(C(=O)CN1C(=O)CNC1=O)CC1(CCN(C)CC1)O2 72394152 ZNHJFMLGPGBVLQ-UHFFFAOYSA-N 386.452 0.732 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccc(O)cc2)C(=O)O)CC1 72403119 FQWDECSVJDBGGL-AWEZNQCLSA-N 392.456 0.127 0 40 GCAB COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)CN(C)C(=O)C1 96113286 HPBMAESUNBLLJX-GDBMZVCRSA-N 376.457 0.591 0 40 GCAB biogenic,in-vitro CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn23)C1 96267622 HVDOTEVMRHPPAR-GDBMZVCRSA-N 399.499 0.976 0 40 GCAB CN(C)C(=O)CNC[C@H]1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 100707156 BHJJJWAPLBUHLK-OKILXGFUSA-N 387.484 0.584 0 40 GCAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCCCN2CCOCC2)C1 208217379 BSJLKYPFMHHRIC-JKSUJKDBSA-N 376.526 0.864 0 40 GCAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1 222757353 IAIXBPKCJGBVPK-UHFFFAOYSA-N 391.449 0.982 0 40 GCAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3ccc(CCN)cc3)[C@H]2O)CC1 257274403 NKYXLCVILJYEIZ-VAMGGRTRSA-N 388.512 0.316 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CN2CCOCC2)CCO1 585285489 YYOIDNRLQSJDDQ-IBGZPJMESA-N 395.431 0.010 0 40 GCAB COCCN1C(=O)C[C@H](CNC(=O)c2cnn(C3CC3)c2)[C@H]1c1cnn(C)c1 628029868 DGGFAIAOVHAOQW-ACJLOTCBSA-N 386.456 0.918 0 40 GCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)COc5cccnn5)C[C@@H]4C3)nn12 1888897408 KZZLUBXJSOKKBA-KBPBESRZSA-N 380.412 0.196 0 40 GCAB CN(C)c1ccnc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 2086889431 XKIIOZLSXQOYFG-UHFFFAOYSA-N 380.452 0.961 0 40 GCAB O=C(Cc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242945 IMHMPNLNUQSCIH-KRWDZBQOSA-N 378.494 0.720 0 40 GCAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363952 SQXRRWYTLGTING-GFCCVEGCSA-N 376.442 0.342 0 40 GCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)ccc12 2105747 SWQOMUYOMRJXQY-ZDUSSCGKSA-N 391.380 0.498 0 40 GCAB biogenic Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(c2cnccn2)CC1 11545327 VPWZWFWKFIZZOR-UHFFFAOYSA-N 394.457 0.099 0 40 GCAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ncnc3c2cnn3C)CC1 23631235 RSNBNVAKJGPURJ-KFWWJZLASA-N 387.488 0.510 0 40 GCAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CCn2cncn2)CC1 32809425 FDIFCZGBMQJPHH-UHFFFAOYSA-N 384.506 0.322 0 40 GCAB Cc1ccccc1-c1nnn(CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)n1 40020126 HRKDFJZWJJJBLH-INIZCTEOSA-N 378.392 0.928 0 40 GCAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 44903940 NXIACIPXKPYCCN-UHFFFAOYSA-N 399.451 0.428 0 40 GCAB CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1 79108633 ANMLMFXWEZAIHA-IRXDYDNUSA-N 383.514 0.674 0 40 GCAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)cc1OC 96221452 XEODYLQHAOBHIR-ZDUSSCGKSA-N 377.397 0.373 0 40 GCAB biogenic CCS(=O)(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C 96262251 SNQWWHNUIPGVSH-UONOGXRCSA-N 379.486 0.185 0 40 GCAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)N3CCOCC3)CCN21 253399772 JXIKPIWZQGJEJG-CTNGQTDRSA-N 388.512 0.692 0 40 GCAB biogenic,in-vitro CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccncn3)CC2)CC1 257234783 GVCBZMKTLUMHHJ-LJQANCHMSA-N 375.473 0.434 0 40 GCAB Cn1cc(C(=O)N2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)c(C(F)F)n1 585107721 XMDPVDYIKZJAPP-CABCVRRESA-N 383.443 0.979 0 40 GCAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ncnc3[nH]cnc23)CC1 585500438 IDLONXXQBRZQLS-UHFFFAOYSA-N 378.400 0.407 0 40 GCAB CCN=c1cc(C)nc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)[nH]1 2086884377 IIJCESLVPPWUMZ-UHFFFAOYSA-N 376.486 0.764 0 40 GCAB O=C(Nc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243190 QEAYNHKOBDTSSR-AWEZNQCLSA-N 377.426 0.378 0 40 GCAB CNC(=S)N1CCC(NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(C)=O)CC1 1325385 SHYUFOHTKFNBSJ-QGZVFWFLSA-N 392.525 0.827 0 40 GCAB CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 1840310 VEMPXYFXAWMKDL-HNNXBMFYSA-N 382.298 0.431 0 40 GCAB Cn1c(=O)c2c(nc(N3CCNCC3)n2CCCOc2ccccc2)n(C)c1=O 4317977 BGNKFGZCPGIRGV-UHFFFAOYSA-N 398.467 0.312 0 40 GCAB N=C1Cc2ncnn2C(N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)=NN1 4398703 FHYVIJLZNSJXIS-AWEZNQCLSA-N 378.318 0.881 0 40 GCAB COc1ccc(-c2noc(CNC(=O)Cc3nc4[nH]c(C)cc(=O)n4n3)n2)cc1 9340503 RZOWLPAARZXDMM-UHFFFAOYSA-N 395.379 0.644 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 10374219 FCJCISPMOFNMMA-UHFFFAOYSA-N 393.469 0.268 0 40 GCAB NC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 19042547 WPPCAMNRWFIOOO-UHFFFAOYSA-N 397.840 0.782 0 40 GCAB C[C@H](c1cc(=O)[nH]c(NCCN2CCOCC2)n1)n1ncc2ccccc2c1=O 19717938 XBOMODJTGNSHIN-CQSZACIVSA-N 396.451 0.833 0 40 GCAB COC(=O)c1sccc1NC(=O)CN1CCCN(S(C)(=O)=O)CC1 24925507 JCFHIYWVZGBRCP-UHFFFAOYSA-N 375.472 0.441 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 40154431 RBSIWFIDRPGNCC-CYBMUJFWSA-N 382.486 0.652 0 40 GCAB Cc1cc(C)n(CCNC(=O)c2nc(COc3ccccc3C(N)=O)no2)n1 40283334 AENMJOFYGSWFHS-UHFFFAOYSA-N 384.396 0.991 0 40 GCAB COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCNC(=O)C2)c1 48264214 SQILTBPKNRRRAL-UHFFFAOYSA-N 377.216 0.356 0 40 GCAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)[C@@H]1CCCN(c2ncccn2)C1 79475293 NNSYEBMUTGFGNU-CQSZACIVSA-N 394.435 0.513 0 40 GCAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 89594097 ZFRUPYXCEKFPQG-AEFFLSMTSA-N 391.516 0.718 0 40 GCAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 96243651 BLGQHAUEIRSGCF-HNNXBMFYSA-N 384.440 0.728 0 40 GCAB CN1CCN(C(=O)c2ccc3nnc([C@H]4CCN(C(=O)N(C)C)C4)n3c2)CC1 96267621 UBATWIXIRSDAAI-AWEZNQCLSA-N 385.472 0.588 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1)c1cn[nH]c1 257336675 YPMYUYMMGFHXJS-BDXSIMOUSA-N 390.415 0.560 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccnc(C3CC3)c2)CCO1 263446730 REIQSAMVMPMRFV-CQSZACIVSA-N 397.453 0.146 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@@]1(CCN(Cc3nccs3)C1)CC2 306142290 WVMGTRLUOUZHKJ-IBGZPJMESA-N 396.476 0.852 0 40 GCAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1S(=O)(=O)c1cccnc1 585097038 FATVVPHDMMVBSO-CQSZACIVSA-N 387.465 0.985 0 40 GCAB CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1 585138511 XQFDKZXLWICYPX-DEOSSOPVSA-N 385.471 0.936 0 40 GCAB COc1cc(C2=c3cc4c(cc3=C(O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 1560405227 VJHXRZYCQFSVRZ-SGTLLEGYSA-N 398.367 0.806 0 40 GCAB Cn1nnnc1CN1CCC2(CC1)CN(C(=O)c1cc(F)ccc1F)CCO2 1615612466 YVXRCPWOVUNHPN-UHFFFAOYSA-N 392.410 0.996 0 40 GCAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1361843 JLNKMDVXAYFYLG-CYBMUJFWSA-N 392.485 0.978 0 40 GCAB COc1ccccc1-c1nnc(SCC(=O)N2CCN(C(C)=O)CC2)n1N 6905260 MIIFYZCFJPJKSE-UHFFFAOYSA-N 390.469 0.450 0 40 GCAB CN(CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 7153589 ZIATYMPYKAHXTP-UHFFFAOYSA-N 384.440 0.076 0 40 GCAB O=C(COC(=O)C1=COCCO1)Nc1cc2[nH]c(=O)[nH]c2cc1Br 7273386 IPWRWBACABFRPD-UHFFFAOYSA-N 398.169 0.989 0 40 GCAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9992890 KOBMMUBJRSAOBO-PXAZEXFGSA-N 395.437 0.225 0 40 GCAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 12795310 YSBXKKPVKYPGIV-UHFFFAOYSA-N 392.371 0.973 0 40 GCAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1=O 15842744 CFQNNPUGSOZSMI-NSHDSACASA-N 379.438 0.337 0 40 GCAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1nc(N)nc(N(C)C)n1 32848709 BOJJALYMLPHZJE-OAHLLOKOSA-N 397.439 0.792 0 40 GCAB O=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1n[nH]c2cc(Br)ccc12 79482937 MAXNJLOYCGMDOJ-UHFFFAOYSA-N 379.174 0.668 0 40 GCAB Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)CS2 90609598 UXDPXTBHMPBGCI-KGLIPLIRSA-N 392.481 0.123 0 40 GCAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCCN1C(=O)c2ccccc2C1=O 101503931 DZPNMEMSYIABDQ-GJZGRUSLSA-N 382.372 0.777 0 40 GCAB CNC(=O)c1cnn2c(C3CCN(C(=O)[C@H]4CCCN4C(C)=O)CC3)ccnc12 257275898 NRLHIPDDCJRDFS-QGZVFWFLSA-N 398.467 0.806 0 40 GCAB Cc1cccc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)n1 306133347 MJFFDINYFYMWKH-CABCVRRESA-N 381.436 0.778 0 40 GCAB COc1ncccc1CN1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306135264 OMBBUBWYYWGGGV-HOTGVXAUSA-N 383.452 0.838 0 40 GCAB O=C(CCn1ccc(O)nc1=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390830911 OGZBMERPOMXMNW-HNNXBMFYSA-N 391.449 0.727 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1 575619557 NBRAVFNIWXCMGN-UHFFFAOYSA-N 386.401 0.373 0 40 GCAB CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[C@H](C)CC4)C[C@@H](O3)[C@@H]2S1(=O)=O 2055738991 FZBBZKVRCVEHQV-TYENPDHQSA-N 399.557 0.614 0 40 GCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@H]2SC1 2784991 DKRCWUMYQNGXNB-QPUJVOFHSA-N 390.343 0.811 0 40 GCAB O=C(O)c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(C(=O)O)c12 3132297 DHTJFXAQCGLLFM-UHFFFAOYSA-N 376.320 0.730 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CCc1ccccc1 6049575 HJGIHUSHNWWRDR-INIZCTEOSA-N 391.468 0.556 0 40 GCAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)c1nc(N)nc(N(C)C)n1 12541844 AIUUEWJQORLUTG-VIFPVBQESA-N 380.430 0.809 0 40 GCAB O=C1C[C@@H]([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)Oc2ccc(F)cc21 13266603 NUVHCFQCGBGHIM-ZBEGNZNMSA-N 389.383 0.950 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCOCC1 38758517 BYXNOBAQMWEHHV-UHFFFAOYSA-N 383.470 0.104 0 40 GCAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 57520473 BVVOGSXEEMVQDA-NSHDSACASA-N 393.469 0.052 0 40 GCAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2nc(=O)o[nH]2)C(C)C)c1 89791075 PTHMPGUXAHBQRF-AWEZNQCLSA-N 378.385 0.451 0 40 GCAB CN1CCN(c2ncc3c(n2)[C@]2(CCN(C(=O)[C@H]4CCOC4)C2)COC3)CC1 248163813 YXZUSHGNRLWBJE-YWZLYKJASA-N 387.484 0.265 0 40 GCAB C[C@@]1(O)CCN(C(=O)c2cccc(OCCN)c2)C[C@H]1n1ccc(O)nc1=O 257226619 FLJLUCUTVXTPEP-DNVCBOLYSA-N 388.424 0.125 0 40 GCAB Cc1ncc2c(n1)[C@H]1CN(C(=O)[C@@H]3[C@@H]4C(=O)N(C)C[C@@]45C=C[C@H]3O5)C[C@H]1CC2 257308269 TWCRMDJSYGDGDN-WNISJOIBSA-N 380.448 0.685 0 40 GCAB C[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@]2(CCO[C@@H]2C)O1 560041035 HVYBALTWFQOMIW-GPMSIDNRSA-N 393.488 1.016 0 40 GCAB O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12)c1ccncc1 575404586 NVQYGPNHDHJDLQ-USXIJHARSA-N 388.449 0.542 0 40 GCAB CN1CCC(NC[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)CC1 585285737 SKAQIYPKXGJAII-PKOBYXMFSA-N 381.904 0.962 0 40 GCAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C 8011996 ZRPYMLCHPBOUKO-JTQLQIEISA-N 376.417 0.153 0 40 GCAB CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2[S@]1=O 8733250 AYTKEKBIWRHMGU-WFBCCXSOSA-N 375.038 0.635 0 40 GCAB biogenic Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(=O)n(C)c1=O 8766876 ZTKFQRNIHOZKDM-UHFFFAOYSA-N 383.374 0.820 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc3ccc(F)cc3s2)n(C)c1=O 12538517 DSFHTYQNOOHOHF-UHFFFAOYSA-N 388.384 0.821 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 13540076 JLVSVKAOKWSORE-UHFFFAOYSA-N 389.799 0.875 0 40 GCAB CN1CCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19589976 KVAOBPZEUFDYMH-KRWDZBQOSA-N 387.528 0.923 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1 24688776 PHWHCJWJMALOSG-UHFFFAOYSA-N 382.486 0.430 0 40 GCAB CC(C)OC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 40009442 ZXUUFGBJTOMLOD-UHFFFAOYSA-N 384.454 0.716 0 40 GCAB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 54253783 HRSRNJPCFYHNRW-AWEZNQCLSA-N 378.381 0.836 0 40 GCAB COc1ccccc1C1(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 58209573 BRTBXJCFMRBJGJ-UHFFFAOYSA-N 379.438 0.103 0 40 GCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN[C@H]1C=CS(=O)(=O)C1 72394843 ZOUYYQZMXGUSNQ-HOTGVXAUSA-N 379.482 0.238 0 40 GCAB Cn1c(-c2ccccn2)nn(CCNC(=O)c2cnn(-c3ccccc3)n2)c1=O 90590966 OOJGGIKWVWEFQH-UHFFFAOYSA-N 390.407 0.655 0 40 GCAB O=C1CO[C@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccc(F)cc1 96051325 SNVCFVGVJLOPKN-KRWDZBQOSA-N 384.429 0.752 0 40 GCAB O=C1CNC(=O)N1C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1 253405940 TZJFKKYALPZLDN-UHFFFAOYSA-N 381.454 0.802 0 40 GCAB CC(C)N1[C@H]2CN(Cc3cnn(C)c3)C[C@H]2N(C)c2ncccc2S1(=O)=O 306135377 OPJHQJLESGUQBX-CVEARBPZSA-N 390.513 0.917 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1C 408592335 LDNDVYFIACUJFD-HNNXBMFYSA-N 399.513 0.509 0 40 GCAB O=S1(=O)C[C@H]2N[C@H]3CS(=O)(=O)C[C@@H]3N(Cc3cccc(Cl)c3)[C@H]2C1 575423135 OKKXYBLYIOKFOT-XGUBFFRZSA-N 390.914 0.076 0 40 GCAB O=C1CCC(=O)N1CCOCCNS(=O)(=O)c1ccc(-n2cccn2)cc1 575619806 NLMKTCHLFVVYLZ-UHFFFAOYSA-N 392.437 0.316 0 40 GCAB COc1cc(NCCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)ncn1 1630693920 KIMNXNSASKMAQR-ZDUSSCGKSA-N 397.439 0.742 0 40 GCAB Cc1csc(C(=O)N2C[C@@H]3O[C@H](C2)[C@H]2CN(CCN(C)C)S(=O)(=O)[C@H]32)c1 2055739041 IZQAIBCNFTYRAP-NYTXWWLZSA-N 399.538 0.472 0 40 GCAB Cc1cccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1O 4922942 COOUJLQQPSTSDD-UHFFFAOYSA-N 389.408 0.839 0 40 GCAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 7813517 RYKKTRQHBSDHHP-INIZCTEOSA-N 395.481 0.400 0 40 GCAB CCCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CC(=O)OC)n(C)c1=O 10387026 QQRIAGQMSJKTJL-NSHDSACASA-N 376.417 0.627 0 40 GCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCC1=O 16707038 WKYNELACKQXEGM-UHFFFAOYSA-N 382.417 0.267 0 40 GCAB Cn1c(=O)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)[nH]c1=O 19714451 HPZZSLIDOZVLKF-OAHLLOKOSA-N 392.843 0.530 0 40 GCAB CCOC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 22220149 ARCGMOATVIGETD-ADLMAVQZSA-N 397.428 0.939 0 40 GCAB C[C@@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NC(=O)NC1CC1 22520661 FRFZSXCYGSOZPM-SNVBAGLBSA-N 375.381 0.870 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2ccccn2)o1 35597143 BZUZMVWYUXHJCS-UHFFFAOYSA-N 388.409 0.666 0 40 GCAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 48332578 PCDCNUXZYSECBC-HNNXBMFYSA-N 396.465 0.794 0 40 GCAB Cc1ccc(CNC(=O)Cn2nc3c(N4CCOCC4)nccn3c2=O)cc1 49400009 HIKSIOVOKZBZLP-UHFFFAOYSA-N 382.424 0.352 0 40 GCAB C[C@H](C(=O)N1CCN(C)CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326761 KELYHUNEGZIDFZ-VFNWGFHPSA-N 399.495 0.713 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c2cccnc12 95461699 SKABRXNATJTWRI-CYBMUJFWSA-N 398.510 0.737 0 40 GCAB Cc1cccc(CN2CCS(=O)(=O)[C@@H]3CCN(S(C)(=O)=O)CC[C@@H]32)n1 96251644 WIQCRWTWLVILBM-JKSUJKDBSA-N 387.527 0.413 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C 257264040 LSQANLXWHCBDHR-ZDUSSCGKSA-N 387.406 0.669 0 40 GCAB Cc1cccc(CN2CC[C@@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)n1 306129944 IRKQBPSVLJRZCF-HXUWFJFHSA-N 385.468 0.939 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1 408604148 LAZTXVISGJUBIQ-OAHLLOKOSA-N 399.513 0.591 0 40 GCAB O=S(=O)(N1CCOCC1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147121 KCYNGGZURKGUMZ-NSHDSACASA-N 393.263 0.269 0 40 GCAB O=C1CCCN1CC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840579 NUZBGQMUTZPAKZ-LJQANCHMSA-N 375.400 0.782 0 40 GCAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NC[C@@H]1CCCO1 4944003 GWJLLVBCFXHQQV-HNNXBMFYSA-N 398.481 0.690 0 40 GCAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cs1 6681673 NVZBFIGSWVNZPL-UHFFFAOYSA-N 375.472 0.961 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)NC(=O)N[C@@H]1C 6886636 ZHZZSPRGEDCAEZ-NVTQBHAOSA-N 397.453 0.502 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 7921977 GBKLVZCTBJPQKN-NSHDSACASA-N 390.483 0.709 0 40 GCAB COc1ccccc1C(=O)NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 8282994 YYGBZXQDBTVUDT-UHFFFAOYSA-N 383.364 0.863 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC1CCCC1 11906080 CDFNQFADYFSTJK-UHFFFAOYSA-N 388.467 0.983 0 40 GCAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCNC(=O)C3(C)C)c(=O)n12 12181921 DTXXYUTWZMSVIM-UHFFFAOYSA-N 396.451 0.905 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN=C1C 19796394 GKVXHGALYRSCLI-UHFFFAOYSA-N 387.439 0.184 0 40 GCAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(CC(=O)NC2CC2)CC1 23248693 GCKRRSSEOLJDLA-OAHLLOKOSA-N 399.495 0.647 0 40 GCAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC(=O)N(CC2CC2)C1 40073721 VGPCVUWCXUDZKF-CQSZACIVSA-N 376.457 0.616 0 40 GCAB O=C(CCNC(=O)c1ccoc1)NCCS(=O)(=O)N1CCc2ccccc21 41468563 ZMESAQHYQLRLJB-UHFFFAOYSA-N 391.449 0.908 0 40 GCAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c(F)c1 44894179 RTMIYEBLSHITCJ-LLVKDONJSA-N 395.412 0.361 0 40 GCAB Cc1cc(NC(=O)CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)no1 58401754 LKFXILFPUCNILO-AWEZNQCLSA-N 389.334 0.954 0 40 GCAB Cc1occc1C(=O)NC1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 66479904 GHPQGCSKABBZKB-UHFFFAOYSA-N 398.423 0.452 0 40 GCAB O=CN1CCN(C[C@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)O)CC1 72406048 LMKIRRBOBSLRAF-NSHDSACASA-N 388.346 0.904 0 40 GCAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCn1nc(-n2cccn2)ccc1=O 77196877 VLNDBGZPIQGGRP-FZKQIMNGSA-N 381.392 0.774 0 40 GCAB O=C(Cn1cnnn1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001395 KJGCAFRRXZXGHV-KRWDZBQOSA-N 383.456 0.009 0 40 GCAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124256 DNAVHYYHEPTISX-INIZCTEOSA-N 393.407 0.546 0 40 GCAB O=C1CN(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c2ccccc2N1 97569668 WAZIJJNKFGATOY-CHWSQXEVSA-N 397.387 0.466 0 40 GCAB CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 102251788 LNYYHMZZCUWPJN-IMIFBBOLSA-N 378.429 0.965 0 40 GCAB CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 506615181 XYAQBWONFSQLBJ-GDBMZVCRSA-N 381.502 0.621 0 40 GCAB CN(C)CCOC1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 575967714 OITGXVOCCQODHS-RTBURBONSA-N 393.528 0.997 0 40 GCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@@H]21 585109951 SFBXWXDKKRQDPT-YIZWMMSDSA-N 376.436 0.507 0 40 GCAB COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(OC)cc1 4785610 GXRRTZAPQHTMAC-UHFFFAOYSA-N 387.440 0.939 0 40 GCAB COCC(=O)NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1 4910316 VPSRGUXYZZVWDS-UHFFFAOYSA-N 388.428 0.177 0 40 GCAB Cn1c(=O)c2nc(N3CCOCC3)n(CC(=O)c3ccccc3)c2n(C)c1=O 6320582 RZSXGHBBFUDDCJ-UHFFFAOYSA-N 383.408 0.153 0 40 GCAB C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12219638 XTMNCZUZDKFPGW-RDJZCZTQSA-N 399.495 0.647 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C(N)=O 12927204 PTPGEYLYTRUMHI-UHFFFAOYSA-N 394.428 0.410 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c1 13006464 BAOBHIMYLGTMRB-CYBMUJFWSA-N 382.442 0.644 0 40 GCAB O=C(CCNc1ncccn1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13721866 AKJCBZSJROIXAB-KRWDZBQOSA-N 397.435 0.789 0 40 GCAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(CN2CCOCC2)cs1 22701367 LQUIJUXWRAHYGL-KBPBESRZSA-N 390.465 0.865 0 40 GCAB CS(=O)(=O)NC1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 24969292 XKOJITSXTKFLOW-UHFFFAOYSA-N 397.541 0.859 0 40 GCAB Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 31900975 KZWBJNAXDGOSTE-BETUJISGSA-N 386.518 0.525 0 40 GCAB C[C@@H](C(=O)N[C@H]1CCCNC1=O)N1C(=O)c2ccc(Br)cc2C1=O 50635173 JUBHJWSGEQKLRX-UFBFGSQYSA-N 394.225 0.828 0 40 GCAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(C(=O)NCCO)CC2)c1 58081830 OWBMXCZYXDBFFU-ZDUSSCGKSA-N 379.457 0.851 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNS(=O)(=O)c2c(F)cccc2F)c1=O 90591403 LQAFFNUSAUFIRK-UHFFFAOYSA-N 386.302 0.857 0 40 GCAB O=C(Cn1ccnn1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999162 JJGJCUQDNPBVBE-OAHLLOKOSA-N 375.454 0.662 0 40 GCAB Cc1cccc(Nc2ccc(N3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)nn2)n1 96817328 WCQLMIDREZADMH-CQSZACIVSA-N 381.440 0.851 0 40 GCAB COc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 224383360 HLUOXZJDSUNUNE-CQSZACIVSA-N 385.486 0.709 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C(=O)N1Cc1ccccc1 225382137 QVHKGRKUIKMYAV-MSOLQXFVSA-N 385.464 0.224 0 40 GCAB biogenic,in-vitro Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)C2)nn1 225432903 VPRVSQNNOPZWKW-AWEZNQCLSA-N 392.437 0.491 0 40 GCAB Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)no1 238874012 NOZVEZNVPGLKNL-UHFFFAOYSA-N 381.458 0.870 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2cc(-c3ccncc3)cn2)CC1 575612680 KWCAJHIUYFJDCY-UHFFFAOYSA-N 377.470 0.733 0 40 GCAB Cc1csc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)c1 1614931694 QDFUSKIIWAEMPG-AWEZNQCLSA-N 388.497 0.694 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3Oc2ncccc2F)c1 2055745708 VZLGONOEXUBXMU-YDHLFZDLSA-N 382.417 0.954 0 40 GCAB Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CC2)ccc1F 3027850 QKNAUOTXFVUENK-OAHLLOKOSA-N 399.444 0.266 0 40 GCAB Cn1c(SCC(=O)NC(=O)CN2CCCC2=O)nnc1-c1ccc(F)cc1 3333055 GZPPFEJBYOPAJR-UHFFFAOYSA-N 391.428 0.979 0 40 GCAB CCN(CC)C(=O)CC1(CC(=O)N(CC)CC)C(=O)N(C)C(=O)N(C)C1=O 4487948 XDLRGOXLTGTDEI-UHFFFAOYSA-N 382.461 0.540 0 40 GCAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c(C)c1 10104978 VRVIKUVPMJCHLM-UHFFFAOYSA-N 382.424 0.541 0 40 GCAB CS(=O)(=O)c1ccc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 12974867 LPEHHHXKUSINQW-KRWDZBQOSA-N 387.461 0.941 0 40 GCAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 17079243 RHORPQSFVXSMJQ-ZOBORPQBSA-N 388.380 0.876 0 40 GCAB COc1cnc(C2(O)CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)c(OC)n1 19566630 AOWMTSYTOJBSAN-UHFFFAOYSA-N 388.424 0.923 0 40 GCAB O=c1[nH]cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c(=O)[nH]1 19716003 HDDFVVYMFROLAR-UHFFFAOYSA-N 384.845 0.223 0 40 GCAB NC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2c1CCCC2 20573689 FWJGZWOIHRHXHQ-UHFFFAOYSA-N 394.497 0.503 0 40 GCAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 20898408 DHFIZHHGSMHKCD-UHFFFAOYSA-N 393.509 0.952 0 40 GCAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N1CCNC1=O 32776271 CGQAIISDEQYZCM-NSHDSACASA-N 384.483 0.899 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)C[C@H](C)O1 40072488 AISZHFHXHNAJHY-HOTGVXAUSA-N 397.497 0.564 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1 58159744 HDKIBQODIDEUGS-GFCCVEGCSA-N 389.499 0.226 0 40 GCAB O=C1NCCc2ccc(S(=O)(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)cc21 95436046 CFSCCIZAOLBWTM-MAUKXSAKSA-N 390.461 0.735 0 40 GCAB CCOC(=O)c1s/c(=N\C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)n(C)c1C 101345230 PZFIRIRQWBHEGT-YZSSSTSJSA-N 389.499 0.671 0 40 GCAB OC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3cccc(F)c3)O[C@@H]3CCC[C@H]32)[C@H](O)[C@H](O)[C@H]1O 257340191 ZEZCCJDXBFRRDQ-JGRDWBAHSA-N 398.427 0.641 0 40 GCAB CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(F)c(Cl)c3)[C@H]2O)CC1 514289386 RUGHPZJEMYICSW-YESZJQIVSA-N 399.850 0.501 0 40 GCAB biogenic,in-vitro O=C(O)[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 583652325 ZRRJRCJMOMIWGI-NSHDSACASA-N 378.406 0.930 0 40 GCAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCn1cnc(C2CC2)cc1=O 585236397 HWSVYEZEUCZFDG-ZDUSSCGKSA-N 387.465 0.839 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc3c2OCCCO3)CCO1 653279435 AWMBWXIAVVZTCY-AWEZNQCLSA-N 392.408 0.622 0 40 GCAB Cn1c(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)cccc1=O 1565555132 SYBNULZHNBCNEY-CRAIPNDOSA-N 375.469 0.727 0 40 GCAB O=C(Cn1ccnn1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746040 DNMDTNFCXKHSQV-UHFFFAOYSA-N 375.458 0.487 0 40 GCAB COCCNC(=O)[C@@]12C[C@H]1CCN2S(=O)(=O)c1cc(OC)ccc1OC 2056224935 HNUQTVDEYOHUGJ-SJKOYZFVSA-N 384.454 0.620 0 40 GCAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 928655 VKQZTYJZTDECDD-QWRGUYRKSA-N 379.486 0.852 0 40 GCAB C[C@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O 3480309 KHZGSAOTDSKWGU-LLVKDONJSA-N 378.344 0.977 0 40 GCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1cccc(Cl)c1 4303935 DAFSTGPFQJLFMX-UHFFFAOYSA-N 386.799 0.586 0 40 GCAB CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(F)c2)CC1 4993040 YOQRXZHCRHSKOH-UHFFFAOYSA-N 386.431 0.373 0 40 GCAB COc1ccc(CCn2c(N3CCNCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 6174404 USDDGVPIMZIIEA-UHFFFAOYSA-N 384.440 0.084 0 40 GCAB COCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 8164237 AUMNYBGMNCHRSH-UHFFFAOYSA-N 383.289 0.990 0 40 GCAB Cn1cc(S(=O)(=O)NCCSCc2ccsc2)c(=O)n(C)c1=O 9048442 HGHULGTZINNUOV-UHFFFAOYSA-N 375.497 0.357 0 40 GCAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 10250470 POZOVFPBGNXOBJ-UHFFFAOYSA-N 392.437 0.310 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)[C@H]2CCCO2)CC1 12118877 WZSPSXCHYZGMHL-GFCCVEGCSA-N 379.442 0.413 0 40 GCAB CN(C)c1ncc(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)cn1 12121432 PHUNKETYGVKCAY-UHFFFAOYSA-N 396.498 0.817 0 40 GCAB Cc1cc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n2ncnc2n1 12852457 DWDHVXOSDOVZRB-MRXNPFEDSA-N 380.408 0.921 0 40 GCAB CC(=O)N[C@@]12CCN(CC(=O)N(C)C3CCCCC3)C[C@@H]1CN(C(C)=O)C2 19713039 HLRTXMPSKXXVRS-YLJYHZDGSA-N 378.517 0.836 0 40 GCAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCOCC1 19973081 BBFSDPMBCFKSAC-KRWDZBQOSA-N 384.440 0.891 0 40 GCAB CN(Cc1ccc(/C=C/C(=O)NCCCN2CCOCC2)o1)S(C)(=O)=O 20450105 CNRHDAWMNLJCBW-VOTSOKGWSA-N 385.486 0.523 0 40 GCAB COc1ccc(C(=O)N2CCNC(=O)C2)cc1S(=O)(=O)N1CCCCCC1 23419821 LKEANUGXWVXETH-UHFFFAOYSA-N 395.481 0.832 0 40 GCAB CCCn1nc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1=O 23461744 YEGPEXMJHYEBQG-UHFFFAOYSA-N 382.428 0.292 0 40 GCAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)nsc1N)[C@H]1CCS(=O)(=O)C1 25066769 FCQFTFNHZCQJPA-ZJUUUORDSA-N 375.472 0.615 0 40 GCAB CN(C)S(=O)(=O)c1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 25685844 UHKMJCAZUBKOSS-KRWDZBQOSA-N 381.498 0.760 0 40 GCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O 32682453 VABBHIOHGYTMBC-UHFFFAOYSA-N 396.245 0.596 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1 40081135 WQYSWLHOMFTBHN-GJZGRUSLSA-N 399.488 0.866 0 40 GCAB COCCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 40160353 OVBOBNWQHQOUON-MRXNPFEDSA-N 386.470 0.913 0 40 GCAB CC(C)CCN1C[C@@]23CN(C(=O)c4cncn4C)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146065 TZECRZPGSKMRMA-KMFMINBZSA-N 382.486 0.464 0 40 GCAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC3CCN(C)CC3)[C@@H]2O)cc1 96296138 LTJSDSPDILAKBO-KURKYZTESA-N 383.514 0.085 0 40 GCAB biogenic,in-vitro O=C(Cn1ncccc1=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96371010 GEFPIQYFQVXDOZ-CQSZACIVSA-N 381.841 0.972 0 40 GCAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2cccs2)CC1 100885077 QKELCWYYBCYIFH-OKILXGFUSA-N 395.506 0.963 0 40 GCAB Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)ccc1OCC(N)=O 226687791 DOTCIUPHMOYUEC-AWEZNQCLSA-N 397.497 0.784 0 40 GCAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCNC(=O)C1)NC2=O 247969900 UGEIRJRXKBCALD-KXUBAAQCSA-N 399.447 0.908 0 40 GCAB CN(C)CCNC(=O)c1nnc2n1C1(CCN(Cc3ccco3)CC1)COC2 306132587 LMZQBBHCGIDZLP-UHFFFAOYSA-N 388.472 0.684 0 40 GCAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(Cl)c1 530509222 IOTYBENVNNCVDY-UHFFFAOYSA-N 383.861 0.842 0 40 GCAB CC(C)(C)n1cc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cn1 539822172 JEMDWOOZMKRXSA-MRXNPFEDSA-N 397.545 0.059 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)c1 575420486 CDWLMORBQWSNIH-OAHLLOKOSA-N 392.499 0.149 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1cccc(Cl)c1 2332242046 YRQDEVABPGXNHS-BZSNNMDCSA-N 392.887 0.766 0 40 GCAB CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccnn3C)C2)c(C)n1 2808649 BGDSSKKVCRMVBM-AWEZNQCLSA-N 394.501 0.662 0 40 GCAB COc1cc(C2=NN(C(C)=O)[C@H](N[C@H](CO)C(=O)O)C2)cc(OC)c1OC 5457522 WOGIMMGZDYZMLE-DOMZBBRYSA-N 381.385 0.030 0 40 GCAB O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)C1=COCCO1 5895198 YIGJAFCUKZPJIA-HNNXBMFYSA-N 395.433 0.634 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCCN(C)C 11904705 LLCVGNBALZBBAO-UHFFFAOYSA-N 389.499 0.210 0 40 GCAB NC(=O)c1cncnc1CC1CCN(C(=O)COC[C@@H]2CCCCO2)CC1 19757055 JBVZMPGRTWPTQB-HNNXBMFYSA-N 376.457 0.942 0 40 GCAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)c(C)c1 19991852 FRQQMTLVACRPHN-UHFFFAOYSA-N 399.513 0.511 0 40 GCAB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 22198133 ZDFVBSGWBAWLSE-CYBMUJFWSA-N 383.470 0.938 0 40 GCAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23763055 NTBWFFHOYMIMMF-INIZCTEOSA-N 392.456 0.956 0 40 GCAB COc1cccc(C(=O)NCCNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 26374952 WRPWRKXKMBQWMX-LJQANCHMSA-N 388.424 0.262 0 40 GCAB CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 32718858 KALNIUWMTLHZHA-HNNXBMFYSA-N 388.511 0.326 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)cc1 36386863 SIMZPTGEQRSZJP-UHFFFAOYSA-N 395.510 0.229 0 40 GCAB Cn1ncc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1-n1cccc1 61717538 JJBDRSAYZMKYIQ-CQSZACIVSA-N 377.470 0.156 0 40 GCAB COC(=O)C(C(=O)OC)C12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 101446742 MQKIUSNYAGLHMZ-JHRUXKDBSA-N 385.210 0.577 0 40 GCAB C[C@@H](C(=O)N1CCOCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 105695936 OGQYQJOLRJXKLZ-VBKZILBWSA-N 386.452 0.798 0 40 GCAB CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@@H](C(=O)O)CO[C@H]12 253388183 RQVIOHJGPCAFPM-YOSLEZHJSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro CN(C)S(=O)(=O)N[C@H]1CCc2onc(CNC(=O)C3CC(F)(F)C3)c2C1 2055729848 UFLIMJKHRGCAMI-JTQLQIEISA-N 392.428 0.589 0 40 GCAB CC(C)Cn1c(N)c(-c2csc(N3CCN(C)CC3)n2)c(=O)n(C)c1=O 5109731 YTGKMWFQRROAAM-UHFFFAOYSA-N 378.502 0.661 0 40 GCAB C[C@@H]1C(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C(=O)N1c1ccccc1 12923820 JQRFABFVXVSBGE-OAHLLOKOSA-N 394.435 0.983 0 40 GCAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3CC)CC1 13532054 YXWYBEFAVMJQIQ-UHFFFAOYSA-N 379.446 0.634 0 40 GCAB CS(=O)(=O)N1CCCc2ccc(NC(=O)CCN3C(=O)CCNC3=O)cc21 19660863 KDNXZALABLWWQW-UHFFFAOYSA-N 394.453 0.669 0 40 GCAB COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)Nc1ccsc1 20465311 TVKKLRJVZXTOAA-RBGFHDKUSA-N 385.486 0.470 0 40 GCAB biogenic,in-vitro O=C(CN1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1)N1CCCC1 32240725 VILHKXLDOVXQML-KRWDZBQOSA-N 386.500 0.460 0 40 GCAB NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)o2)CC1 35597407 QEFAIEXZESIDAG-UHFFFAOYSA-N 381.410 0.689 0 40 GCAB COc1ccccc1N1CCN(C[C@H](O)CN2C(=O)C(C)(C)N=C2O)CC1 71282611 RFORDMJRDZVYAP-AWEZNQCLSA-N 376.457 0.713 0 40 GCAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1cn[nH]n1 72311715 CLVFKMJTYAWBAW-LBPRGKRZSA-N 387.462 0.660 0 40 GCAB COc1ccc(OC[C@H](O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)cc1 100619032 ZIYIZNJURNYGFB-SNVBAGLBSA-N 392.437 0.171 0 40 GCAB CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3nccnc3N)c2)n1 514245718 BRZCLRKIXYRXOK-UHFFFAOYSA-N 381.400 0.723 0 40 GCAB COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 534828338 PXESXJHZRSWBCN-MSOLQXFVSA-N 397.435 0.839 0 40 GCAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2C[C@@H](N)[C@H](c3cnn(C)c3)C2)c1 564833995 QMCYWIBTOAUXDW-JKSUJKDBSA-N 377.470 0.802 0 40 GCAB CN(C)C(=O)[C@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1 585285249 WUBIKFYSVIRZGQ-HNNXBMFYSA-N 375.535 0.353 0 40 GCAB Cc1c(C(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)cnn1-c1ccccc1 1565519330 LHMDPXWVUSOXDY-UHFFFAOYSA-N 394.435 0.942 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@]3(CO2)CN(Cc2ccncc2)CCO3)C1 2056226730 YRKAOAGIVAFOJG-FUHIMQAGSA-N 388.468 0.165 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@@H]1CCS(=O)(=O)C1 3531219 KYPYLNLZTJEHQS-ACJLOTCBSA-N 391.449 0.073 0 40 GCAB CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCOc2ccccc2)CC1 4317948 MNPSIKLASOWWIQ-UHFFFAOYSA-N 398.467 0.644 0 40 GCAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1 4502914 VSMAOZQEELLCEQ-UHFFFAOYSA-N 383.470 0.430 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 12131433 ZVGBSONLTFAWRK-DLBZAZTESA-N 391.497 0.667 0 40 GCAB C[C@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 12599694 XUIHSCGYRQEWKG-BETUJISGSA-N 384.454 0.730 0 40 GCAB COc1cccc(N2C(=O)C(=O)N(CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)c1 12846015 SDQIYFDRANYYSE-VXGBXAGGSA-N 375.381 0.626 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3Cc2ccccc2)n(C)c1=O 13115951 HAWHEELOZXKJPB-UHFFFAOYSA-N 383.408 0.480 0 40 GCAB COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1OC 13532688 UBAXOZYREYVSLP-UHFFFAOYSA-N 397.439 0.667 0 40 GCAB CNc1nnc(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)s1 16132974 RCLDGZXVGZOLMI-UHFFFAOYSA-N 385.496 0.909 0 40 GCAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCC2(CC1)OCCO2 16363214 UOJYJMAPQQDAMZ-UHFFFAOYSA-N 385.467 0.900 0 40 GCAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(NN1CCN(C)CC1)C(F)(F)F 19168533 RUDZIAODFBZILM-OAHLLOKOSA-N 389.378 0.385 0 40 GCAB O=C(NCCCN1CCOCC1)C(=O)NCC1(c2ccccc2)CCOCC1 20745088 DJJQJNMOFUNPDB-UHFFFAOYSA-N 389.496 0.690 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 22228441 RZZMUKYWFRHUAS-HNNXBMFYSA-N 397.497 0.327 0 40 GCAB O=C([C@@H]1CCCO1)N1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 23409115 LUSLTLTYZVBPBB-WMZOPIPTSA-N 392.452 0.616 0 40 GCAB COc1ccccc1CNC(=O)CNC(=O)Cn1nnc2ccccc2c1=O 36365736 RKNPJFOMNMQNJB-UHFFFAOYSA-N 381.392 0.233 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 72335129 WYPANGDBBIBPBM-CHWSQXEVSA-N 398.876 0.995 0 40 GCAB C=CC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 101192493 UPUKDCLNFWZQGS-CQSZACIVSA-N 384.270 0.190 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NC3[C@H]4CCCC[C@H]34)cc2)CCN1 101457382 NTWVGBUKBIYFPM-GJZGRUSLSA-N 377.466 0.726 0 40 GCAB Cn1c(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)cc(=O)n(C)c1=O 257343242 ZSCAKPCMXVRAQP-FQEVSTJZSA-N 387.436 0.520 0 40 GCAB Cn1cncc1CN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 604381644 IZBNLWFMQBKEDG-QGZVFWFLSA-N 399.470 0.970 0 40 GCAB biogenic,in-vitro Cn1cc(N2C[C@@H](C(=O)NC[C@@H]3CCCO[C@H]3c3ccnn3C)CC2=O)cn1 628116963 MLZJISYWLUSDML-SUNYJGFJSA-N 386.456 0.791 0 40 GCAB c1cnc2ncnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2c1 2086889765 YRKVHVCZFDBHFZ-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB O=C(CS(=O)(=O)c1nnnn1-c1cccc2ccccc12)N1CCOCC1 1440533 YMBPANBCLZYJCV-UHFFFAOYSA-N 387.421 0.448 0 40 GCAB NC1=NN=C(N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)n2ncnc2C1 6058533 COGIZPYAVUEAKW-AWEZNQCLSA-N 396.308 0.811 0 40 GCAB Cc1ccc(Nc2nc(N)nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1 8709916 WPOUBGAEKPPRAO-UHFFFAOYSA-N 393.411 0.301 0 40 GCAB COc1ccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8996403 QWXIBVHGPCCCCW-UHFFFAOYSA-N 383.452 0.812 0 40 GCAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NC(=O)NC1CCCC1 9691310 CFEQTRYITXBILL-LJQANCHMSA-N 386.408 0.985 0 40 GCAB CCc1nc2ccccc2c2nn(CC(=O)N3CCN(C(C)=O)CC3)c(=O)n12 19523251 HJKJGMQPFVVZLP-UHFFFAOYSA-N 382.424 0.297 0 40 GCAB COC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc(C)c1C 20624000 OBMMKLCFCOOWJE-UHFFFAOYSA-N 383.470 0.929 0 40 GCAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)cc1 33277308 MOCYWURKAUZXGT-UHFFFAOYSA-N 396.407 0.670 0 40 GCAB CCc1ccc(C(=O)N(CC)CC(=O)NC)cc1S(=O)(=O)N1CCOCC1 40118830 HSBYBOKFOOEINY-UHFFFAOYSA-N 397.497 0.478 0 40 GCAB C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)n1ccnc1 40144813 OSCBYJSPPHBMCT-GFCCVEGCSA-N 380.426 0.809 0 40 GCAB NCCN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)[C@H]1CO 72321390 XKJCIZGQQJMVGT-SJLPKXTDSA-N 377.441 0.271 0 40 GCAB biogenic,in-vitro O=CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)O)CC1 72406049 LMKIRRBOBSLRAF-LLVKDONJSA-N 388.346 0.904 0 40 GCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3Cc4ccccc4C3)C2)C1=O 225384972 KTWKSOIYAZBFDQ-MOPGFXCFSA-N 383.492 0.812 0 40 GCAB biogenic,in-vitro CN(C)S(=O)(=O)N1CC[C@H](Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1 257202025 AKDVZKUILBPVIE-GFCCVEGCSA-N 391.453 0.908 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)C[C@@H]12 664739775 NOHXYUVPCNMYLZ-DIECFANBSA-N 396.513 0.775 0 40 GCAB O=C(NC[C@H]1COc2ccccc2O1)C(=O)NC[C@H]1COc2ccccc2O1 2117729 TUTVPOULEBADMC-KBPBESRZSA-N 384.388 0.899 0 40 GCAB Cn1c(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc(=O)n(C)c1=O 11426445 RBSOSCGXUGFLER-UHFFFAOYSA-N 382.376 0.097 0 40 GCAB CN(CC(=O)NCCc1nnc2ccccn12)S(=O)(=O)c1ccc(F)cc1 11545896 HYLDJCFJFOEVRN-UHFFFAOYSA-N 391.428 0.848 0 40 GCAB CCOC(=O)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 11845085 YNNAJAJNJJYVKL-UHFFFAOYSA-N 398.419 0.380 0 40 GCAB COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC2CC2)c1OC 12551909 JBZGHIVYHBBZTG-UHFFFAOYSA-N 384.454 0.865 0 40 GCAB O=C1O[C@H](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 12995995 HYHVNTAAFWCEQC-XJKSGUPXSA-N 378.450 0.620 0 40 GCAB CCN(CC)C(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228509 MEMPGKGNXCEAEV-UHFFFAOYSA-N 381.498 0.998 0 40 GCAB CN1CCN(C(=S)NC(=O)c2nn(C)cc2I)CC1 22402115 ONRLWNZFDBWTPE-UHFFFAOYSA-N 393.254 0.287 0 40 GCAB O=C(NC1=NCCS1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 23028114 VOWKXUJAPYCGFA-GFCCVEGCSA-N 397.478 0.830 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 24726102 LDJQXOIGHGVDAG-ZDUSSCGKSA-N 381.454 0.771 0 40 GCAB CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 31772873 ZQQQLPGYNWQHJW-CYBMUJFWSA-N 395.524 0.724 0 40 GCAB NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cn2ccsc2n1 84525675 JZBOOOXJGDBRKZ-HNNXBMFYSA-N 399.476 0.657 0 40 GCAB CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 222559117 TYKLPBLEGUFUCU-LBPRGKRZSA-N 389.499 0.513 0 40 GCAB Cc1cc(C)nc(NCCC(=O)N2C[C@@H](O)[C@H](n3cnc4c(N)ncnc43)C2)n1 257288893 PWCHJVKZTRHSIN-CHWSQXEVSA-N 397.443 0.062 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2[nH]cnc2C)C3)n1 306135329 ONSKPCVHFRMWJR-CYBMUJFWSA-N 391.453 0.525 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@]3(CO2)CN(Cc2nccs2)CCO3)C1 2056226286 OLVRSMOPDDTOBQ-QWQRMKEZSA-N 394.497 0.227 0 40 GCAB CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 1530900 HCRKCZRJWPKOAR-SNVBAGLBSA-N 383.517 0.087 0 40 GCAB biogenic,in-man COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(S(N)(=O)=O)cc1 2407662 JESUPTIANRSPJS-INIZCTEOSA-N 391.449 0.918 0 40 GCAB Cc1c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cnn1C 2732589 LEXIIHRXPGMPMM-AWEZNQCLSA-N 394.501 0.488 0 40 GCAB CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 4162147 FDHVGWGGWJJVAM-LLVKDONJSA-N 379.486 0.854 0 40 GCAB C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4762061 UYCSCAFSVRPVEP-JLSDUUJJSA-N 399.447 0.875 0 40 GCAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCOCC2)C1=O 5263327 ZKIOMVKZVGWKAY-IBGZPJMESA-N 389.408 0.474 0 40 GCAB COc1cc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 6153988 ADPDJEOTGZSDDH-UHFFFAOYSA-N 387.396 0.398 0 40 GCAB O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)N1 6759631 MRPHIBIGVWONBW-NEPJUHHUSA-N 377.422 0.576 0 40 GCAB Cc1nc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C(N)=O)c(C)c1C 8704004 LNMSESODLGFJKX-MRXNPFEDSA-N 385.511 0.891 0 40 GCAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 10928110 BBCRSCJSLPMLNQ-UHFFFAOYSA-N 388.405 0.719 0 40 GCAB O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccn1 12362484 KGDVJDQSXYTYDH-UHFFFAOYSA-N 388.449 0.917 0 40 GCAB CN(Cc1cccc(Cl)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12520250 WSKCJSJDXPOKIJ-UHFFFAOYSA-N 375.816 0.746 0 40 GCAB CN1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](c2ccccc2)C1 12953695 WHIYVJZXHHMEIX-KRWDZBQOSA-N 393.447 0.761 0 40 GCAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 12997361 VNYGLULNEFOYIF-UHFFFAOYSA-N 378.458 0.877 0 40 GCAB CCCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCS(=O)(=O)C1 13042310 OXIFAESBTBCMSO-FVRSWCFKSA-N 399.513 0.913 0 40 GCAB CC(=O)NCCNC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 14077719 FLWXVHFLVRPTPA-UHFFFAOYSA-N 387.406 0.865 0 40 GCAB COC[C@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19218783 PJQWYJATTRAOSP-XOBRGWDASA-N 389.452 0.977 0 40 GCAB NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 20465423 RDFLVIUMUOWTEP-FXUDXRNXSA-N 375.391 0.275 0 40 GCAB biogenic,in-vitro CCOC(=O)Nc1cccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 22957542 RCRCADSFSUZKKL-UHFFFAOYSA-N 385.442 0.738 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 23652649 HEKNVYFSPCMOGH-KRWDZBQOSA-N 395.525 0.987 0 40 GCAB OCCN1CCN(C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 41689879 BBJNQLDCWJYPDQ-KGMASTOKSA-N 382.545 0.959 0 40 GCAB O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(Cc2ccccc2)CC1 61720750 JEXAWOCZRACXLI-UHFFFAOYSA-N 397.479 0.424 0 40 GCAB CN(C)c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 95998920 HCGHCFIGGFDZAM-OAHLLOKOSA-N 382.486 0.414 0 40 GCAB O=c1c(NCCN2CCOCC2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101693018 LEAGIYJUOLLCHM-UHFFFAOYSA-N 384.480 0.349 0 40 GCAB COC(=O)[C@H]1C2[C@H]3[C@@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C1(COC(C)=O)C34COC(C)=O 104283506 UGZGXXPIUYOPTJ-YIMIYFRFSA-N 392.404 0.429 0 40 GCAB COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3c(OC)cccc3[nH]2)C1 257235050 GWFCMDHVUDJNFU-LJQANCHMSA-N 391.424 0.143 0 40 GCAB COc1ccc2nnc(CCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)n2n1 524731521 AQZVQVVHWZWIOX-ILXRZTDVSA-N 398.467 0.925 0 40 GCAB biogenic CCCc1onc(C)c1C(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)NC)CO2 575404353 LPWUIUAVTOUUPB-OAHLLOKOSA-N 390.484 0.987 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CC(N3CCc4sccc4C3)C2)CC1 575610245 GAZVUDUULTWJKV-UHFFFAOYSA-N 383.539 0.989 0 40 GCAB CCN1C[C@]23CN(C(=O)c4ccc(OC(C)=O)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565550880 HLPIOVJSRZDFNE-SOLBZPMBSA-N 394.449 0.629 0 40 GCAB O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)C1CC(O)C1)CCC2 1565555930 SMDRIEHRBCOYBK-UHFFFAOYSA-N 375.473 0.212 0 40 GCAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 4326366 XSBGTWOLYHUERP-OLZOCXBDSA-N 380.422 0.729 0 40 GCAB biogenic Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 6527426 WRYGLBFLHNZRLB-GXTWGEPZSA-N 394.501 0.740 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCCCC1 9575637 IXGNFQUVEXAUDK-NSHDSACASA-N 392.524 0.840 0 40 GCAB COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12874561 QEOXJWICAZSPAG-FRRDWIJNSA-N 384.454 0.776 0 40 GCAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cnc2ccccn2c1=O 14900505 RIDLEQDPMAHVIX-UHFFFAOYSA-N 386.433 0.875 0 40 GCAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCN1CCOCC1 22714086 QERJXHPQBCLNNF-UHFFFAOYSA-N 376.388 0.442 0 40 GCAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 29465801 XMEUXCJYEBHBLW-OAHLLOKOSA-N 387.314 0.947 0 40 GCAB CC(C)Oc1ccc(C(=O)NCC(=O)NC2CCN(CC(N)=O)CC2)cc1 32908393 AFHOAIBDGNQNDG-UHFFFAOYSA-N 376.457 0.270 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)O)CC1 61721465 KPZYIUHDNAYTFT-CQSZACIVSA-N 394.447 0.561 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)C1 65607998 NXVUAHQGVJBXSZ-LSDHHAIUSA-N 395.481 0.671 0 40 GCAB Cn1cc(C(=O)N2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cn1 72374614 KHGRDZVHCPNKIK-HNNXBMFYSA-N 382.424 0.733 0 40 GCAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)C1 95989904 HJSOHWVFYUOWOJ-MFKMUULPSA-N 376.381 0.878 0 40 GCAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 100165831 RSENDLJUDZWZDY-MGBSGCIJSA-N 383.452 0.919 0 40 GCAB CCn1cc([C@@H]2C[C@H](C(=O)NC[C@H]3CCCO3)N(C)S(=O)(=O)N2)c(C)n1 248103351 FIFJIHWZWHHNDE-VHDGCEQUSA-N 385.490 0.086 0 40 GCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Br)cc1 643430872 LUSGUKZYECHEGG-NSHDSACASA-N 376.228 0.702 0 40 GCAB O=C(O)[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 666531230 XXSRGLSJPYHXRP-HIFRSBDPSA-N 377.397 0.161 0 40 GCAB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1083102862 KASBZRKKXLWJGO-MRVWCRGKSA-N 391.424 0.749 0 40 GCAB CC(=O)c1cc(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n[nH]1 1565545298 FFLIDMVUXGOFAY-VBNZEHGJSA-N 376.413 0.786 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O 4249313 VAOUYDSBTSVHOY-ZDUSSCGKSA-N 397.435 0.726 0 40 GCAB CCO[C@@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5732084 DQHZSEKAVUOAPQ-JJXSEGSLSA-N 376.358 0.108 0 40 GCAB CCc1cccc(NC(=O)NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)c1 8682585 IUUGMYLEEHGSQI-UHFFFAOYSA-N 389.368 0.762 0 40 GCAB CCOc1cccc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)OC)c(=O)oc12 11565754 AKZODUKUFDDXBS-CYBMUJFWSA-N 388.376 0.695 0 40 GCAB O=C1CN(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C(=O)N1 12983432 GFXCYXQPSLXRLL-UHFFFAOYSA-N 378.344 0.679 0 40 GCAB COC(=O)C1CCN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1 15924723 VIPLYNHBYKAGPN-UHFFFAOYSA-N 379.438 0.527 0 40 GCAB CON(C)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 25045192 XXXBVIVITIHKOE-UHFFFAOYSA-N 383.426 0.789 0 40 GCAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNS(=O)(=O)c2ccccc2)CC1 30879770 RMIBGFFIPVLSHO-VSZNYVQBSA-N 384.498 0.186 0 40 GCAB biogenic,in-vitro COc1cccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 31437156 JDONHKPJCRKMNV-ZDUSSCGKSA-N 379.438 0.477 0 40 GCAB CCOC(=O)C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(OC)c1 58047923 INQJYNZKVONEDE-CQSZACIVSA-N 375.381 0.356 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)c1 95970721 JDJVCRAOIHLBIK-AWEZNQCLSA-N 384.454 0.674 0 40 GCAB CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1 96296002 IUSDDMDCQWREOH-BHYGNILZSA-N 382.461 0.229 0 40 GCAB biogenic,in-vitro CS(=O)(=O)NCC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145850 VDFITRPFDKSIBU-GJZGRUSLSA-N 392.481 0.470 0 40 GCAB O=S(=O)(N1CCOCC1)N1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1F 100769490 PTLUWYVLDZJTGU-ZIAGYGMSSA-N 385.461 0.717 0 40 GCAB CN(c1ccc(Cl)c(C(=O)NCCN2CCOCC2)c1)S(C)(=O)=O 222499095 ZGDSSWOXZMHNMD-UHFFFAOYSA-N 375.878 0.798 0 40 GCAB CC(C)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C[C@H]1C(N)=O 257302332 SCNAPBBCFWCZNC-INIZCTEOSA-N 381.498 0.647 0 40 GCAB CN(C)S(=O)(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 569342397 PKMCHWUUQYHITO-UHFFFAOYSA-N 393.395 0.462 0 40 GCAB C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc2c(c1=O)CCN(S(C)(=O)=O)C2 583623894 CIOPAUQPFRVRCX-GXTWGEPZSA-N 382.486 0.256 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)Cc3nc(C)no3)CC2)CN1S(C)(=O)=O 1565543167 ZUDDINZGSSQTCW-CYBMUJFWSA-N 386.474 0.210 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)CN1S(C)(=O)=O 1614947232 SZWXUVUJVXSYJI-HNNXBMFYSA-N 397.497 0.137 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 6788483 DHKYMMZQYLTQOR-UHFFFAOYSA-N 375.454 0.689 0 40 GCAB Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n(N)c1=O 9128575 SZTNMNFSHQOFBW-UHFFFAOYSA-N 380.455 0.040 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(OC)c(OC)c1 10339416 ZVOXQIRMBPOFEV-HOTGVXAUSA-N 391.424 0.742 0 40 GCAB CCOCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(OC)cc3)nnc12 10967740 AWOREDQIIWMSKP-UHFFFAOYSA-N 384.396 0.783 0 40 GCAB CNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 11625415 ICDJUJJGGIGLSG-UHFFFAOYSA-N 384.502 0.933 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCCCN(C)C 11904568 QZIHDCQOIFEYED-UHFFFAOYSA-N 389.499 0.292 0 40 GCAB CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 16681492 ACKLTPOWRBZOEU-UHFFFAOYSA-N 385.486 0.488 0 40 GCAB COCCOC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19593611 OTZRYIYTLJEPFM-UHFFFAOYSA-N 375.425 0.413 0 40 GCAB NC(=O)c1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc12 22389744 YASCUEPZDPJMRO-UHFFFAOYSA-N 380.360 0.541 0 40 GCAB CN1CCN(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)CC1 23216182 MRCXRPUNEAIYAU-UHFFFAOYSA-N 389.500 0.283 0 40 GCAB CCc1nnc(NC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)s1 23351438 MPSIKBVXDRGVBJ-UHFFFAOYSA-N 393.473 0.592 0 40 GCAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)NN2CCCNC2=O)cc1F 97166179 HIISOYGGDASYAW-UHFFFAOYSA-N 380.423 0.196 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)c1 225606986 IOBDPVPTZPSMBE-UHFFFAOYSA-N 378.458 0.100 0 40 GCAB Cc1nc2cc(CCC(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 257216639 CVMGPSBVDCORBA-HGHGUNKESA-N 399.495 0.634 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1 548228774 LUAANNXZXAEGKL-CYBMUJFWSA-N 376.479 0.107 0 40 GCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575426403 SNCUAFCKHDYERP-WDEREUQCSA-N 397.858 0.207 0 40 GCAB NC(=O)C[C@H]1CN(C(=O)COc2ncccn2)C[C@H]1OC(=O)c1ccccc1 643586905 JZHCGNOIPSHTMA-LSDHHAIUSA-N 384.392 0.415 0 40 GCAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCO2 1614935941 ZHXVLBWYAYRWKD-GOSISDBHSA-N 399.513 0.920 0 40 GCAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccc2c(c1)OCCO2 6543218 ABZFANMTWWXTNM-UHFFFAOYSA-N 385.332 0.980 0 40 GCAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cn1nnc2ccccc2c1=O 9691403 MLLVIZHBYPNWEE-UHFFFAOYSA-N 387.421 0.244 0 40 GCAB O=C(O)CNC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 11866874 KEQPVXKUICLYQV-UHFFFAOYSA-N 388.376 0.368 0 40 GCAB CN(C)[C@@H](CNC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 12203794 VUCZSENWCLPPGI-KBPBESRZSA-N 381.454 0.334 0 40 GCAB CC(=O)NCC(=O)N1CCC[C@H]1c1cc(N2CCN(C(C)=O)CC2)cc(C)n1 19698323 HXPLIHPPOTYIKW-IBGZPJMESA-N 387.484 0.858 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(C)c2)NC(=O)N[C@@H]1C 23077435 FTRBHLNSZRPRMJ-GFCCVEGCSA-N 389.408 0.787 0 40 GCAB O=C(CCn1nnc2ccccc2c1=O)N1CCC(CN2CCOCC2)CC1 40118568 ZKVNJKWHMSEUJL-UHFFFAOYSA-N 385.468 0.752 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)o1 48235769 AHIOPUBCDRPPCL-UHFFFAOYSA-N 387.421 0.833 0 40 GCAB COCCOc1ccc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1 83911800 JXFZYASWSZLTIG-CQSZACIVSA-N 395.524 0.820 0 40 GCAB CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1Cl 96193156 OPVGGSUYVYDCIM-UHFFFAOYSA-N 376.862 0.952 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O 242425494 BLLDREJCXJOWEZ-USYVTKNRSA-N 389.404 0.733 0 40 GCAB CCS(=O)(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O 306124804 BZWMCBRFWRSIRJ-GFCCVEGCSA-N 375.472 0.003 0 40 GCAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(N)CCCCC3)cn2)CC1 649333645 KCUWBIPUUQHFJF-UHFFFAOYSA-N 381.502 0.763 0 40 GCAB COC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)[C@H](C)O 4015560 ZFRKCKWJPNCPAA-NILFDRSVSA-N 396.440 0.867 0 40 GCAB Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc2c3c(c(=O)oc12)CCCC3 4081849 HRYHUWQMTPEFOJ-YNIGFRRXSA-N 392.404 0.159 0 40 GCAB biogenic Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)NC[C@H]1CCCO1 8250937 CJHAENBZRBFBSE-NWDGAFQWSA-N 388.515 0.180 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2CCCC2=O)C(C)C)cc1 9114229 WWEPSGXCPSBSGR-KRWDZBQOSA-N 396.465 0.990 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCCCn1c(=O)[nH]c2ccccc21 9534262 OTSYWGFEVHYSER-UHFFFAOYSA-N 394.387 0.966 0 40 GCAB Nc1nccnc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 10277916 KDAFLJOOXUTTJP-UHFFFAOYSA-N 391.453 0.151 0 40 GCAB COc1ccc(Cl)cc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 10283519 ZYXFCBDRKUQYLW-UHFFFAOYSA-N 389.861 0.415 0 40 GCAB Cc1ccc(C(=O)NCCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1F 12869240 ONCMWORBLUVWIT-UHFFFAOYSA-N 390.415 0.845 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 14100768 KWIZRRMPGUEQKJ-UHFFFAOYSA-N 381.454 0.648 0 40 GCAB CCOC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 16182960 NFLYSXADSLYMEH-UHFFFAOYSA-N 375.374 0.567 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20566869 MTKXBMRFJIAMQO-BNVDUDBASA-N 388.399 0.220 0 40 GCAB CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 70640262 DZFRYBBADGJDRI-CQSZACIVSA-N 387.358 0.546 0 40 GCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)NCCCc3ccccc3)cc2)c1=O 77100195 RVQUIQBLTVAGCC-UHFFFAOYSA-N 395.423 0.669 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1N 95464682 NUIQGKBQOKDPGM-UHFFFAOYSA-N 391.452 0.565 0 40 GCAB CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1nc2c(s1)CCCC2 95963282 UWFHTJFSBVXEII-UHFFFAOYSA-N 388.497 0.901 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc2ccccc2oc1=O 96025170 YWATZMXABIHUFJ-UHFFFAOYSA-N 378.348 0.360 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)C1)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100754152 DICVBMHQWDGNFL-WWGRRREGSA-N 392.481 0.336 0 40 GCAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 102332123 YKWGOEPMXPEGRS-XUXIUFHCSA-N 386.364 0.652 0 40 GCAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222967267 IECUKUKHMDMJEJ-CYBMUJFWSA-N 385.486 0.440 0 40 GCAB CCCCS(=O)(=O)N(C)CC(=O)Nc1cnc(N2CCN(C)CC2)nc1 224278974 BHBMAHXCERWPEC-UHFFFAOYSA-N 384.506 0.229 0 40 GCAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)Cc4ccccc4)CCO3)nc2n(C)c1=O 257243872 IIXSTXQMFSLVPV-QGZVFWFLSA-N 394.431 0.775 0 40 GCAB CS(=O)(=O)N1CCC[C@H](Cn2cc(-n3cc(C(=O)O)ccc3=O)cn2)C1 257257890 KRMWBEATUJMNOR-GFCCVEGCSA-N 380.426 0.404 0 40 GCAB NC(=O)c1ccc(N2CCN(C(=O)c3cncc(-n4ccnn4)c3)CC2)cc1 574341895 LIENXESPCWLREF-UHFFFAOYSA-N 377.408 0.724 0 40 GCAB CCNC(=O)C[S@](=O)c1cccc(NS(=O)(=O)CCOCCOC)c1 585079767 VEEMKSSDZYQYRO-DEOSSOPVSA-N 392.499 0.335 0 40 GCAB COc1ccccc1OCC(=O)NCC1(OC)CCN(S(C)(=O)=O)CC1 1888906329 JNDAKDWPAICMNP-UHFFFAOYSA-N 386.470 0.631 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)c5cnn(C)c5)C[C@H]4C3)ncnc21 1888913836 QKOSRZCHDKCRDF-HUUCEWRRSA-N 396.455 0.415 0 40 GCAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1357700 XFEUFEBROZJGDO-UHFFFAOYSA-N 392.485 0.835 0 40 GCAB CCCOC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4112273 XQNNSPNNNYHKMW-UHFFFAOYSA-N 399.407 0.639 0 40 GCAB biogenic COc1ccc(CNC(=O)[C@@H](C)SCc2nc(N)nc(N)n2)cc1OC 8704360 GRACHSPNRSKZEM-SECBINFHSA-N 378.458 0.991 0 40 GCAB COc1ccccc1[C@@H]1N=C(N2CCN(CCO)CC2)Nc2nc(C)cc(=O)n21 9289614 WRKHSZYPCSTOBB-GOSISDBHSA-N 398.467 0.499 0 40 GCAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)C1=O 11859324 LNKGSLUVYFLRIA-GFCCVEGCSA-N 395.462 0.873 0 40 GCAB C[C@H](O)CNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 13512773 DETVYNBJJHGMQJ-JTQLQIEISA-N 377.832 0.928 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c(C)c1 16229495 MHDRHUZEORFPRM-UHFFFAOYSA-N 392.481 0.745 0 40 GCAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 19709841 ABOREIAUWGNKCH-AWEZNQCLSA-N 384.506 0.830 0 40 GCAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CCC3 20589969 FOIMAXLANQWJNA-UHFFFAOYSA-N 393.465 0.219 0 40 GCAB NC(=O)[C@H]1CN(C(=O)CN2CCN(c3nccs3)CC2)c2ccccc2O1 21380174 YQBNREPVZIKXIO-OAHLLOKOSA-N 387.465 0.545 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)s1 24947812 QZHDVSMQPHSANF-AWEZNQCLSA-N 387.527 0.610 0 40 GCAB CC(C)CCNC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 39569239 UOTCALHXHQCOHZ-GFCCVEGCSA-N 381.454 0.819 0 40 GCAB CC(C)Cc1nnc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)s1 71279330 LGWVZTSLVVVDPU-JTQLQIEISA-N 399.498 0.841 0 40 GCAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cc(N2CCOCC2)ncn1 77100880 PQNKQXSNGDNWPN-GFCCVEGCSA-N 388.453 0.854 0 40 GCAB Cc1cc(N2CCC[C@H](N3CCN(C(=O)N4CCOCC4)CC3)C2=O)n(C)n1 96002598 WVGNACSHGAEICP-INIZCTEOSA-N 390.488 0.294 0 40 GCAB COc1ccc(OC[C@@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 97455814 VLEGRVOUPLXDMN-CVEARBPZSA-N 384.498 0.240 0 40 GCAB Cn1nc(C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)ccc1=O 100119446 BYQJJOQUPYDNBE-STQMWFEESA-N 377.404 0.720 0 40 GCAB NC(=O)Cc1csc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1 108450242 QKWMCNAHXCAWMB-LBPRGKRZSA-N 387.421 0.640 0 40 GCAB biogenic CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)[C@@H](N)CC(=O)O 257306102 SSXMFLYQSSPZGU-ZDUSSCGKSA-N 387.440 0.222 0 40 GCAB CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)C1 273674418 JWSLZQRINFVDQD-HIFRSBDPSA-N 395.481 0.839 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 2055772857 NKDAQNRHFRHNGB-UHFFFAOYSA-N 396.509 0.637 0 40 GCAB CCn1c(SCC(=O)Nc2cccc(C)n2)nc2c1c(=O)n(C)c(=O)n2C 930424 YMIPTERHPHSLKP-UHFFFAOYSA-N 388.453 0.888 0 40 GCAB COc1cc(C2=NN(C(C)=O)[C@@H](N[C@@H](CO)C(=O)O)C2)cc(OC)c1OC 5457654 WOGIMMGZDYZMLE-SWLSCSKDSA-N 381.385 0.030 0 40 GCAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)N1CCOCC1 8113130 XQNOEIVGAZJYHG-UHFFFAOYSA-N 380.466 0.941 0 40 GCAB Cn1c(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc(=O)n(C)c1=O 11478304 KTFNPCBGDRDFDP-FQEVSTJZSA-N 382.420 0.540 0 40 GCAB CCNC(=O)CNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 12906574 DINJEXINAHYPLH-CQSZACIVSA-N 375.878 0.895 0 40 GCAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O 20720401 DMQGRPCUZGESDI-JTQLQIEISA-N 388.380 0.080 0 40 GCAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 23022699 NMPNSWKLUWZKSF-LBPRGKRZSA-N 398.462 0.795 0 40 GCAB Cn1c(=O)c2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)nc2n(C)c1=O 40142345 DRJJGDVIRLXMQO-UHFFFAOYSA-N 394.391 0.414 0 40 GCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)NC[C@@H]1CCCO1 49545893 XWIOKUNMZWXQPA-ZDUSSCGKSA-N 375.360 0.467 0 40 GCAB CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 60239970 LAXFKTZMBXRHOH-HNNXBMFYSA-N 379.482 0.997 0 40 GCAB O=C(Cc1csc(-n2cccc2)n1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 61719543 QLTIVYAHVDPGKX-HNNXBMFYSA-N 394.522 0.808 0 40 GCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2nsnc2c1 79493811 DDMWPFKFDJPRGL-GFCCVEGCSA-N 393.469 0.331 0 40 GCAB CC1(C)S[C@]2(C)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 257173385 LRPHFKKYEGFXMH-YXPOGWMNSA-N 379.438 0.414 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@]1(CCN(Cc3ccoc3)C1)CC2 306125234 CJZWEKYYEMKNCI-HXUWFJFHSA-N 379.420 0.989 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCCN1CCOCC1 408598081 ZMDDGZHTOGXIRC-HNNXBMFYSA-N 399.513 0.509 0 40 GCAB COCCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1C 408622124 MOGXKFOJMDJXSJ-UHFFFAOYSA-N 383.470 0.257 0 40 GCAB CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cnccn2)CC1 520444298 UWVLZAXZESDVSP-CQSZACIVSA-N 397.501 0.844 0 40 GCAB CC(C)NC(=O)c1nnc2n1C[C@]1(CCN(C(=O)CC3(O)CCC3)C1)OC2 1614935227 XDFWLJIDUCBORA-GOSISDBHSA-N 377.445 0.223 0 40 GCAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cn1nnc2ccccc2c1=O 7007585 NFHVTPPQPJJROU-IBGZPJMESA-N 377.360 0.979 0 40 GCAB COCCN(CCOC)C(=O)Cn1nc2c3c(C)c(C)sc3ncn2c1=O 12144869 NJCQNYFBBCEGSM-UHFFFAOYSA-N 393.469 0.844 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 12763221 QNYLMOHJGOCWQW-SECBINFHSA-N 380.430 0.740 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NC1CCN(S(C)(=O)=O)CC1 12986074 GBYNJMRIIDEEQT-UHFFFAOYSA-N 382.485 0.237 0 40 GCAB O=C1C[C@H](C(=O)NCc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2N1 19374888 NHRDLBIWTUZREB-AWEZNQCLSA-N 383.408 0.349 0 40 GCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccco1 32103163 GRODCWHAGWGVJR-OAHLLOKOSA-N 377.422 0.475 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)c1 72335113 NYYBSFKMQZQVKS-HIFRSBDPSA-N 393.469 0.961 0 40 GCAB Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)CC2 238919164 SUVGOUXMUDMHGI-NSHDSACASA-N 376.438 0.895 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C=O)CC1 408701030 QHVGCYSOXXCJMK-UHFFFAOYSA-N 381.454 0.394 0 40 GCAB CN(CCOc1ccccc1F)c1nnnn1CCC(=O)N1CCOCC1 1120113016 NTBAYWYWWZPAIB-UHFFFAOYSA-N 378.408 0.576 0 40 GCAB CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@@H]1C 8393258 QQRGQONNJHXSMU-SECBINFHSA-N 379.394 0.350 0 40 GCAB O=C(NCCc1nnc2ccccn12)c1ccc(CN2C(=O)CNC2=O)cc1 11546841 RDJBFKBHPPAUET-UHFFFAOYSA-N 378.392 0.754 0 40 GCAB CCN(CC)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 12987952 GXCRCWSWYBUPML-UHFFFAOYSA-N 391.515 0.384 0 40 GCAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@H]1CCS(=O)(=O)C1 13268267 URTSDFJZMXWIJE-AWEZNQCLSA-N 385.449 0.885 0 40 GCAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 19572835 PALSTCBJXLUSOM-HNNXBMFYSA-N 394.497 0.941 0 40 GCAB CC(=O)N[C@H]1CN(S(=O)(=O)c2cn(C(C)C)nc2C)C2(CCNCC2)C1 19704096 QZVPBTFPYJKILI-OAHLLOKOSA-N 383.518 0.794 0 40 GCAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 22376435 LGATWBRZOMIFCH-UHFFFAOYSA-N 399.450 0.438 0 40 GCAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccnn1C1CCCC1 22781084 RSNNCXVSCVZBGB-MRXNPFEDSA-N 395.529 0.741 0 40 GCAB COc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 22933912 ZOPXYKRVJLMIEZ-UHFFFAOYSA-N 398.529 0.215 0 40 GCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 36359194 XKMNJAGSQKEPKC-DOMZBBRYSA-N 397.453 0.865 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 38730436 KATVDUJTHIBTJI-HOTGVXAUSA-N 387.411 0.749 0 40 GCAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO 95461417 BRUVMNDBELXQMG-BLLLJJGKSA-N 395.481 0.733 0 40 GCAB CN1Cc2c(C(=O)NC[C@@H]3CCCO3)ncn2-c2ccccc2S1(=O)=O 96266103 COSBBFKOAQZJDV-LBPRGKRZSA-N 376.438 0.915 0 40 GCAB COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(OC)CC1 257203220 APCVDMSRNNNCKV-JYBIWHBTSA-N 378.469 0.809 0 40 GCAB COC(=O)c1cccc(CN2CC3(CN(CCCO)C[C@H]4C[C@@H](O)CN43)C2)c1 514290170 UXQANVYUJVTTBT-RTBURBONSA-N 389.496 0.161 0 40 GCAB biogenic,in-vitro C[C@@H]1OC(C)(C)O[C@@H]1[C@@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1 4114232 PRBIBKGAXKRAAU-GAFUQQFSSA-N 386.412 0.728 0 40 GCAB CNC(=S)Nc1ccc2c(c1)CC1(CN2C)C(=O)N(C)C(=O)N(C)C1=O 6672362 SNWOHYBICJKWOO-UHFFFAOYSA-N 375.454 0.632 0 40 GCAB CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 6882318 ZMPSQOBSJWSLAF-KRWDZBQOSA-N 381.498 0.989 0 40 GCAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(C)on2)c1=O 8223608 PFTYTSZOXFMQTG-UHFFFAOYSA-N 390.444 0.928 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 20245583 JGLPCJHKNVUZCG-UHFFFAOYSA-N 398.485 0.844 0 40 GCAB CC(C)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)N1CCOCC1 32802950 PHBYCLRNLNYTME-INIZCTEOSA-N 384.502 0.490 0 40 GCAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1 32831227 TUVYXTVBBWRCPG-UHFFFAOYSA-N 389.477 0.881 0 40 GCAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(O)cc2)c1 44919314 XMIHQIZHTSXFQD-INIZCTEOSA-N 382.380 0.465 0 40 GCAB COc1ccc(Cl)cc1CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 48230822 TYHFQIKANFHJLH-CYBMUJFWSA-N 388.873 0.701 0 40 GCAB CCc1c(C(=O)NC[C@@H](OC)C(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 89280393 JNBAIPSMWPITPU-CYBMUJFWSA-N 376.457 0.986 0 40 GCAB CCN(C(=O)COC(=O)C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 89960935 DMAOSMASOVIQRF-VXGBXAGGSA-N 381.541 0.804 0 40 GCAB O=S1(=O)C[C@@H](N(Cc2ccco2)C[C@H](O)COc2ccccc2)[C@@H](O)C1 95442047 JEGIETFLTDYQSB-QGTPRVQTSA-N 381.450 0.679 0 40 GCAB O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H](CO)C2)cc1)N1CCCCC1 95461874 MEZXLKRMERRJBJ-AWEZNQCLSA-N 388.511 0.864 0 40 GCAB COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](CO)C2)cc2[nH]ccc12 517779464 ZYMZGIIJIXQHSX-CMPLNLGQSA-N 375.381 0.501 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)N[C@@H](CO)c2ccsc2)[C@H]1c1cnn(C)c1 613592393 NGRVDODOYVOXJZ-IMJJTQAJSA-N 378.454 0.620 0 40 GCAB CC(C)N(C)C[C@H]1CO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1565546631 BFYYYJRQMPWQSM-FXAWDEMLSA-N 377.485 0.823 0 40 GCAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccncc2)cc1 4271453 REKIAWJZKOKPKP-QGZVFWFLSA-N 398.419 0.321 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 5250952 USMOWMUZMWFFSX-UHFFFAOYSA-N 391.405 0.360 0 40 GCAB CCCn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)n(C)c1=O 8186998 SPOPOIRGCVVMJR-UHFFFAOYSA-N 392.485 0.832 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 9576273 KPNLSKQXFGVTDD-AWEZNQCLSA-N 375.454 0.657 0 40 GCAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 36365050 YCXXKUAYDGLJOW-KRWDZBQOSA-N 393.509 0.954 0 40 GCAB NC(=O)N[C@H](CC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccccc1 48300034 QBQGRIFIGDXGAL-GFCCVEGCSA-N 382.467 0.811 0 40 GCAB COc1ccccc1C[C@@H]1CCCN1CC(=O)N1CCN(S(C)(=O)=O)CC1 58141049 HCMSGSABPHOPOP-KRWDZBQOSA-N 395.525 0.806 0 40 GCAB COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@](O)(Cn3cccn3)C2)cc1 72354489 QFTBPRJXFJROPI-HXUWFJFHSA-N 386.452 0.556 0 40 GCAB C[C@@H](C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1Cc2ccccc2C1=O 72406451 REHJQCCFJKNWSU-GOEBONIOSA-N 391.493 0.362 0 40 GCAB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCNC(=O)C2)cn1 217976171 GUABKOVTRKNRGM-UHFFFAOYSA-N 387.425 0.100 0 40 GCAB Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1 257241996 IAOWSLVGNOENTP-FQEVSTJZSA-N 393.484 0.328 0 40 GCAB COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3csc(C)n3)C[C@@H]1C2 306128031 GOFSCMJURITCKB-RYUDHWBXSA-N 390.469 0.364 0 40 GCAB O=S(=O)(NCC[C@H]1CCOC12CN(c1ccc3nncn3n1)C2)C1CC1 306135611 OVXHOHFUMDTGRY-LBPRGKRZSA-N 378.458 0.192 0 40 GCAB C[C](O)[C@H]1C(=O)[N+]2=C(C(=O)O)C(S[C@@H]3CN/C(=C(/O)N(C)C)C3)=C(C)[C@H]12 1560405237 ZYBXOWODEFCMFH-IYWQKFELSA-O 381.454 0.645 0 40 GCAB C[C@@]1(C(=O)N2CCn3c(nc(CNS(C)(=O)=O)cc3=O)C2)CC=CCC1 1565554988 MWSUTXFFZLJKFR-QGZVFWFLSA-N 380.470 0.381 0 40 GCAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)n2C 4000436 NYSBNFUXZYUNIH-UWVGGRQHSA-N 377.397 0.903 0 40 GCAB biogenic Cc1cc(NC(=O)CN(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n(C)n1 12688356 URXYGRYLJSIYTI-UHFFFAOYSA-N 397.439 0.284 0 40 GCAB CC(C)CN(C(=O)COc1cccc(-n2cnnn2)c1)[C@@H]1CCS(=O)(=O)C1 12925301 OBBVGULIFYLMAQ-OAHLLOKOSA-N 393.469 0.713 0 40 GCAB NC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 13004710 VPFPGCPVTWLFBU-GXFFZTMASA-N 377.372 0.519 0 40 GCAB O=C(C(=O)N1CCN(Cc2ccccc2Br)CC1)N1CCOCC1 16439325 VEUYBGIVWCKWNG-UHFFFAOYSA-N 396.285 0.952 0 40 GCAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 22019682 CSYBBRPEQMYNQI-UHFFFAOYSA-N 384.502 0.831 0 40 GCAB CC(C)C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)N1CCOCC1 22970213 IVFZMMZDBVJQIQ-BEFAXECRSA-N 380.489 0.570 0 40 GCAB CCN(CC)CC(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95401450 SADZAJDNNSTNEV-KRWDZBQOSA-N 376.505 0.402 0 40 GCAB Cn1cnc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1 96025930 HFZWSPLSGJYFJT-UHFFFAOYSA-N 399.498 0.194 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccn1 96221479 WMSAKTRKDYJMFG-HNNXBMFYSA-N 396.403 0.980 0 40 GCAB biogenic COc1ccc(S(=O)(=O)N2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)cc1 96248722 WSBHAIXJALOTJF-MOPGFXCFSA-N 395.525 0.865 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1 585148758 GSIFHMUZKUNFEI-UHFFFAOYSA-N 381.483 0.751 0 40 GCAB O=C1CN(C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CCN1 604418894 SOIQFVPGLVXRTD-UHFFFAOYSA-N 378.860 0.727 0 40 GCAB CCOC(=O)CCCNC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 2632950 YYMFUFRPHXZFFO-UHFFFAOYSA-N 375.381 0.550 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2 4110473 WXIITVMMXUUBJN-UHFFFAOYSA-N 383.470 0.635 0 40 GCAB C[C@]1(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCS(=O)(=O)C1 9548984 LKFOEFYYJPCKBY-ROUUACIJSA-N 391.449 0.073 0 40 GCAB C[C@@H](NC(=O)c1ccnn1C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366294 GHDPLQNWUAQKSF-ZBFHGGJFSA-N 385.468 0.890 0 40 GCAB COc1cc2c(NC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])ncnc2c(OC)c1OC 25692517 BEJUEXSANFRFFQ-QMMMGPOBSA-N 399.316 0.853 0 40 GCAB COc1ccccc1NC(=O)[C@H](C)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 32739784 WWFSCFJWNGYNIL-GJZGRUSLSA-N 381.498 0.827 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1Br 35102144 XIGISGAOWJYFON-UHFFFAOYSA-N 379.276 0.756 0 40 GCAB O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)N1CCN(c2ncccn2)CC1 47655961 NDWVGGQYLYYTTO-UHFFFAOYSA-N 395.423 0.883 0 40 GCAB COc1nc(C(=O)NCC(=O)N[C@H]2CCS(=O)(=O)C2)cc2ccccc12 58217737 BOKSKRBCULNPGF-LBPRGKRZSA-N 377.422 0.277 0 40 GCAB COc1ccc(CNC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)cc1 64769784 DIZVVWZVFLXQFR-UHFFFAOYSA-N 384.440 0.633 0 40 GCAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 72306491 USLIAJJLTJXQGH-UHFFFAOYSA-N 396.513 0.395 0 40 GCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 72306794 GBWGUWSSQXIGDB-UHFFFAOYSA-N 387.849 0.364 0 40 GCAB CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H]1CCCC[C@@H]1S(C)(=O)=O 78870284 UTONRBGOZCCDBJ-KBPBESRZSA-N 384.502 0.585 0 40 GCAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 96121986 SHOWMLGPHVVQBV-UHFFFAOYSA-N 388.511 0.832 0 40 GCAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 101014132 GWZKVOFSEDYVEX-SCZZXKLOSA-N 381.142 0.833 0 40 GCAB c1ccc([Sn]2(c3ccccc3)OCCNCCO2)cc1 196000101 JCRBAFQBAPBUOV-UHFFFAOYSA-N 376.044 0.879 0 40 GCAB Cc1snnc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)N3CCN(C)CC3)O[C@@H]2C1 585109494 UKMNCGQXYZYTDV-MELADBBJSA-N 379.486 0.240 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(CC1CC1)C(=O)CO2 1565549202 RLRMYONKFQOCBA-LJQANCHMSA-N 377.416 0.630 0 40 GCAB NS(=O)(=O)c1cc(Cl)cc(CN2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)c1 1615551533 XPPJUFOXEFXDRH-JYJNAYRXSA-N 399.900 0.998 0 40 GCAB COCCNC(=O)C1(Nc2ccccc2)CCN(S(=O)(=O)N(C)C)CC1 2055754819 ZNFOXTRBZWQTBG-UHFFFAOYSA-N 384.502 0.502 0 40 GCAB NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 4030355 BERYAGXONNBGBD-UHFFFAOYSA-N 392.828 0.466 0 40 GCAB CC(=O)Nc1ncnc2c1ncn2[C@@H]1C[C@@H](OC(C)=O)[C@H](COC(C)=O)O1 4916571 CBOSURABYCYSHO-AGIUHOORSA-N 377.357 0.567 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@@H](O)[C@@H]1O 4916585 VCRUCRQMQNMLHN-GXCBOPRBSA-N 392.412 0.869 0 40 GCAB Nc1cc(N)nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 5229329 BGGDVBROJDZWBF-UHFFFAOYSA-N 381.483 0.954 0 40 GCAB CN(CC(=O)NCc1nnc2ccccn12)C1=NS(=O)(=O)c2ccccc21 8352387 GFSMVUGUQINGKT-UHFFFAOYSA-N 384.421 0.426 0 40 GCAB COCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 12647535 KGNVMGFFHCRSPC-UHFFFAOYSA-N 398.467 0.407 0 40 GCAB CC(C)[C@@H]1NC(=O)N(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1=O 12971488 IMSUEYQMOTZFBR-ZFWWWQNUSA-N 385.486 0.521 0 40 GCAB O=C(NCc1ccc(/C=c2/sc3n(c2=O)CCN=3)o1)C(=O)Nc1ccccc1 13154116 IIMCLZRVLAPXDI-XNTDXEJSSA-N 396.428 0.220 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(O)c(OCC)c1 13535616 ZWKBYKAJACRJQX-CVEARBPZSA-N 391.424 0.829 0 40 GCAB NC(=O)C1CCN(C(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 32095145 ITMBVNKRDXGIQZ-ZDUSSCGKSA-N 390.415 0.019 0 40 GCAB COc1cccc(N2CCN(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)c1 71280284 ZFGPUGOQZJEOII-HNNXBMFYSA-N 376.457 0.509 0 40 GCAB COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)nn1 96117195 UGKXXKUTGGXKNK-LBPRGKRZSA-N 391.453 0.988 0 40 GCAB CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(C)CCN2Cc1csc(C)n1 96230313 ACGUXDYSQHILGY-UHFFFAOYSA-N 393.513 0.223 0 40 GCAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cnn(-c3ccccc3)n1)C2 225666067 FRASEUWSFQZDPR-GJZGRUSLSA-N 375.454 0.952 0 40 GCAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(S(=O)(=O)c1cn(CC(C)C)nc1C)C2 257315806 VCVLHSYJVNOPNG-SJLPKXTDSA-N 397.545 0.678 0 40 GCAB CN(CCO)[C@H]1[C@H](NC(=O)c2cccnc2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257344483 ZXKSDKKKRBFOQD-YRXWBPOGSA-N 389.427 0.824 0 40 GCAB COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)Cc3ccccc3C)C[C@@H]1C2 306139067 SOLCIFKVFSTKRR-IRXDYDNUSA-N 397.479 0.836 0 40 GCAB Cc1cc(=O)n(CC(=O)Nc2cc3c(cc2C)N(C)S(=O)(=O)N3C)cn1 575613965 YYLHGHCIXOSENN-UHFFFAOYSA-N 377.426 0.630 0 40 GCAB O=C(c1ccnnc1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055782251 UWQGKEKHXRDPQQ-UHFFFAOYSA-N 382.346 0.983 0 40 GCAB COc1ccc(C(=O)NCC(=O)OCn2nnc3ccccc3c2=O)cc1OC 3261198 XHGPOCXKIKXVOI-UHFFFAOYSA-N 398.375 0.739 0 40 GCAB CCOC(=O)CCn1c(=O)c2c(nc3n(CCOC)c(C)cn23)n(C)c1=O 4251067 HSYQHDZIRHGIMQ-UHFFFAOYSA-N 377.401 0.057 0 40 GCAB Cc1ccc(S(=O)(=O)NCCNCCc2ccc(S(N)(=O)=O)cc2)cc1 6590925 ZPAVPGYSAJBUDF-UHFFFAOYSA-N 397.522 0.753 0 40 GCAB O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ccc3nncn3n2)CC1 13847662 VLRDLETUUDRLCD-UHFFFAOYSA-N 380.380 0.913 0 40 GCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2[nH]1 36741435 LGTVEMDKCVSKPV-UHFFFAOYSA-N 387.421 0.122 0 40 GCAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3nnc4n3CCCCC4)ccc21 39975531 YJNYLVDFNIHIFC-UHFFFAOYSA-N 382.424 0.958 0 40 GCAB COc1ccc(C=C(C(=O)N2CCOCC2)C(=O)N2CCOCC2)cc1OC 59501004 BTGQUOKNSHEILI-UHFFFAOYSA-N 390.436 0.805 0 40 GCAB Cc1noc(CNC(=O)C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)n1 70655668 QSWGMVSBXGFIRG-UHFFFAOYSA-N 399.407 0.841 0 40 GCAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1-n1cnnn1 100466550 YJECRINUJGJUGE-BHWMQLMCSA-N 396.407 0.641 0 40 GCAB COc1ccc(C(=O)NCCSc2nc(C)n[nH]2)cc1S(=O)(=O)N(C)C 222910030 UKZIYLFLFKJYSB-UHFFFAOYSA-N 399.498 0.894 0 40 GCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3ccnc4ccccc34)C[C@@H]21 247511885 IOCZWEIDGBHKGR-SRCQZFHVSA-N 375.450 0.871 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2c(COC)nc3ccccc32)CCN1C(C)C 257214600 CMPIJHWOGLNLQA-QGZVFWFLSA-N 387.484 0.850 0 40 GCAB O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408707758 DRXROUVGMRCNPW-UHFFFAOYSA-N 388.468 0.746 0 40 GCAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)[C@H]3CCCN3C(C)=O)cc2NC1=O 585281205 GPDXZRTXDGZMQK-KGLIPLIRSA-N 395.437 0.612 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]2O1 1565548718 IUMLWBAIRKNSLU-IMJJTQAJSA-N 384.440 0.488 0 40 GCAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)Cn1ccccc1=O)C2 1565553632 GNUHBVOOKLWBBK-IBGZPJMESA-N 386.477 0.860 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2F)cc1 3446437 NPWWCEFEPZDRSF-UHFFFAOYSA-N 379.413 0.562 0 40 GCAB Cc1cccc(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1O 11712876 GGXVCNFMGVOONP-UHFFFAOYSA-N 378.406 0.821 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1N1CCCC1=O)c(=O)n2C 14066950 LBGLZOBLLUPLKH-UHFFFAOYSA-N 396.407 0.199 0 40 GCAB Cc1nc(N(C)C)ncc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 19552696 URFMPXCEDUBBDT-UHFFFAOYSA-N 381.436 0.905 0 40 GCAB CS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 20460360 AGMNHXPQBQMHML-MRXNPFEDSA-N 383.470 0.052 0 40 GCAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 27672976 VSRVGAMWLQMHFJ-UHFFFAOYSA-N 397.478 0.813 0 40 GCAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NC)cc1OCC 28679906 VPAOAIVREAYEQT-UHFFFAOYSA-N 381.385 0.213 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 60244439 RGWXKSGSNHIJHZ-GFCCVEGCSA-N 390.556 0.676 0 40 GCAB CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@@H]1CCCC[C@H]1S(C)(=O)=O 78870285 UTONRBGOZCCDBJ-ZIAGYGMSSA-N 384.502 0.585 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 80332208 HCFBIJSVCFXLRO-LBTNJELSSA-N 397.497 0.306 0 40 GCAB CCc1n[nH]c(=O)c(CNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)c1CC 95431053 SCDHMVRLRWCTJJ-HNNXBMFYSA-N 384.502 0.571 0 40 GCAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 95475763 LOCCVQZFPLNAFB-ZIAGYGMSSA-N 379.438 0.047 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 96117165 PVZKUINZRKIPPI-UHFFFAOYSA-N 386.437 0.211 0 40 GCAB CCCn1c(C(=O)N2CC[C@@H](n3ccnn3)C2)cc2c(=O)n(C)c(=O)n(C)c21 206929122 ZTBKIKCLJPUIES-GFCCVEGCSA-N 385.428 0.127 0 40 GCAB Cn1ccc(CN2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)cc1=O 1888930323 PMAMQOYDFGUPGJ-HZPDHXFCSA-N 398.488 0.898 0 40 GCAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)NCc1ccc2c(c1)OCO2 3339541 KZWGWKQAJQPYCO-UHFFFAOYSA-N 385.332 0.616 0 40 GCAB COc1ccc(OC)c([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 4495869 ZYGQXLVTSQSCCF-CYBMUJFWSA-N 385.376 0.470 0 40 GCAB Cn1c(=O)c2nc(SCC(=O)N3CCc4ccccc43)n(C)c2n(C)c1=O 4571008 IHDJDDIBVJVOLT-UHFFFAOYSA-N 385.449 0.652 0 40 GCAB COC(=O)[C@H]([C@@H]1N[C@H](C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O 5081569 CFLMGIZSXQYPJM-QJPTWQEYSA-N 378.406 0.719 0 40 GCAB Cn1cnc2c1c(=O)n(CCCSc1nnnn1-c1ccccc1)c(=O)n2C 12525759 DBZSCMPOXUGKJC-UHFFFAOYSA-N 398.452 0.592 0 40 GCAB Cc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(C)o2)o1 12858292 LOQYDJDSTRWEDZ-UHFFFAOYSA-N 392.364 0.736 0 40 GCAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)ncnc21 12976895 QIVQQDAUXXMFJR-UHFFFAOYSA-N 395.423 0.853 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](O)CN1c1ccc(Br)cc1 13739065 KHAQMUODTYMPJP-JTQLQIEISA-N 392.213 0.698 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC[C@@H]3COc4ccccc4O3)ccc21 49548202 DSUBKXJIMHPZOG-CYBMUJFWSA-N 396.403 0.772 0 40 GCAB COCCn1nc(C(=O)NN2C(=O)c3cccc4cccc(c34)C2=O)ccc1=O 49581335 WTVXLYULONSZGK-UHFFFAOYSA-N 392.371 0.984 0 40 GCAB NS(=O)(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 58421803 ZEZAMQQTJJYCGX-UHFFFAOYSA-N 395.481 0.617 0 40 GCAB Cc1cc(Cn2c(=O)c(C)cn([C@@H]3C[C@@H](O)[C@H](CO)O3)c2=O)c2ccccc2n1 95977940 HVDOYRQARCIKRC-QYZOEREBSA-N 397.431 0.864 0 40 GCAB CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)CC1 225326748 JCYOXBZJNSTEDL-UHFFFAOYSA-N 381.454 0.675 0 40 GCAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCn1nc2c(cc1=O)CCC2 585150627 ZGMDOBZSLDMKDF-CYBMUJFWSA-N 387.465 0.450 0 40 GCAB Cc1c(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)nc2ccccn12 1565554078 JKXMHJUQXFYBES-HUUCEWRRSA-N 392.481 0.908 0 40 GCAB COc1cc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2=O)ccn1 1775974642 KNUWZRUUVQDMBZ-UHFFFAOYSA-N 393.403 0.676 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cn1 1776007876 JCMHMNIOEZVOLI-UHFFFAOYSA-N 389.359 0.871 0 40 GCAB Cn1cnc(S(=O)(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)c1 2055718375 LBXZNGVCGZXRDQ-JKSUJKDBSA-N 379.486 0.955 0 40 GCAB C[C@H](O)CNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 838200 HKYIKKDBUBUYLK-JTQLQIEISA-N 377.832 0.928 0 40 GCAB biogenic COc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 928648 SWYFBDASJGNZJS-UHFFFAOYSA-N 389.437 0.710 0 40 GCAB CCOC(=O)N1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 5272548 JHCOZFVVZOQALN-UHFFFAOYSA-N 395.437 0.522 0 40 GCAB COC(=O)c1ccc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc1 6672647 YNYXKURGIGQAFR-YBEGLDIGSA-N 380.429 0.975 0 40 GCAB C[C@H](NC[C@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6840420 WALBIVLZDGPIAT-GOEBONIOSA-N 397.497 0.803 0 40 GCAB CC(C)(C)NC(=O)COc1ccc(CNCCNC(=O)c2nonc2N)cc1 6882418 DZYFJLHBGZVDMU-UHFFFAOYSA-N 390.444 0.465 0 40 GCAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(=O)[nH]c(=O)[nH]1 8133405 IVSUIVODUQMAON-UHFFFAOYSA-N 392.437 0.880 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022312 BUONQAWZMCXZSY-GJWJFNAASA-N 393.827 0.088 0 40 GCAB NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(S(N)(=O)=O)c2)cc1 16399649 IJLLRYDJWWCMRY-UHFFFAOYSA-N 386.480 0.790 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCc1nc(-c2ccsc2)no1 31649860 CNFQQLRJUYQLET-NSHDSACASA-N 378.410 0.621 0 40 GCAB COc1ccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 36359489 CURMONJWYYKKKD-SNVBAGLBSA-N 375.834 0.773 0 40 GCAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CC(=O)N(CC2CC2)C1 40073722 VGPCVUWCXUDZKF-AWEZNQCLSA-N 376.457 0.616 0 40 GCAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cnc3ccccn3c2=O)C1=O 48290522 QOEYJNYEXAVTFL-LJQANCHMSA-N 377.360 0.807 0 40 GCAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCS(=O)CC1 66637261 BEXCKZBTJZVBDK-GOSISDBHSA-N 375.450 0.576 0 40 GCAB CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 72260122 YKXARDZZHBMKEJ-UHFFFAOYSA-N 396.451 0.449 0 40 GCAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O 225796039 BOSXZSJQZFIAAK-LLVKDONJSA-N 398.375 0.397 0 40 GCAB COc1ccc([C@H](CC(=O)NCCSc2ncn[nH]2)NS(C)(=O)=O)cc1 225953288 QGEZEPKYQNXAQE-ZDUSSCGKSA-N 399.498 0.702 0 40 GCAB Nc1nc(N)c2c(n1)O[C@@]1(COCCN(Cc3ccc(/C=C/C(=O)O)cc3)C1)C2 257322441 WFZSVGHNMDJTNL-XJDXJNMNSA-N 397.435 0.945 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cc[nH]n2)C3)n1 306137985 RLTGFOXFNXGAHX-GFCCVEGCSA-N 377.426 0.216 0 40 GCAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(N2C(=O)COCC2=O)CC1 575617808 AFVBKHVBQKTULA-GFCCVEGCSA-N 390.392 0.559 0 40 GCAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(C(=O)c2csnn2)CC3)C1=O 1565544787 RFZIEGLSBJDFOO-GOSISDBHSA-N 391.497 0.861 0 40 GCAB CN(c1nc(O)c2cnn(C)c2n1)[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 1615058662 UHUVCQKSGUKFTL-CYBMUJFWSA-N 384.444 0.472 0 40 GCAB CNC(=O)CSCCn1c(SCC(=O)NC)nc2ccccc2c1=O 3431323 FALKHEPZHUODDA-UHFFFAOYSA-N 380.495 0.714 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCOC3=O)c2)CC1 6600951 WBXCBPCKEOQVFR-HNNXBMFYSA-N 396.421 0.012 0 40 GCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 9635582 VZNMCWGKKNYIBI-UHFFFAOYSA-N 382.471 0.622 0 40 GCAB COc1cccc(C(=O)NCCNS(=O)(=O)c2cccc3nonc23)c1 12321319 FILZTRDVNYZXEW-UHFFFAOYSA-N 376.394 0.940 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 12984233 RLQXMCUELAYIAS-UHFFFAOYSA-N 399.432 0.379 0 40 GCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCC1=O 17847095 UORYTPYMKDZFPQ-UHFFFAOYSA-N 378.454 0.269 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCCOCC1CC1 22873877 CGMLYGPDMZNCAM-UHFFFAOYSA-N 378.473 0.780 0 40 GCAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22912102 ZKNWLQZJLYJYGA-OAHLLOKOSA-N 398.529 0.393 0 40 GCAB Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nccn3c2=O)cc1F 49399963 VLOILULCPDNTSB-UHFFFAOYSA-N 386.387 0.814 0 40 GCAB NC(=O)C[C@@H]1CCCCN1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 58177951 UWZKUOUTHPJMSN-INIZCTEOSA-N 381.498 0.937 0 40 GCAB C[C@@H](CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)CN1CCCC1=O 70004510 JIYQVYHVDCUVPJ-NHYWBVRUSA-N 376.379 0.935 0 40 GCAB O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)[C@H]3CCOC3)CC2)O1 96243628 BYKCFCQIORGIMW-HOTGVXAUSA-N 388.468 0.662 0 40 GCAB CCOC(=O)C1=C(CN2CCN(Cc3cc(C)on3)CC2)NC(=O)N[C@@H]1C 97402416 GSWMOXLQWAITOX-CYBMUJFWSA-N 377.445 0.619 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)Cn3cc(C)cn3)CC2)CC1 257303999 SJRCSTNEBPLCFM-FQEVSTJZSA-N 391.516 0.536 0 40 GCAB COC(=O)COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl 408592459 KPJMYGZDINUMOM-UHFFFAOYSA-N 392.861 0.502 0 40 GCAB Cn1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1C(N)=O 548007480 UHDASYADDYJTSB-MFKMUULPSA-N 395.441 0.583 0 40 GCAB CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 575421076 HNFZVNVHSITITM-MNOVXSKESA-N 384.273 0.228 0 40 GCAB O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1624448700 RXPXOPMCPGCESY-YOEHRIQHSA-N 397.435 0.998 0 40 GCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2nccs2)CC1 1772595305 LEULMRUKZJTOCT-OAHLLOKOSA-N 389.525 0.944 0 40 GCAB O=C(NCCN1CCNC1=O)C1=NO[C@@]2(CCCN(Cc3ccccc3)C2)C1 2056226099 KLSMYGUUPZAPJP-FQEVSTJZSA-N 385.468 0.939 0 40 GCAB CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363778 YKPLIDINLWOANO-ZDUSSCGKSA-N 392.485 0.978 0 40 GCAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)nn1C 2732644 HDOGIGJEXLIKRJ-ZDUSSCGKSA-N 380.474 0.810 0 40 GCAB CCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 7597595 BCNPUNUVVZLOAF-UHFFFAOYSA-N 399.517 0.463 0 40 GCAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccco1 10157571 VNPUUKBDJJWLGJ-HZPDHXFCSA-N 383.408 0.813 0 40 GCAB CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 19522523 LKJKJSNDOZVXHH-CQSZACIVSA-N 382.486 0.667 0 40 GCAB COc1ccc2c(c1)OC1(CCN(C(=O)CN3CC(=O)NC3=O)CC1)CC2=O 19562954 ZLEWEGJFAPADER-UHFFFAOYSA-N 387.392 0.573 0 40 GCAB CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)C[C@@H]1c1ccnc(N2CCCCC2)n1 19581343 IDSPCOPWNNAXFO-KBPBESRZSA-N 381.502 0.530 0 40 GCAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCC1 21874023 BQPQGOLOLQDMKM-UHFFFAOYSA-N 397.497 0.542 0 40 GCAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)n1cncn1 29758457 KUSCLNRCHWAIOG-LLVKDONJSA-N 385.396 0.650 0 40 GCAB CC(C)C(=O)Nc1ccc(C(=O)COC(=O)[C@H]2CCCN2S(N)(=O)=O)cc1 32936320 CJSYJTYWPFYYHW-CQSZACIVSA-N 397.453 0.675 0 40 GCAB CCOC(=O)N(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 40090132 YCQUIKCXHNRCJD-UHFFFAOYSA-N 399.469 0.412 0 40 GCAB COc1cc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)cc(OC)c1 49006565 YYONSUQFCKFJOS-UHFFFAOYSA-N 390.421 0.968 0 40 GCAB Cc1cc(C)n2nc(C(=O)NCCn3nnn(-c4cccs4)c3=O)cc2n1 72341018 SYXMWZDHUWYOMG-UHFFFAOYSA-N 384.425 0.580 0 40 GCAB CCN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(C)(=O)=O)CC2 96143626 AZLOUZITTHXNBV-UONOGXRCSA-N 379.486 0.185 0 40 GCAB Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 510604856 FFZQYEDFIORVBI-LBPRGKRZSA-N 375.410 0.306 0 40 GCAB Cc1c(C(=O)N2CCC[C@H]2CS(N)(=O)=O)nnn1-c1ccc(F)c(F)c1 567938886 KOEXUEXLFGJJEM-NSHDSACASA-N 385.396 0.747 0 40 GCAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 627843988 CDWJRQBNFMGFSN-HXUWFJFHSA-N 389.452 0.526 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cnn(Cc2ccccc2)c1 629575919 PZWZSEPNXYMIDD-MRXNPFEDSA-N 378.454 0.322 0 40 GCAB CN(C(=O)CSc1nc2ccccc2c(=O)n1C)[C@H]1CCS(=O)(=O)C1 6452495 HTKVARIJJWZXAQ-NSHDSACASA-N 381.479 0.671 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 6955532 HKKCNAJNFWWJAV-AWEZNQCLSA-N 383.470 0.963 0 40 GCAB C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CC(=O)OCC)n(C)c1=O 10387138 FGRRSZYAAYCEGX-WMADIVHISA-N 388.428 0.793 0 40 GCAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1=O 15843121 NEXOCXSJBODDGZ-UHFFFAOYSA-N 393.465 0.727 0 40 GCAB O=C(NC[C@H](O)CN1CCOCC1)c1ccccc1I 32819134 KHSICVNQBZECJJ-NSHDSACASA-N 390.221 0.714 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N2CCNC2=O)C(C)C)cc1 39210910 KIXIOQBJRHYYBB-OAHLLOKOSA-N 397.453 0.393 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)[C@@H]2Cc3ccccc3O2)c(=O)[nH]c1=O 39995483 RUBCBWUNVKTKIN-AWEZNQCLSA-N 388.424 0.512 0 40 GCAB CCOC(=O)CNS(=O)(=O)c1c2c(c(OC)c3c1OCO3)CN(C)CC2 40313122 MTZJJYVCLMIAFF-UHFFFAOYSA-N 386.426 0.253 0 40 GCAB biogenic Cn1cc(C(=O)NC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cn1 48332365 CNGDZPVUZOJUFF-UHFFFAOYSA-N 390.465 0.858 0 40 GCAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccco1 50145425 JWDIZFXDVXUVKT-OAHLLOKOSA-N 385.424 0.828 0 40 GCAB CN1CCCN(c2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(O)nc3n2)CC1 67262821 FCDAVGLVGPTIRH-UHFFFAOYSA-N 396.407 0.752 0 40 GCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)c1=O 77100191 WCWVCWNZYSNKLD-UHFFFAOYSA-N 396.392 0.171 0 40 GCAB O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)C1 95452423 LCYVLVDGBBZPFE-ZIAGYGMSSA-N 388.449 0.656 0 40 GCAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1 95468470 QMKZUVCMAOWFNE-HXUWFJFHSA-N 394.560 0.938 0 40 GCAB COc1ccc(OC[C@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 97455815 VLEGRVOUPLXDMN-JKSUJKDBSA-N 384.498 0.240 0 40 GCAB COc1cc(CN2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)ccc1OCCN(C)C 257249469 JIMZRDUVBBRULM-KZNAEPCWSA-N 395.500 0.068 0 40 GCAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1O 257280736 OMDLDXMPSKCTDA-JHJVBQTASA-N 388.852 0.384 0 40 GCAB Cc1noc(CN2CCCC[C@@H](NS(=O)(=O)c3cncc(F)c3)C2=O)n1 585088427 APFBNZBKUICWGJ-CYBMUJFWSA-N 383.405 0.772 0 40 GCAB Cc1ccc(N2C(=O)[C@@H]3Nc4nc(N5CCOCC5)nc(O)c4[C@H]3C2=O)cc1 675020656 ZZPCNPCHAHYRQV-TZMCWYRMSA-N 381.392 0.778 0 40 GCAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N[C@@H]1CCS(=O)(=O)C1 1548348505 NQVACIWQEYMRDS-OAHLLOKOSA-N 392.477 0.885 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565548050 QJHRBAASHOXVCJ-UHFFFAOYSA-N 381.498 0.710 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2cnc(-c3ccccc3)nc2)NC(=O)NC1=O 1616035232 UPSQIMCBWOLPQR-IBGZPJMESA-N 391.391 0.342 0 40 GCAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCOCC1 4944017 GFMARZOLOJNZNX-UHFFFAOYSA-N 384.454 0.254 0 40 GCAB O=C(NCCCO)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5340088 MTOYLMXSAMTHDB-UHFFFAOYSA-N 375.834 0.317 0 40 GCAB O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6628795 LAZNHTFGERWHEJ-UHFFFAOYSA-N 382.829 0.570 0 40 GCAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C1=O 12554233 NIXHJEIDKXKGEA-HNNXBMFYSA-N 398.460 0.260 0 40 GCAB O=C(OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 14586322 LDFVROHMRYBVGB-MHORFTMASA-N 390.388 0.144 0 40 GCAB biogenic C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 16552278 RZUYICCFWFSHFT-VIFPVBQESA-N 377.422 0.801 0 40 GCAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CNC(C)=O)CC3)C2=O)cc1 18217929 RTTUYQJFPHCXPQ-QGZVFWFLSA-N 387.436 0.953 0 40 GCAB CCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C 20354914 ULKFFEYQYSHSHH-UHFFFAOYSA-N 392.460 0.498 0 40 GCAB COCCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614120 RBXRDUSJFIENIB-OAHLLOKOSA-N 393.440 0.058 0 40 GCAB C[C@H](C(=O)NC1CC1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 24894363 JQNDFEQWCVPIRQ-SNVBAGLBSA-N 383.378 0.932 0 40 GCAB CCN(C(=O)[C@@H](C)N1CCN(Cc2cc(C)no2)CC1)[C@H]1CCS(=O)(=O)C1 32843195 RLUFWQDIMTVWKG-CVEARBPZSA-N 398.529 0.525 0 40 GCAB O=C(CNC(=O)Cn1nnc2ccccc2c1=O)NCCCc1ccccc1 36366363 HARGDRRSMVGACC-UHFFFAOYSA-N 379.420 0.657 0 40 GCAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc21 40005743 OPLXWTDKBBJOAK-INIZCTEOSA-N 386.495 0.841 0 40 GCAB Cn1ncc2c(N3CCN(Cc4cc(=O)n5ccccc5n4)CC3)ncnc21 40040210 JMONHAPTBBDBLX-UHFFFAOYSA-N 376.424 0.693 0 40 GCAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 40121369 GWEZQCGWKKKJBZ-CABCVRRESA-N 380.466 0.390 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nnc(C)n3C)CC2)o1 48324933 YKGXFWNATHBPGL-UHFFFAOYSA-N 383.430 0.010 0 40 GCAB COCCN1C[C@@H]2[C@H](C1)c1nc(NCc3ccccn3)ncc1CS2(=O)=O 96252112 KCPYUBNNSRXXJC-JKSUJKDBSA-N 389.481 0.826 0 40 GCAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCSc1ncn[nH]1 225879424 YIFRVCPGGXLFNM-UHFFFAOYSA-N 376.489 0.488 0 40 GCAB CCCc1cc(=O)n(CC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)cn1 575620751 SVETZYYURRNKQW-UHFFFAOYSA-N 382.468 0.823 0 40 GCAB CN(C)[C@H]1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)OC[C@]1(C)O 585291730 SLWLWLZOAFNQPG-GFXSFYIYSA-N 381.517 0.338 0 40 GCAB CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)CCS(C)(=O)=O)C3)O2)CC1 1142529267 MTDBLDLDJZIATB-SJLPKXTDSA-N 387.546 0.209 0 40 GCAB CCOC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 10387049 YOBMYTYURUOZLZ-UHFFFAOYSA-N 376.417 0.312 0 40 GCAB COCCNC(=O)CSc1nc(O)cc(CC(=O)NCc2cccs2)n1 23145318 SWHRLJUHINKDDF-UHFFFAOYSA-N 396.494 0.957 0 40 GCAB O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(Cc1cccnc1)C1CC1 32826877 FVQBOLOAHXFRKQ-HOCLYGCPSA-N 377.466 0.608 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCNC1=O 36384155 MMXJMAWKVMZXAN-UHFFFAOYSA-N 392.481 0.033 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNC(=O)[C@H]3C)C2)cc1 36700552 CDCJDDLWUSHYTA-KGLIPLIRSA-N 395.481 0.443 0 40 GCAB O=C(O)Cc1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]c1=O 49468671 HWCNQQXPKHJFKI-UHFFFAOYSA-N 391.449 0.967 0 40 GCAB NCCN1C(=O)CO[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)[C@H]1CO 72321372 OYTPBUJHXLLPKN-WIYYLYMNSA-N 399.447 0.924 0 40 GCAB biogenic,in-vitro Cc1cc(NC(=O)COc2cn(C)c(C)cc2=O)n([C@H]2CCS(=O)(=O)C2)n1 80337898 AATXAHAMJDEGJW-ZDUSSCGKSA-N 394.453 0.576 0 40 GCAB CCCn1nnnc1CN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O 89960673 HFKXSSBVWPVWFW-ZDUSSCGKSA-N 382.380 0.397 0 40 GCAB CC(=O)N1CC[C@H](CN(C)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 95974407 DPHFBDJQXZPNAJ-CQSZACIVSA-N 392.485 0.366 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2ccnc2)cc1OC 408587877 CMSFYNGRBFJJHZ-ZDUSSCGKSA-N 396.469 0.774 0 40 GCAB NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 575603372 FPXLAXVFEJKIJR-UHFFFAOYSA-N 398.467 0.124 0 40 GCAB CN1CCO[C@@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)[C@@H]1c1cnn(C)c1 666669832 CUKLKOUMEUGZGN-KBPBESRZSA-N 376.465 0.960 0 40 GCAB CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1scnc1C 684483896 LXICEVPDPVQHMW-CAOSSQGBSA-N 398.504 0.804 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC(Cn3cncn3)C2)cc1 888107208 YKKZLIADVGHRCK-UHFFFAOYSA-N 375.410 0.252 0 40 GCAB CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCN2C12CCOCC2 1772595756 LFWQPHDAHBXQDD-MRXNPFEDSA-N 397.472 0.869 0 40 GCAB O=C(Cn1ccccc1=O)N1C[C@H]2OCCN(C(=O)c3cscn3)C[C@H]2C1 2055730322 XDSOLZWFDQXLCR-DZGCQCFKSA-N 388.449 0.304 0 40 GCAB CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 1725702 UHHOKYHLNSWFNG-UHFFFAOYSA-N 394.863 0.763 0 40 GCAB Cc1c(Cl)c(C(=O)NCCNC(=O)C(=O)Nc2cccnc2Cl)nn1C 2733238 ICBQFFGZGNSZBS-UHFFFAOYSA-N 399.238 0.915 0 40 GCAB OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O 3881961 HSTZMXCBWJGKHG-HPYOEDFTSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro CCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C 4102817 AZOQOTAQLZIBDY-UHFFFAOYSA-N 377.426 0.455 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)cc1OC 5008501 YXSNNOTVZXYAAF-CYBMUJFWSA-N 386.470 0.603 0 40 GCAB CN(C(=O)COC(=O)c1cncc(Br)c1)[C@H]1CCS(=O)(=O)C1 6379228 ZCROHLRAVOVCEO-NSHDSACASA-N 391.243 0.646 0 40 GCAB CCOC(=O)c1nc2[nH]c(CSc3nnnn3-c3ccccc3)cc(=O)n2n1 10157037 LAMKDDFTKFBOLQ-UHFFFAOYSA-N 398.408 0.862 0 40 GCAB COCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3cccnc3)nc2C)CC1 12229849 FQAWAXUJZWJSCK-UHFFFAOYSA-N 391.453 0.326 0 40 GCAB COC(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12809926 SNVSRKFNEFIYMK-CYBMUJFWSA-N 393.421 0.577 0 40 GCAB COC(=O)c1ccc(C(c2c(O)nc(C)[nH]c2=O)c2c(O)nc(C)[nH]c2=O)cc1 16363266 IMNICDSVWVPALA-UHFFFAOYSA-N 398.375 0.848 0 40 GCAB CNC(=O)c1ccc(CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1 40059695 GRTVRVQNCVGGNS-UHFFFAOYSA-N 384.436 0.855 0 40 GCAB C[C@H]1CN(CCNC(=O)c2nc(N3CCOCC3)ncc2Cl)C[C@H](C)O1 48354084 WVQRDTJMAIDFDV-STQMWFEESA-N 383.880 0.806 0 40 GCAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1nc(-n2cccn2)ccc1=O 70640974 XOWSQRGEQOWMSC-ZZXKWVIFSA-N 379.376 0.987 0 40 GCAB CCOC(=O)c1cn([C@@H](CC(=O)Nc2ccccc2)C(=O)NCCOC)nn1 95471809 IKVCAJUTXGUMET-HNNXBMFYSA-N 389.412 0.787 0 40 GCAB CN1CCN(c2c(NC[C@H](c3ccccc3)N3CCN(C)CC3)c(=O)c2=O)CC1 101687151 LDULNDASTDJFQL-GOSISDBHSA-N 397.523 0.435 0 40 GCAB O=C(c1cccc(O)c1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306126535 DYPKJVWISVJFPB-AWEZNQCLSA-N 389.433 0.891 0 40 GCAB CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575426400 SNCUAFCKHDYERP-GHMZBOCLSA-N 397.858 0.207 0 40 GCAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc2c1OCCO2 575614913 AFTOTUBIMJTAAC-CQSZACIVSA-N 380.466 0.839 0 40 GCAB O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cn3c(n2)COCC3)cc1 625205065 LSNKJNUGNXSWCB-UHFFFAOYSA-N 399.451 0.728 0 40 GCAB CN1CCN(C(=O)[C@@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@H]2O3)CC1 1565546660 CAPITDNIRCVHAV-GVDBMIGSSA-N 376.432 0.153 0 40 GCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)[C@@H]3CCOC3)C1)OC2 1565553803 JTGHXGVMDMTQTP-XIKOKIGWSA-N 375.429 0.098 0 40 GCAB COc1ccccc1NC(=O)CN1CCO[C@@H](C(=O)N2CCSCC2)C1 2086881954 KEMFPUICEVSQBF-MRXNPFEDSA-N 379.482 0.910 0 40 GCAB O=C(NC[C@@H]1COc2ccccc2O1)C(=O)NC[C@@H]1COc2ccccc2O1 2117731 TUTVPOULEBADMC-ZIAGYGMSSA-N 384.388 0.899 0 40 GCAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)NC(N)=O 3521798 BYNSJWZPAGHCDL-JTQLQIEISA-N 395.393 0.498 0 40 GCAB Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CCO)n(C)c1=O 4123622 PCDJUZWFLURFFL-UHFFFAOYSA-N 388.815 0.304 0 40 GCAB biogenic COc1cc2c(cc1OC)CN(c1nc3c(c(=O)n(C)c(=O)n3C)n1C)CC2 5209039 RPQNWLSQMHHNIL-UHFFFAOYSA-N 385.424 0.551 0 40 GCAB CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 8654150 QPTJZYNVARYVOK-LBPRGKRZSA-N 396.451 0.732 0 40 GCAB Cn1c(=O)c2[nH]c(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O 9356338 HVJNPTDMKCEWSA-AWEZNQCLSA-N 396.451 0.493 0 40 GCAB O=C(NCC(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9481330 XOUXVMMGIJGTDF-UHFFFAOYSA-N 397.472 0.965 0 40 GCAB CCNC(=S)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 10339328 YRGYKQZJIZLOOO-MRXNPFEDSA-N 389.525 0.420 0 40 GCAB CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 12528684 PVBOCESJIWIOFH-NSHDSACASA-N 383.455 0.106 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccc(Cl)cc2)n(C)c1=O 12538077 ODPUKSDLVGNKOT-UHFFFAOYSA-N 375.816 0.446 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1 16187788 OUIIPBLNEUAUOA-UHFFFAOYSA-N 385.486 0.154 0 40 GCAB CN(C)CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30758338 MQAXCIDJRWRLSM-CQSZACIVSA-N 375.878 0.935 0 40 GCAB Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 31900972 KZWBJNAXDGOSTE-CHWSQXEVSA-N 386.518 0.525 0 40 GCAB CNC(=O)Cc1csc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 70641516 LXORJTCEMVICII-AWEZNQCLSA-N 388.449 0.798 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCOCC2)cc1 89969062 UWIHORVZNDLRSW-UHFFFAOYSA-N 397.497 0.648 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)CC1 96117382 VHEFQIHVQVEKMG-UHFFFAOYSA-N 376.438 0.729 0 40 GCAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1ncccc1=O 206802823 SRMLKCFOYNKLCQ-JSGCOSHPSA-N 375.356 0.604 0 40 GCAB C[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220455728 FNUZRHKLYPIHTC-GFCCVEGCSA-N 391.440 0.568 0 40 GCAB CC(C)NC(=O)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223349030 RZEUEBXTDURWNS-CQSZACIVSA-N 375.425 0.937 0 40 GCAB CNC(=O)COc1ccc(S(=O)(=O)NCC(=O)NC(C)C)cc1Cl 226743896 GKHFDXGFTRBOAE-UHFFFAOYSA-N 377.850 0.268 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@@H](O)CO)[C@@H]1CCS(=O)(=O)C1 575426225 OZWLJLYBTLNCPL-CHWSQXEVSA-N 397.902 0.179 0 40 GCAB O=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)Cc3cccnc3)CC2)c1 630131984 LDOQKEFCLGOTSD-UHFFFAOYSA-N 395.462 0.917 0 40 GCAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(S(=O)(=O)c1cn(C)cn1)C2 2055814242 WOERXWBNCFQNAH-MRXNPFEDSA-N 395.510 0.593 0 40 GCAB Cn1c(=O)c2ncn(CC(=O)Nc3ccc(Br)cc3)c2n(C)c1=O 679460 RQCKEGWEUUXTOW-UHFFFAOYSA-N 392.213 0.835 0 40 GCAB CN(C)c1ccc(C2=NO[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 5207760 XHKYLNRIGZARHQ-AWEZNQCLSA-N 382.424 0.693 0 40 GCAB C[C@@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N1CCNC1=O 7875757 PBSHUEXWZILAAI-LLVKDONJSA-N 380.401 0.067 0 40 GCAB COc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 9063831 SRXMHHBDTLYNIB-UHFFFAOYSA-N 383.470 0.104 0 40 GCAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4cc(C)on4)cnc32)c1 9412806 OBDXBNWUVFMJQQ-UHFFFAOYSA-N 381.352 0.921 0 40 GCAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9992925 KOBMMUBJRSAOBO-SJCJKPOMSA-N 395.437 0.225 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCc1ccncc1 11859306 BCWWQBYLWFYDDC-UHFFFAOYSA-N 395.462 0.935 0 40 GCAB CCOC(=O)N1CCC(NC(=O)Cc2csc(NS(C)(=O)=O)n2)CC1 13684020 VLIMEGLPVHNKSL-UHFFFAOYSA-N 390.487 0.794 0 40 GCAB Cc1ccccc1Nc1nc(N)nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 16091233 QXIHOSRVDUZOMW-UHFFFAOYSA-N 393.411 0.301 0 40 GCAB O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(-n2cnnc2)cc1 19659293 BCWNRTLVKUZDFZ-UHFFFAOYSA-N 396.432 0.736 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cnc21 19662777 VFTYBPYSTGDPBX-HNNXBMFYSA-N 382.424 0.733 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccncc2)cc1 20769042 BPSBIZJXNOPYMS-UHFFFAOYSA-N 376.438 0.265 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1 23058306 NZUHJUGZYNLXPB-UHFFFAOYSA-N 378.472 0.406 0 40 GCAB O=C(CN1CCC[C@H]1Cc1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 25359317 OUJOHCWZALFGRM-CVEARBPZSA-N 379.482 0.706 0 40 GCAB Cc1cc(C)n(CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 27507752 JMQXETOGHPSKNG-AWEZNQCLSA-N 395.485 0.172 0 40 GCAB CNC(=O)COC1CN(C(=O)[C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)C1 79014466 YKYKTVMVQQYGLP-YSKGHYERSA-N 375.425 0.187 0 40 GCAB O=C1COc2ccc(S(=O)(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)cc2N1 89857837 SFPHFVYAAVYFQN-CYBMUJFWSA-N 394.430 0.824 0 40 GCAB CC(C)CS(=O)(=O)C1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C1 96121994 FJBPFIOLTZHSKS-UHFFFAOYSA-N 392.474 0.386 0 40 GCAB CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCC4CC4)cn23)C1 96268053 FCVHWPFDSCIMII-OAHLLOKOSA-N 385.472 0.839 0 40 GCAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 225452538 MEELBVFBANJDMY-UHFFFAOYSA-N 393.509 0.986 0 40 GCAB O=c1c2cccnc2nc(O)n1C1CCN(S(=O)(=O)c2cccnc2)CC1 390829784 GPBMTSJVZJPMNJ-UHFFFAOYSA-N 387.421 0.918 0 40 GCAB CCOc1ncccc1NC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 585086456 GKOVQYOZPFTNEK-UHFFFAOYSA-N 376.460 0.755 0 40 GCAB O=C(NCC1(N2CCOCC2)CCC1)C(=O)Nc1ccc2c(c1)OCCO2 1775974541 UYVUSXWBYKAWSA-UHFFFAOYSA-N 375.425 0.767 0 40 GCAB CCCS(=O)(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2cccn2)CC1 2055708063 BKTWNIFMCHUVBL-UHFFFAOYSA-N 380.474 0.208 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1C1CCC(F)(F)CC1 2332242034 UUFBGWTXYXSWIE-BPUTZDHNSA-N 386.443 0.490 0 40 GCAB Cn1cc(S(=O)(=O)Oc2cccc(Br)c2)c(=O)n(C)c1=O 5055968 YSFVTFXBFZFPQB-UHFFFAOYSA-N 375.200 0.614 0 40 GCAB COCCN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148218 ZBTMMSVNNNZRAH-UHFFFAOYSA-N 386.387 0.444 0 40 GCAB CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O 5460609 XOOHSSFXDDVBAM-XZDPQHSOSA-N 394.541 0.420 0 40 GCAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)O 5733072 KQRARTKRXBMYFN-WFASDCNBSA-N 379.413 0.643 0 40 GCAB Cc1nn(CC(=O)NCc2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1 6586519 IWNPJJCZXHBTBQ-UHFFFAOYSA-N 392.481 0.837 0 40 GCAB COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 8156750 LAAIMURYENSSBJ-UHFFFAOYSA-N 385.380 0.167 0 40 GCAB CC(C)[C@]1(O)[C@@H](O)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@@]23[C@@H]1O 14823616 DYVDZVMUDBCZSA-CIVMWXNOSA-N 378.421 0.058 0 40 GCAB Cn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 17079241 HBLOJSVIZRGKLI-DGAVXFQQSA-N 388.380 0.760 0 40 GCAB Cc1nn2c(=O)/c(=C/c3ccc(I)cc3)sc2nc1=O 20035413 DJUJEKBFTCBYJB-POHAHGRESA-N 397.197 0.972 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33549369 UEVFKWIMGIZLIJ-KGLIPLIRSA-N 377.404 0.599 0 40 GCAB biogenic Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2nccs2)cc1 36357567 RTSPNBGNEHDBJQ-CYBMUJFWSA-N 394.478 0.969 0 40 GCAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCCN3CCOCC3)ccc21 36359086 CTIOHPKMSCKASO-UHFFFAOYSA-N 399.373 0.979 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 38677160 QIJMVDXGMIMDEB-UHFFFAOYSA-N 378.410 0.523 0 40 GCAB COc1c2c(c(S(=O)(=O)NC[C@H]3CCCO3)c3c1OCO3)CCN(C)C2 40312738 DUERFPYWKHMYQJ-LLVKDONJSA-N 384.454 0.869 0 40 GCAB biogenic CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O 96036383 UTIYKGAULLGAES-QGZVFWFLSA-N 379.486 0.187 0 40 GCAB CCOC(=O)N1C[C@@H]2[C@@H]3CN(C(=O)OCC)[C@@H]4C[C@@]3(C(=O)O)[C@@H]1C[C@]24C(=O)O 104071771 LTPAGGAWNDKANQ-LKLPELTNSA-N 396.396 0.850 0 40 GCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)o1 105773650 FCMMKPUCXSYWDI-AVGNSLFASA-N 381.454 0.648 0 40 GCAB C[C@H](NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107133948 FPIDJNWAPXFAQV-VJANTYMQSA-N 392.544 0.404 0 40 GCAB C[C@@]1(O)CCN(C(=O)c2ccc(CN)cc2)C[C@H]1n1cnc2c(N)ncnc21 257293660 QQPNLBFKSDWPOY-AUUYWEPGSA-N 381.440 0.705 0 40 GCAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)CC2(CC(=O)O)CCCC2)C[C@H]1O 257318520 VOHCMMMIBWJRCA-VXGBXAGGSA-N 388.428 0.578 0 40 GCAB Cn1cc(CN2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cn1 306126852 FHFAZBLJQBRBDT-HXUWFJFHSA-N 393.451 0.129 0 40 GCAB O=S1(=O)C[C@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)C1 575423752 QCHTYNOVFKFDHI-HOTGVXAUSA-N 383.447 0.745 0 40 GCAB NC(=O)c1cn(C2CCN(C(=O)NCCc3ccc4c(c3)CCO4)CC2)nn1 585123220 DWOQHWVPIDWLNO-UHFFFAOYSA-N 384.440 0.901 0 40 GCAB CCOC(=O)Cn1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 594465739 GGIQLELRUTVENZ-UHFFFAOYSA-N 395.441 0.811 0 40 GCAB C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)CCO1 1512453382 QIZPASUGZLFOQR-STQMWFEESA-N 378.477 0.617 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4250724 MYCJJRFAEHLWFI-UHFFFAOYSA-N 385.380 0.662 0 40 GCAB Cc1cc(C)cc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4303950 HCVPBXMIYMNDJD-UHFFFAOYSA-N 394.435 0.858 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC(C)C)c1 4357624 WVZCLCXSTDYFIQ-MRXNPFEDSA-N 397.497 0.681 0 40 GCAB CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 7616183 LPLJFIWAPXWWCU-UHFFFAOYSA-N 387.527 0.970 0 40 GCAB CN(CC(=O)N1CCCC1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 8851748 GPPUXHNBEVSRHZ-UHFFFAOYSA-N 386.452 0.624 0 40 GCAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)NCc1ccco1 9001124 OXIBIUPGWQNJOO-UHFFFAOYSA-N 391.387 0.911 0 40 GCAB CN1N=C(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CCC1=O 10375882 JKMBFRKOXHZTOW-UHFFFAOYSA-N 378.454 0.564 0 40 GCAB COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCOCC3)[C@H]2O)c1 12484160 LQHVMXIJNIGVNM-OVYGPGRDSA-N 379.413 0.002 0 40 GCAB biogenic,in-vitro C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NCc1cccs1 12897424 TUHDLOIEXVEDCH-LLVKDONJSA-N 395.462 0.794 0 40 GCAB COc1cc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc(OC)c1OC 18240832 GMQXDMQBGSORKP-ZDUSSCGKSA-N 391.424 0.542 0 40 GCAB COc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(N)=O)c3N)cc2)cc1 33435985 RLIOTBZBPXMCLR-UHFFFAOYSA-N 388.409 0.758 0 40 GCAB CN(C(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O)[C@@H]1CCS(=O)(=O)C1 33543825 JBJLBDQCNLJPKF-VPMLRQHESA-N 384.435 0.961 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)C(=O)NC[C@H]3CCCO3)CC2=O)cc1 35877030 ZVLMXTDFRSMHLB-CKEIUWERSA-N 389.452 0.848 0 40 GCAB COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 38828129 JLPDNDVHOCXYGV-LLVKDONJSA-N 399.407 0.680 0 40 GCAB O=C(NCCCn1ncccc1=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655772 WVDDJKLWJDDFDZ-UHFFFAOYSA-N 376.363 0.800 0 40 GCAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@H]1CCCO1 72326020 RUFBLEWFMGHEES-VLIAUNLRSA-N 387.436 0.813 0 40 GCAB Nc1nc(N)c2c(n1)O[C@]1(COCCN(C(=O)c3ccccc3C(=O)O)C1)C2 257281598 OQBMQSYSWFWXHK-GOSISDBHSA-N 385.380 0.186 0 40 GCAB COc1cccc([C@H](CC(=O)O)NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 532257849 PXCKDZPRIGCDIB-HNNXBMFYSA-N 384.454 0.999 0 40 GCAB O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1 604381931 VTXUZORLHOLIKV-MRXNPFEDSA-N 385.443 0.960 0 40 GCAB biogenic,in-vitro Cn1c(O)ncc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1=O 1888913322 MFWQXMSKBWHQGB-BETUJISGSA-N 394.435 0.581 0 40 GCAB COc1ccc(C(=O)NC(=S)NC[C@@H](O)COC[C@@H]2COC(C)(C)O2)cc1 4791158 HYBWPICGMPEYOI-UKRRQHHQSA-N 398.481 0.829 0 40 GCAB Cn1c(=O)c2c(SCC(N)=O)nc(-c3cccc(F)c3)nc2n(C)c1=O 5056582 RHKMPRQHRXNNEH-UHFFFAOYSA-N 375.385 0.411 0 40 GCAB Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)NC(N)=O)nn1-c1ccc(Cl)cc1 6948069 LRPXYFIDNVRYJA-SECBINFHSA-N 378.772 0.935 0 40 GCAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC)cc1 7262461 LIMUKDHNJIMYET-AWEZNQCLSA-N 393.465 0.854 0 40 GCAB CN1CC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O 9578534 HVOHVJGXKMCXOM-CQSZACIVSA-N 379.438 0.096 0 40 GCAB CCNC(=S)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 10339327 YRGYKQZJIZLOOO-INIZCTEOSA-N 389.525 0.420 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13591739 QVYSYXNAPWSMPT-UEKNLZFZSA-N 375.400 0.727 0 40 GCAB COc1ccc(-c2nnc3ccc(OCCNS(C)(=O)=O)nn23)cc1OC 13951788 FJMICPUVKDUOCJ-UHFFFAOYSA-N 393.425 0.737 0 40 GCAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 17638160 JXBFESOIYKSGNR-NSHDSACASA-N 380.875 0.312 0 40 GCAB COCCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19218831 LUJGRVQYPXCCKF-IBGZPJMESA-N 375.425 0.589 0 40 GCAB CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)c1ccccc1 23115268 CLMCESGCRNZTPY-AWEZNQCLSA-N 386.456 0.141 0 40 GCAB COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2CC2CC2)N1C 35442344 ZPLJINUZZIYZDT-XFKSJGNHSA-N 392.544 0.687 0 40 GCAB biogenic,in-vitro COC(=O)c1cnc(NC[C@@H]2CCOC2)c(S(=O)(=O)N2CCOCC2)c1 48288683 WLOHDRIUTVJXPW-LBPRGKRZSA-N 385.442 0.338 0 40 GCAB CN(CC(=O)N1CCC[C@@H]1CO)S(=O)(=O)c1ccc2c(c1)OCCCO2 95443621 VYMHRDSYUDZJKL-CYBMUJFWSA-N 384.454 0.452 0 40 GCAB CN1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 113958672 XMYFUUAGLPABDN-UHFFFAOYSA-N 381.498 0.673 0 40 GCAB Cc1ncn(CC(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c(=O)c1C 225782754 BNYNGNDJWGAXPD-UHFFFAOYSA-N 383.383 0.592 0 40 GCAB COCCN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1cccc(C)c1 257278043 OANCJMCCQNRONL-QUCCMNQESA-N 389.496 0.979 0 40 GCAB Cn1cc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(=O)n(C)c1=O 535783892 GAAFEJDEANRKBI-UHFFFAOYSA-N 396.451 0.452 0 40 GCAB CC(=O)NCCN(c1ncnc2c1ncn2C[C@]1(O)CCO[C@H]1C)C(C)C 1614994993 RPVKEAPCKBQSPI-SCLBCKFNSA-N 376.461 0.717 0 40 GCAB C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@]12CCN(Cc1cccnc1)C2=O 2055704331 MQKCBYWJDNUPKE-RDTXWAMCSA-N 389.481 0.874 0 40 GCAB CCc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138922 LLIFFYOBOMADLZ-UHFFFAOYSA-N 399.476 0.998 0 40 GCAB O=C(COc1cccc(I)c1)N[C@H]1CCS(=O)(=O)C1 5452936 ASHKXCMBKHPQCW-JTQLQIEISA-N 395.218 0.973 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 7974208 WQGXRPVSOJJQPX-UHFFFAOYSA-N 389.389 0.804 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)NC(C)C)C2)cc1 8168443 PSYDILSOGFGUTE-CQSZACIVSA-N 397.497 0.737 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnnn1C1CC1)n2C 8777522 NGXAXYHMWZPMPO-UHFFFAOYSA-N 376.446 0.837 0 40 GCAB Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[nH]c1=O 9440952 PNDZSXHXDSZWRE-UHFFFAOYSA-N 383.455 0.454 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)cc1 11192134 ZUNFJYGHEHPVDB-LLVKDONJSA-N 384.458 0.021 0 40 GCAB C[C@H]1Oc2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2NC1=O 12508395 ZXKZLCIUBOQEQS-SECBINFHSA-N 397.434 0.854 0 40 GCAB CN(Cc1ccccc1Cl)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12551547 OKLIPHCQZIDQOB-UHFFFAOYSA-N 375.816 0.746 0 40 GCAB COC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 12623410 OOMLPILIFBORJR-SECBINFHSA-N 393.259 0.795 0 40 GCAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(C)CC3)N2)cc1 20059531 YLRRDBXXYBRWHW-OAHLLOKOSA-N 387.440 0.294 0 40 GCAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cc(S(N)(=O)=O)c1C 21977748 IOBYABDOBLDDIB-SNVBAGLBSA-N 383.426 0.484 0 40 GCAB Cn1nc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)ccc1=O 22228499 RVHPANXZGSSPDQ-UHFFFAOYSA-N 386.437 0.850 0 40 GCAB Cn1c(N)c(C(=O)CN2CCCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O 23355004 YRMMZGLDQOXMSG-UHFFFAOYSA-N 385.468 0.057 0 40 GCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1 29198611 GBNYJAMWLGWJHB-CYBMUJFWSA-N 379.438 0.643 0 40 GCAB CCc1nc(C)c2c(C)c(C(=O)N3CCN(CC(=O)NC)C(=O)C3)sc2n1 72304592 IHDCHNLMJACUDI-UHFFFAOYSA-N 389.481 0.901 0 40 GCAB CC1(C)O[C@H]2[C@H](O1)[C@H](CO)O[C@H]2n1ccc(NC(=O)c2ccccc2)nc1=O 103032478 SEPUIXHISUZJQX-PWXKEOIMSA-N 387.392 0.905 0 40 GCAB COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222738950 PDPYBNPBFHBCSI-AWEZNQCLSA-N 385.486 0.058 0 40 GCAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O 247969893 UGEIRJRXKBCALD-HHNICDRHSA-N 399.447 0.908 0 40 GCAB Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCOCC1 408627017 XIVMDJCOFFAFFR-UHFFFAOYSA-N 397.497 0.078 0 40 GCAB C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709478 BETMIMYJKJGERE-GFCCVEGCSA-N 399.403 0.781 0 40 GCAB CS(=O)(=O)c1ccc(CN[C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)cc1 514289055 PJFPULCOMXEWPW-HRCADAONSA-N 390.452 0.649 0 40 GCAB biogenic,in-vitro Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)ccc1F 575616644 VLXKZTKHGDSLPW-UHFFFAOYSA-N 393.506 0.931 0 40 GCAB CC(=O)N1Cc2ccc(S(=O)(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)cc2C1 659928046 SQLFNHXJLKQJOD-DLBZAZTESA-N 377.466 0.980 0 40 GCAB Cc1noc(C)c1CN1CCN(C(=O)CCn2cnc3c(N)ncnc32)CC1 666428877 BPFDODCPDXJONT-UHFFFAOYSA-N 384.444 0.748 0 40 GCAB Cc1ccn(-c2ccc(N3CCN(CC(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)nn2)n1 2086886897 AOCBUAZDDOOCAC-IRXDYDNUSA-N 399.499 0.729 0 40 GCAB CCOC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C 3365710 NGXHLYJGXLUASL-AWEZNQCLSA-N 386.426 0.805 0 40 GCAB C[C@H]1OC(C)(C)O[C@H]1[C@@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1 4114229 PRBIBKGAXKRAAU-SUZMYJTESA-N 386.412 0.728 0 40 GCAB COCCCn1c(C)cn2c3c(=O)n(CCC(=O)OC)c(=O)n(C)c3nc12 4251097 XOFJJNRPRDMFKX-UHFFFAOYSA-N 377.401 0.057 0 40 GCAB CC1=NN(CC(=O)OCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147969 UWTFAIWAILAWFA-UHFFFAOYSA-N 396.407 0.373 0 40 GCAB NC(=O)c1ccsc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5204501 GDDHZSKFUUSMCP-SNVBAGLBSA-N 391.405 0.970 0 40 GCAB O=C(OCC(=O)N1CCCC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 6321670 ZHIWMLDZVSRTGI-UHFFFAOYSA-N 396.421 0.013 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Oc2ccccc2)c(=O)[nH]c1=O 8316052 VDWMFEZMABYODO-ZDUSSCGKSA-N 390.440 0.976 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c(=O)n(C)c1=O 8777131 HORCXOSZHRHYLH-UHFFFAOYSA-N 398.872 0.248 0 40 GCAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 9476760 UNJSJBAPZWGOOU-UHFFFAOYSA-N 398.375 0.669 0 40 GCAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029282 NRULJKMMZGRVGW-DZGCQCFKSA-N 387.479 0.556 0 40 GCAB CN1C(=O)[C@@H](CC(=O)NCCn2nnn(-c3cccs3)c2=O)c2ccccc21 19590997 QPKVEQXZORJCBK-ZDUSSCGKSA-N 398.448 0.757 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc(Cl)c1 20567903 OYEIOJPJKJJAJC-UHFFFAOYSA-N 375.878 0.554 0 40 GCAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 25167477 MBFVBUBODKKAQI-UHFFFAOYSA-N 383.470 0.673 0 40 GCAB NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 26535406 PDXSWBOUCDZHGD-UHFFFAOYSA-N 381.454 0.045 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375634 QVYSYXNAPWSMPT-ZCBXCUIVSA-N 375.400 0.727 0 40 GCAB Cn1cnc2c1c(=O)n(CCCSc1ncnc3c1cnn3C)c(=O)n2C 36397064 QACCCNQFBKMFFZ-UHFFFAOYSA-N 386.441 0.293 0 40 GCAB Cc1ccccc1-c1nnn(CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)n1 40020124 HRKDFJZWJJJBLH-MRXNPFEDSA-N 378.392 0.928 0 40 GCAB CN(CC(=O)OCC(=O)NC(=O)NCCc1cccs1)c1ncccn1 40072742 YXUWLUDQOFFEGJ-UHFFFAOYSA-N 377.426 0.586 0 40 GCAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCCN(C[C@@H]2CCCO2)CC1 48264975 MEOAQPLDKBMEMZ-ZDUSSCGKSA-N 386.474 0.462 0 40 GCAB COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318350 LKIBMBPWBKUTAD-GOSISDBHSA-N 386.452 0.940 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)NC2CCN([C@@H]3CCOC3=O)CC2)c1C 95455703 COCGRSQSPQWQAA-OAHLLOKOSA-N 396.465 0.840 0 40 GCAB Cc1nc2ncc3c(=O)n(CC(=O)NCCc4ccc(O)cc4)ccc3n2n1 95479903 KQQCMBFNINNKIW-UHFFFAOYSA-N 378.392 0.812 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)C[C@@]2(CNC(=O)C2)C1 96143305 RSMAPOZIKCZXDV-MRXNPFEDSA-N 385.873 0.564 0 40 GCAB CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@@H](C(=O)O)CO[C@@H]12 253388179 RQVIOHJGPCAFPM-BCXHRCINSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro O=C(NCC(=O)N1CCC(N2C(=O)COC2=O)CC1)OCc1ccccc1 253405957 UABGUPVKLZDPPL-UHFFFAOYSA-N 375.381 0.883 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)C[C@H]2O)c(O)nc1=O 257209026 BOQXLNQMDATMOQ-HZPDHXFCSA-N 383.408 0.360 0 40 GCAB Cn1ccc(CC(=O)N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)n1 585109164 YRHYSSSCIWLUDF-CGTJXYLNSA-N 383.452 0.680 0 40 GCAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)NCc2ncnn2-c2ccccc2)C1 644484881 HTBNOOVTBGZHCY-IBGZPJMESA-N 386.456 0.782 0 40 GCAB CN(C)c1n[nH]c(C2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)n1 673444386 XGMDTWPURHXIOT-UHFFFAOYSA-N 398.471 0.222 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(F)cc3nc[nH]c23)CCO1 681942504 LSMVAIIGGQBTQR-GFCCVEGCSA-N 378.360 0.476 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2ccc(-c3ccccn3)nc2)NC(=O)NC1=O 1616034884 CVLQHVUYABVVNW-IBGZPJMESA-N 391.391 0.342 0 40 GCAB Cc1cc(N2C[C@@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)ncn1 1889552655 QLSPFFQHELUDGM-HZPDHXFCSA-N 393.513 0.351 0 40 GCAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)N(C)C 4853505 ADOIVLJRENXUQA-UHFFFAOYSA-N 385.373 0.734 0 40 GCAB CC(=O)N[C@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@@H]1O 4906371 CIHDSPCYFDFWRF-JARUQAPTSA-N 380.224 0.454 0 40 GCAB COc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)NN2C(C)=O)cc1O 5450714 MYTUIXYZGQYLFP-LBPRGKRZSA-N 388.380 0.503 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@@H](O)[C@@H]1O 8643334 YSMQYFAZRNAJBR-XOSAIJSUSA-N 383.420 0.029 0 40 GCAB biogenic,in-vitro CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 8939979 NVMSUDXNYBHZKV-UHFFFAOYSA-N 377.353 0.571 0 40 GCAB COc1ccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)cc1OC 8945927 NATRAAKZDQLUFC-UHFFFAOYSA-N 391.405 0.992 0 40 GCAB CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CC(=O)OCC)n(C)c1=O 10386981 LYRFSAYJWQYABP-NSHDSACASA-N 376.417 0.627 0 40 GCAB O=S1(=O)CC[C@@H](N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 12972942 IEEVLLCDHQYPSD-SNVBAGLBSA-N 390.391 0.452 0 40 GCAB CC(=O)Nc1ccc(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)cn1 17379453 UUBFNFFHSLNZAI-GYSYKLTISA-N 378.410 0.285 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@]2(NC(C)=O)CN(C)C[C@H]2C1 19712996 ONWOBMKKJJQQQG-SUMWQHHRSA-N 385.461 0.665 0 40 GCAB CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2=O)no1 21365171 FGKDMDHBGBRHOH-UHFFFAOYSA-N 377.744 0.745 0 40 GCAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 27565697 IBFNQIHWARKAFP-HNNXBMFYSA-N 382.486 0.428 0 40 GCAB CC(=O)O[C@H]1CO[C@@H](n2ncc(=S)nc2O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 35242178 NZFFGFFXGOVKBU-WKSBVSIWSA-N 387.370 0.037 0 40 GCAB Cc1cc(NC(=O)C2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)no1 49027030 VFVKRVYTWXVWOZ-UHFFFAOYSA-N 375.385 0.100 0 40 GCAB NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 78904132 CPIHZZZGEXALGN-KGLIPLIRSA-N 387.483 0.060 0 40 GCAB CCN(CC)CCN(C(=O)c1cccc(C(=O)OC)n1)[C@@H]1CCS(=O)(=O)C1 89968980 LHXHQINAZSLWPR-CQSZACIVSA-N 397.497 0.839 0 40 GCAB Cc1cc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)no1 102617769 WKTICRXQEWRBTH-TZHPCZLDSA-N 375.381 0.884 0 40 GCAB COC(=O)C1(C(=O)OC)O[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 104243338 BABFQGSVMPHVNB-AVGNSLFASA-N 377.349 0.082 0 40 GCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]21 247496687 DFQJTVUVPHKTQW-KZNAEPCWSA-N 378.494 0.814 0 40 GCAB Cn1c(=O)c2cc(C(=O)NCC3(O)CCC(F)(F)CC3)sc2n(C)c1=O 620331170 PSBSENUCLUEVEB-UHFFFAOYSA-N 387.408 0.969 0 40 GCAB CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2nc(C)nc(N(C)C)n2)C1 1615612426 YFQOHUCRCNCDRC-SWLSCSKDSA-N 377.493 0.954 0 40 GCAB Cc1cc(O)nc2cc(C(=O)NC[C@]3(c4nccn4C)NC(=O)NC3=O)ccc12 1616034902 DCACQNXHYGCETB-LJQANCHMSA-N 394.391 0.447 0 40 GCAB CCS(=O)(=O)Nc1ccccc1C(=O)NCc1nnc2n1CCN(C)C2=O 1644777123 BISLMVZDMLQLKC-UHFFFAOYSA-N 392.441 0.055 0 40 GCAB COCCn1nccc1C(=O)N1CC[C@H]2C[C@H](CN3CCCOCC3)O[C@H]2C1 2056225300 JONGUIFMEYSPSQ-SCTDSRPQSA-N 392.500 0.871 0 40 GCAB COCC(=O)N[C@H]1CCN2C(=O)N(c3cccc4nsnc34)C(=O)[C@@H]2C1 3840277 OHBMVBQOJDKRQL-CABZTGNLSA-N 375.410 0.754 0 40 GCAB biogenic,in-vitro O=C(O)CNC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1 4027612 ZDLZKMDMBBMJLI-ROJDOSBLSA-N 399.403 0.337 0 40 GCAB CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1C 4357528 ITSKRTJONRLOEA-CQSZACIVSA-N 387.433 0.124 0 40 GCAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ccc2nnnn2n1 8766893 OAYKEDCBAOFIPJ-LBPRGKRZSA-N 376.446 0.329 0 40 GCAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)no1 9525876 WDWNLTHJLCNUQE-ZDUSSCGKSA-N 386.364 0.658 0 40 GCAB COC[C@@H](C)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1 9794686 AVUJVNFDHKZRMA-MYSGNRETSA-N 384.454 0.579 0 40 GCAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12774690 HIEJDUVSMVHHOD-UHFFFAOYSA-N 376.438 0.338 0 40 GCAB Cn1nc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1=O 12849525 SWFVAOFRXJNECY-UHFFFAOYSA-N 384.392 1.000 0 40 GCAB O=C(Cn1cncn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 15076594 UJRGVRFPPRXBEW-QZTJIDSGSA-N 388.447 0.201 0 40 GCAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034102 IRPYICWEKOXUOT-NVYWPVHDSA-N 375.400 0.725 0 40 GCAB O=C1N[C@@H]2NC(=O)N(CCC(=O)N3CCC(Oc4ccccc4F)CC3)[C@H]2N1 19350120 XIHKNPBTLGYGON-HZPDHXFCSA-N 391.403 0.576 0 40 GCAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(CCO)CC2)c1 59233564 HUPIJDVOLZLNOF-UHFFFAOYSA-N 381.454 0.567 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 69115009 PEOCJOGIYRTCFF-UHFFFAOYSA-N 384.483 0.505 0 40 GCAB O=C(NCC1(O)CCOCC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 70639049 IPVIIKLSXMGWQA-UHFFFAOYSA-N 387.436 0.508 0 40 GCAB CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321532 BIKLOKJBXPHIOP-NVXWUHKLSA-N 384.454 0.498 0 40 GCAB biogenic,in-vitro NC(=O)[C@H]1CC(C(=O)NC2CCN([C@@H]3CCOC3)CC2)=NN1c1ccccc1 79110223 BXQFXGRBQWEUEZ-SJLPKXTDSA-N 385.468 0.476 0 40 GCAB C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 95831480 HRSGCYGUWHGOPY-CYVOKCENSA-N 397.468 0.305 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CCCc2nnc3ccc(Cl)nn23)CC1 96231825 SGFIEMFFBISBQR-UHFFFAOYSA-N 386.865 0.204 0 40 GCAB COCCNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223386521 CXUZLYMXUODEJN-UHFFFAOYSA-N 378.454 0.982 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cn(C)cn2)C3)n1 306123849 AYKQHXTTYFYWBK-CYBMUJFWSA-N 391.453 0.227 0 40 GCAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 575414438 HHVHSKBBJJOWMG-CABCVRRESA-N 391.435 0.872 0 40 GCAB CNC(=O)/C=C/CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 669777295 JFXQATCGRVTFEW-VFQAQYNWSA-N 379.482 0.814 0 40 GCAB NC(=O)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 3367047 CWDMRVOWHYSMHB-UHFFFAOYSA-N 395.371 0.877 0 40 GCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 4535676 FPPNZSSZRUTDAP-DYNIEEOBSA-N 378.406 0.487 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c(=O)n(C)c1=O 5836071 JONKJHFABNGPKV-UHFFFAOYSA-N 387.179 0.408 0 40 GCAB CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C(=O)NCCOC)n1 6490189 LNYYHMZZCUWPJN-WVWOOGAGSA-N 378.429 0.965 0 40 GCAB CCOC(=O)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11665872 PQAFCIXJJCBABI-UHFFFAOYSA-N 399.386 0.561 0 40 GCAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)NC(=O)NC1CC1 12477912 OGVJYGSRHSTZAC-SECBINFHSA-N 387.389 0.024 0 40 GCAB COC(=O)C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 12877295 DPIDHLCVOPKZMY-HNNXBMFYSA-N 389.433 0.905 0 40 GCAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 18099127 SUJOHYAYVRPHKU-FQEVSTJZSA-N 397.435 0.992 0 40 GCAB O=C1NC[C@@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Oc2ccccc21 19374702 SHFQVZDQHYFVHV-FQEVSTJZSA-N 387.436 0.419 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCNC3=O)CC2)c1 36491417 VSDNQOVCCMQLBA-UHFFFAOYSA-N 380.470 0.162 0 40 GCAB Nc1c(C(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c(=O)n1C1CC1 40086071 LUSIFCMEHHOLAI-OAHLLOKOSA-N 388.399 0.849 0 40 GCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 40266564 KOVQCZPDQJFTBP-INIZCTEOSA-N 394.497 0.766 0 40 GCAB C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 55811363 LSYLKTMJSGEZQK-UONOGXRCSA-N 387.436 0.938 0 40 GCAB CCNC(=S)N1CCN(CCNC(=O)C(=O)Nc2ccc(CC)cc2)CC1 59483683 GIGJQLKABQQEIW-UHFFFAOYSA-N 391.541 0.816 0 40 GCAB COCCN1[C@H]2CCN(C(=O)COC)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145797 XAEMGGZUXPZSHZ-GJZGRUSLSA-N 398.481 0.722 0 40 GCAB O=C(Cn1cnc2ncccc2c1=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575620529 RXDPDLBXCAYYGH-UHFFFAOYSA-N 391.435 0.419 0 40 GCAB CN1C(=O)NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@H]32)C1=O 2206602 OVKWEUHSOOQLRA-RBZFPXEDSA-N 395.419 0.694 0 40 GCAB Cc1nn(C)cc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806628 TYYPTJNWNOOQKK-ZDUSSCGKSA-N 380.474 0.179 0 40 GCAB CCN1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 7960817 FYZULUYKDIKNIV-MRXNPFEDSA-N 396.513 0.866 0 40 GCAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2cnccn2)CC1 11545136 IAECUNPGACMWER-UHFFFAOYSA-N 381.444 0.395 0 40 GCAB Cn1c(=O)c2cc(C(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c2n(C)c1=O 11845096 CJJNFXJULFHPLU-HNNXBMFYSA-N 396.447 0.996 0 40 GCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccncc1 11905955 WRFPOLVJJQNREN-UHFFFAOYSA-N 395.462 0.935 0 40 GCAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC1)CNC2=O 12226097 PPFSGVWCPJKYBI-ZDUSSCGKSA-N 387.436 0.657 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024876 IXUGXRFAPZBLMB-MDOODBKZSA-N 375.400 0.725 0 40 GCAB Cn1c(SCC(N)=O)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17080884 VQSKKKJMYIWLCF-GFCCVEGCSA-N 395.510 0.961 0 40 GCAB CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)CC1=O 19526958 WPWJYZMTMINMKN-PBHICJAKSA-N 385.468 0.913 0 40 GCAB COCCNC(=O)[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccnc(N2CCCC2)n1 19593501 SVQTWQIPVFAAJN-HZPDHXFCSA-N 387.484 0.791 0 40 GCAB Cc1cc(C)c(CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c(=O)[nH]1 30568338 KINYLPIGIRICPM-MRXNPFEDSA-N 385.399 0.867 0 40 GCAB COC(=O)[C@@H](C)NC(=O)CSCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 36569262 FLRADAQWSYZXBG-SECBINFHSA-N 395.437 0.851 0 40 GCAB CN(CCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 40063370 JGXAPRBQQRBBHC-UHFFFAOYSA-N 381.436 0.889 0 40 GCAB CS(=O)(=O)c1ccc2nc(N3CCN(S(C)(=O)=O)CC3)sc2c1 56906084 HFWGSEIIWOHRNC-UHFFFAOYSA-N 375.497 0.781 0 40 GCAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(OC)c1 58305486 KUOZWAKYWLKMBN-CQSZACIVSA-N 377.441 0.823 0 40 GCAB CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2)C[C@]12COc1ccccc1C(=O)N2 72334300 FYMZLZQZNDSVDJ-AVYPCKFXSA-N 387.436 0.321 0 40 GCAB COC[C@H](O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 89340114 HAZOCRYWYRKUBJ-CYBMUJFWSA-N 392.499 0.099 0 40 GCAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N3CCOCC3)CC2)O1 96243682 TVXPAFIDMITGGZ-OAHLLOKOSA-N 391.472 0.550 0 40 GCAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 102329467 NQCSGJKNBZCZRS-LAQRGFTBSA-N 386.404 0.714 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)o1 102792538 FPXKKFVQCQYYEA-UHFFFAOYSA-N 384.502 0.287 0 40 GCAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 253400281 LABNATMBMBEHHE-HNNXBMFYSA-N 381.498 0.632 0 40 GCAB biogenic,in-vitro COc1ccc(CN2CCN(C3=NO[C@@H]4CN(S(C)(=O)=O)C[C@@H]34)CC2)cc1 306139793 UAUZORUDDGRWBU-IAGOWNOFSA-N 394.497 0.417 0 40 GCAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCN(c2nccn3cnnc23)C1 575414566 KPNPUKHAJKGTSW-LBPRGKRZSA-N 379.380 0.427 0 40 GCAB CN(C(=O)CSc1nnc(-c2cccc(F)c2)n1N)[C@@H]1CCS(=O)(=O)C1 3451557 LAOMQGIBAAJDRX-GFCCVEGCSA-N 399.473 0.536 0 40 GCAB COc1ccc2c(C)c(CCC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c(=O)oc2c1 8764425 OCDADJYOELRIFF-HUUCEWRRSA-N 395.433 0.317 0 40 GCAB biogenic COCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c(c1=O)SCC2 16837362 LLQMTOHBOQBPBC-LLVKDONJSA-N 385.511 0.925 0 40 GCAB CCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 19498786 KRVOOYDQMNMLMY-ZDUSSCGKSA-N 383.474 0.008 0 40 GCAB CN1CCC2(CC1)CN(CC(=O)N1CCC[C@H](O)C1)C(=O)c1ccccc1O2 19588375 ONFKETPXWFNXMA-INIZCTEOSA-N 387.480 0.969 0 40 GCAB NC(=O)C1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 32385138 VXUBGLCDPRZBSY-UHFFFAOYSA-N 393.241 0.883 0 40 GCAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 58191781 ASKSWYNKEPHYEH-UHFFFAOYSA-N 377.397 0.362 0 40 GCAB Cn1ncnc1COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 95431248 QOPGAGIBMNQJTF-UHFFFAOYSA-N 379.442 0.280 0 40 GCAB CNC(=O)CNC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257274865 NMYBQDJJPCQXOA-ONTIZHBOSA-N 388.556 0.811 0 40 GCAB CN1CCCN(C(=O)c2cn3c(nc2=O)[C@@]2(CCN(C(=O)C4CC4)C2)CC3)CC1 306126282 DROUVMJIVQMXMY-OAQYLSRUSA-N 399.495 0.305 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1C 575422020 LTJPJKXMZORMJI-KBPBESRZSA-N 376.500 0.237 0 40 GCAB Cn1ccnc1[C@]1(CNC(=O)c2ccc(-c3ccccc3)nc2)NC(=O)NC1=O 1616035250 XEVITWRHEIEZEL-FQEVSTJZSA-N 390.403 0.947 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(c5ncncc5F)C[C@@H]4C3)ncnc21 1888906689 NOTRGXMCQQGLSB-CHWSQXEVSA-N 384.419 0.974 0 40 GCAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2ccncc2)CCO3)nc1 2056225607 SZPLRQCXJMHAEI-FXAWDEMLSA-N 383.452 0.856 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H](n2ccc(=S)nc2O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4877473 VOSWRYRYGCAHQU-DOERSZECSA-N 386.382 0.642 0 40 GCAB COCCOC(=O)c1c(NC(=O)CNC[C@H]2CCCO2)sc(C(N)=O)c1C 5825059 MVQBDPIQMJOOCB-LLVKDONJSA-N 399.469 0.666 0 40 GCAB O=C(CN1C(=O)c2ccccc2C1=O)[C@H](O)CN1C(=O)c2ccccc2C1=O 6576052 ZJZYQKKDHFXIAM-OAHLLOKOSA-N 378.340 0.509 0 40 GCAB in-vitro CN(C)C1(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 6935207 IILUSCKGWXUWMY-AWEZNQCLSA-N 398.529 0.533 0 40 GCAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccncc1)CS(=O)(=O)C2 10250683 HHMHDZKLFLSFJQ-UHFFFAOYSA-N 391.453 0.716 0 40 GCAB Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@](C)(O)[C@@]3(C)O)ccc12 12358925 VERJTZMTVXTWPT-AEEMCCEDSA-N 394.420 0.841 0 40 GCAB COCCN1C[C@H](C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)CC1=O 12367372 XXCYVMFGKZMHGO-QWHCGFSZSA-N 377.445 0.059 0 40 GCAB Cn1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 15324768 LAZOSYHRMOFOJQ-UHFFFAOYSA-N 378.237 0.869 0 40 GCAB Cc1ccc2nc(COCC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)[nH]c2c1 19662264 NVUIBLZDTPDIMJ-UHFFFAOYSA-N 385.424 0.931 0 40 GCAB COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCNCC2 19710650 SRUREDZKZXQLQL-CYBMUJFWSA-N 377.470 0.958 0 40 GCAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31604542 MYRAGDTUYZMJAP-QGZVFWFLSA-N 395.463 0.978 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 44227564 ROWNOICOOHBUBF-UHFFFAOYSA-N 378.447 0.633 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2nc3nccc(C)n3n2)NC(=O)N[C@@H]1CC 65625828 YJGFEHSHZXDXLB-SNVBAGLBSA-N 388.384 0.498 0 40 GCAB C[C@@H](O)CN(C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 95461851 JCKZLVYTYXUNAL-MRVPVSSYSA-N 392.275 0.641 0 40 GCAB COCCN1[C@@]2(CCN(S(=O)(=O)C3CC3)C2)c2ccccc2S1(=O)=O 96143046 DPWRGBVKKXASKA-MRXNPFEDSA-N 386.495 0.731 0 40 GCAB C[C@@]1(c2cccc(NS(=O)(=O)c3cnc4n3CCC4)c2)NC(=O)NC1=O 97165069 OKASWVLFQGVRGI-INIZCTEOSA-N 375.410 0.685 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 225516023 ZMTTVADOIJTTHN-VXXGZENSSA-N 390.480 0.182 0 40 GCAB biogenic,in-vitro CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1F 226743981 MBHMSRKCCTWICY-UHFFFAOYSA-N 381.385 0.850 0 40 GCAB C[C@@H](C(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2)N1CCCC1=O 253372356 FAQZSWPFSDQQNQ-ZQIUZPCESA-N 385.468 0.912 0 40 GCAB CN1CCN(S(=O)(=O)c2ccc(N(C)CCN(C)CC(F)F)nc2)CC1 509934669 MSJUXOYNCKMBBE-UHFFFAOYSA-N 391.488 0.651 0 40 GCAB CCn1cc(CN2C[C@H](C(=O)NC3CS(=O)(=O)C3)C3(CCOCC3)C2)cn1 585102020 ZDBIRLSVMUYGNC-MRXNPFEDSA-N 396.513 0.045 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565547456 JGLUKVCMCKLVAU-KBXCAEBGSA-N 375.404 0.689 0 40 GCAB CCn1nnnc1NCc1cc(Br)c(OCC(N)=O)c(OC)c1 8339876 PRLMYMATUAGOQL-UHFFFAOYSA-N 385.222 0.940 0 40 GCAB COC(=O)Cc1cc(=O)[nH]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 9420576 AVFQJDXSHVASKL-UHFFFAOYSA-N 386.408 0.536 0 40 GCAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219776 LDBMBXKEIBKNRW-UHFFFAOYSA-N 396.400 0.141 0 40 GCAB CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 12342559 ORPWHDPCKJWVIC-XQQFMLRXSA-N 384.477 0.517 0 40 GCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ncccc3O)c2)CCN1 12521555 AEVBGOGRDBEATJ-UHFFFAOYSA-N 376.394 0.160 0 40 GCAB Cc1cc(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)no1 12941010 KVMQYCIVECJAQM-NSHDSACASA-N 394.457 0.902 0 40 GCAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12972360 VXCGHHHNQLXEBE-UHFFFAOYSA-N 376.456 0.160 0 40 GCAB COCCNC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2OC)n1 21672768 RAHHAGOKNBCBLP-UHFFFAOYSA-N 375.433 0.400 0 40 GCAB Cn1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c(=O)n(C)c1=O 31075489 VHLCXTNHQNNEOD-UHFFFAOYSA-N 392.481 0.158 0 40 GCAB CC(C)OC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 32811130 JYSBFPUQQKMCCW-UHFFFAOYSA-N 378.472 0.557 0 40 GCAB COCCNC(=O)[C@@H](OC(=O)CN1C(=O)COc2ccccc21)c1cccnc1 35315691 KBHWPFAMWVSGEA-IBGZPJMESA-N 399.403 0.854 0 40 GCAB O=C(Cn1ncccc1=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 38499590 FGYUVQHLXXTHKJ-UHFFFAOYSA-N 391.391 0.543 0 40 GCAB CNC(=O)[C@@H](C)CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 72311393 SADSEEZCSZWSEG-VIFPVBQESA-N 381.907 0.863 0 40 GCAB Cn1c(=O)c2ccc(C(=O)NCCc3nc4c(s3)CCCC4)nc2n(C)c1=O 84310321 LWVJNCWYUVPQSF-UHFFFAOYSA-N 399.476 0.940 0 40 GCAB CCOC(=O)N1CCN(C(=O)COCc2nc(-c3cccnc3)no2)CC1 96182099 WRZSSBONOQZYQF-UHFFFAOYSA-N 375.385 0.949 0 40 GCAB COCCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1 257238637 HLWOBVOXYDMRTB-JYBIWHBTSA-N 378.469 0.545 0 40 GCAB CCn1c(C)nc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc21 257320871 VYYUEJCMYGYSNW-XFQXTVEOSA-N 399.495 0.808 0 40 GCAB CC(C)N1[C@H]2CN(Cc3cnn(C)c3)C[C@@H]2N(C)c2ncccc2S1(=O)=O 306135378 OPJHQJLESGUQBX-HOTGVXAUSA-N 390.513 0.917 0 40 GCAB O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccc2nc(O)nc(O)c2c1 681821259 TUUACOKPKMBESS-SNVBAGLBSA-N 375.410 0.778 0 40 GCAB COCCN1C(=O)[C@H]2CN(Cc3cnc4ccccn34)CCN2C12CCOCC2 1772595193 BCMQWADDQOEYCH-GOSISDBHSA-N 399.495 0.816 0 40 GCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccnc2Cl)c(=O)n(C)c1=O 2630006 CWSWPVQLTAINBX-UHFFFAOYSA-N 394.815 0.873 0 40 GCAB COC(=O)[C@@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(F)cc1 3128688 UXTIOQYFBROIQT-GFCCVEGCSA-N 378.447 0.515 0 40 GCAB Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1N 3442873 HPIFMZHTAPNKNT-UHFFFAOYSA-N 396.498 0.816 0 40 GCAB O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 8586218 CNMCFXDTJZNDME-GXCBOPRBSA-N 390.421 0.023 0 40 GCAB biogenic C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12516132 RUIZEDNNGPMXET-GMXVVIOVSA-N 381.454 0.852 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1cnnn1 12766392 HFQFUVFWUNCZNN-UHFFFAOYSA-N 394.457 0.885 0 40 GCAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15359740 NCTWIPFDKSDZOT-UHFFFAOYSA-N 389.437 0.090 0 40 GCAB COc1cc(C(=O)N2CCC(C(N)=O)CC2)c(N(C)S(C)(=O)=O)cc1OC 22251355 DAWMFOAOSNHJAQ-UHFFFAOYSA-N 399.469 0.437 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)nsc1N)[C@H]1CCS(=O)(=O)C1 25066782 FCQFTFNHZCQJPA-UWVGGRQHSA-N 375.472 0.615 0 40 GCAB Cn1nc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c2ccccc2c1=O 32885743 KBNHXYVRYDLTTD-AWEZNQCLSA-N 384.436 0.645 0 40 GCAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(CCO)CC1)C(=O)O 71283539 USUMGNNBKDHXHD-LBPRGKRZSA-N 399.469 0.174 0 40 GCAB CCN1CCn2c(nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)C1=O 98213021 WLTCIBMKYBLWEO-UHFFFAOYSA-N 375.385 0.176 0 40 GCAB COCCn1/c(=N\C(=O)CN(C)S(C)(=O)=O)sc2cccc(F)c21 100873783 RKALGEXRZHEOHZ-JQIJEIRASA-N 375.447 0.807 0 40 GCAB CC(C)c1nc(S(=O)(=O)NCCn2c(O)nc3ccsc3c2=O)cn1C 238828520 FIMNSUIGVWNCHZ-UHFFFAOYSA-N 397.482 0.999 0 40 GCAB COc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 408617794 JTUZWBWCHSODPU-AWEZNQCLSA-N 385.486 0.298 0 40 GCAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 644404210 CZZDXAHDPKIDJP-HNAYVOBHSA-N 392.504 0.404 0 40 GCAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 649254473 NAFSBFQNSYDCAQ-OCCSQVGLSA-N 399.473 0.344 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(C(=O)NCc4ccc(F)cc4)C[C@@H]3C2)cc1=O 1888869716 VDMAGQPXTYYYIP-KBPBESRZSA-N 387.415 0.903 0 40 GCAB Cn1c(O)ncc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)c1=O 1888913323 MFWQXMSKBWHQGB-CHWSQXEVSA-N 394.435 0.581 0 40 GCAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)CCS(C)(=O)=O)CC1 2055745684 UOPPDVSXRAMUSF-UHFFFAOYSA-N 385.461 0.780 0 40 GCAB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cnn1C 2732673 RJVWSVPYUVRXFO-CYBMUJFWSA-N 380.474 0.810 0 40 GCAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)NC(N)=O)sc(C(C)=O)c1C 3329405 HEKKGQGVMVNBGA-MRVPVSSYSA-N 399.425 0.974 0 40 GCAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)O)CC1 4073787 GHXVMLHPINVQPG-AWEZNQCLSA-N 385.461 0.975 0 40 GCAB biogenic CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@@H]3CCCO3)cc21 5442236 CGEFNQBVPZJKEJ-AWEZNQCLSA-N 381.454 0.633 0 40 GCAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(C)(=O)=O 6316678 GSYAOLCRYKLVLT-UHFFFAOYSA-N 391.515 0.925 0 40 GCAB CN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 7313580 YILWCGUMJIYBIX-UGSOOPFHSA-N 391.449 0.025 0 40 GCAB Cc1c(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cnn1C 9304635 WEKFFRVUXAPYHM-UHFFFAOYSA-N 385.424 0.456 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)NCc3ccncc3)CC2=O)cc1 31817523 KNMRQUOZSWPIFP-HNNXBMFYSA-N 382.420 0.876 0 40 GCAB CN1[C@@H](CCC(=O)N2CCN(c3ccccc3)CC2)CNC(=O)[C@H]2NCC[C@H]21 35442433 HBKDGWWNVGUOEM-NSHGMRRFSA-N 385.512 0.276 0 40 GCAB biogenic,in-vitro O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 36047381 PGYHHLNKTGLNSE-LVYXFOGZSA-N 380.448 0.647 0 40 GCAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1O 36367119 PRNDQJGOQYIXJB-WPRPVWTQSA-N 375.834 0.859 0 40 GCAB C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 40106265 ZIFXOQPQWALUKQ-GFCCVEGCSA-N 385.486 0.084 0 40 GCAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 57463385 GWUULTWNCQTFRE-RHSMWYFYSA-N 383.489 0.982 0 40 GCAB COc1cc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1C 58326072 MRELFKIUSYGTLP-KRWDZBQOSA-N 375.469 0.801 0 40 GCAB CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc23)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 62725327 BLLDREJCXJOWEZ-OMZCGLGVSA-N 389.404 0.733 0 40 GCAB CN(Cc1nnc2ccccn12)c1ccc(S(C)(=O)=O)cc1S(N)(=O)=O 78808657 BQVNDJZRVVSYHZ-UHFFFAOYSA-N 395.466 0.417 0 40 GCAB Cc1cccc(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 89686727 ADYUBONYGOAMHE-UHFFFAOYSA-N 399.407 0.232 0 40 GCAB CCn1cc(CN2C[C@@H](C(=O)NC3CS(=O)(=O)C3)C3(CCOCC3)C2)cn1 585102019 ZDBIRLSVMUYGNC-INIZCTEOSA-N 396.513 0.045 0 40 GCAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)n3cnc4c(N)ncnc43)[C@H](C)C2)n[nH]1 616192609 MFFIQJGZRGZJLB-VXGBXAGGSA-N 397.443 0.374 0 40 GCAB CCC(=O)N1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 5207869 UALPWCWDCOPVED-HNNXBMFYSA-N 399.451 0.289 0 40 GCAB COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1 9827641 PJGZHYSXEJALJO-UHFFFAOYSA-N 378.410 0.378 0 40 GCAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)CN4C(=O)CCC4=O)C3)cc2n1 12134659 FNXXIENAGQFCIE-LBPRGKRZSA-N 385.424 0.852 0 40 GCAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 12588186 RDJYHJLXCCWJFF-CABCVRRESA-N 383.489 0.982 0 40 GCAB CN(c1ccccc1C(=O)NCc1ccc(-n2cncn2)nc1)S(C)(=O)=O 46988282 VTTMRGAPEPKIKG-UHFFFAOYSA-N 386.437 0.988 0 40 GCAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 57463392 GWUULTWNCQTFRE-PBHICJAKSA-N 383.489 0.982 0 40 GCAB Cn1nc([C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n(-c2ccccc2)c1=O 77149688 KAYJXBBGBSEWOE-AWEZNQCLSA-N 397.435 0.426 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(O)(C(=O)OC)CC2)c1 95455965 XZGRLAVAQIQCOS-UHFFFAOYSA-N 398.481 0.857 0 40 GCAB CN(CC(=O)N1CCC[C@@H](c2n[nH]c3ncccc23)C1)[C@H]1CCS(=O)(=O)C1 248027618 SKXUAUCCUFVPRD-KGLIPLIRSA-N 391.497 0.783 0 40 GCAB Cn1nnnc1SCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390826678 OMCSPILQYJCHLV-CYBMUJFWSA-N 399.473 0.830 0 40 GCAB COCCn1ccc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@H]2C)n1 585096880 BVEURCAMUNTFSD-OAHLLOKOSA-N 398.467 0.884 0 40 GCAB Cn1ccnc1[C@@]1(CNS(=O)(=O)c2cc3ccccc3o2)NC(=O)NC1=O 1615588625 RSMJTTSWDVJQSD-MRXNPFEDSA-N 389.393 0.180 0 40 GCAB COCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@@H](C)C2 4107990 NSMCZBJVNNBBBL-NSHDSACASA-N 385.511 0.877 0 40 GCAB C[C@@H](O)CNC(=O)CSc1nc2ccccc2n1CC(=O)NC[C@@H](C)O 5387146 RRKZMYXJSCTDTM-VXGBXAGGSA-N 380.470 0.122 0 40 GCAB Cn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1ccncc1 8896324 ABYMNFFRKVLQSE-UHFFFAOYSA-N 399.436 0.619 0 40 GCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10233503 JREPPHGHYODFJR-GFCCVEGCSA-N 380.408 0.552 0 40 GCAB Cc1ccc(OC[C@@H](O)Cn2c(NC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 12232254 YYBBHKJXGLXMCX-ZDUSSCGKSA-N 387.440 0.992 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1 13858188 PPYJNLRLGGEEAX-UHFFFAOYSA-N 375.878 0.743 0 40 GCAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1F 16799797 YMYNAHXVRBMMJJ-JTQLQIEISA-N 389.405 0.270 0 40 GCAB CN1CCN(CC(C)(C)CN2CCN(c3ncc4c(n3)CCOC4)CC2)CC1 23093268 OSCJPJONPNGLFN-UHFFFAOYSA-N 388.560 0.945 0 40 GCAB Cc1ccc([C@H](CNC(=O)Cn2nnc3ccccc3c2=O)N2CCOCC2)o1 25399304 SQQUEYTWHWFAFT-KRWDZBQOSA-N 397.435 0.883 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCOCC1 36384134 IDIIZWOXEJBCCW-UHFFFAOYSA-N 393.509 0.340 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 40081088 MTJSQPAGVMJCGZ-HUUCEWRRSA-N 399.488 0.866 0 40 GCAB CCCS(=O)(=O)N1CCN(CCNC(=O)COc2ccccc2F)CC1 72243070 CQKVSKKXUDWTBV-UHFFFAOYSA-N 387.477 0.678 0 40 GCAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccccn2)CC1 95941274 NHPSDTHLTVXMEL-OAHLLOKOSA-N 375.473 0.639 0 40 GCAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1ccc2nnnn2c1 96115364 OCZVNIMXEASRPG-AWEZNQCLSA-N 377.364 0.933 0 40 GCAB biogenic O=C1CN([C@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@@H]1CCS(=O)(=O)C1 217342244 ZKEJCZHFVAOYCE-QWHCGFSZSA-N 384.479 0.214 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cnccn3)C2)cc1 225478541 DPOQYESTHIXODQ-CQSZACIVSA-N 392.437 0.573 0 40 GCAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 409201635 WXHMJJWZBLKUEL-ZDUSSCGKSA-N 397.497 0.866 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 1565522798 QWKQQARQVAEIQV-AWEZNQCLSA-N 383.470 0.036 0 40 GCAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cnc(O)n(C)c2=O)C3)nc1 1888853781 OYIUGOBPNNTLDG-ORAYPTAESA-N 385.424 0.906 0 40 GCAB O=C(CN1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@@H]1CCCO1 2087065430 GPJXKJYFAQJERA-UONOGXRCSA-N 375.416 0.240 0 40 GCAB COc1ccc(S(=O)(=O)N2CC(c3nnc4ccccn34)C2)cc1C(N)=O 2298248736 CNPUKCIKHPTNQX-UHFFFAOYSA-N 387.421 0.625 0 40 GCAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 851191 MPWLVKLYSAQSJO-QWHCGFSZSA-N 380.422 0.965 0 40 GCAB Cc1ccc(OC[C@H](O)Cn2c(N(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 2449895 YLEISUIPRWLSKU-CYBMUJFWSA-N 387.440 0.248 0 40 GCAB Cc1cc(C)n2nc(SCC(=O)NCCN3C(=O)CSC3=O)nc2n1 3357559 QOAZNRACEWAEST-UHFFFAOYSA-N 380.455 0.645 0 40 GCAB C[C@@H](NC[C@@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6840415 WALBIVLZDGPIAT-ZBFHGGJFSA-N 397.497 0.803 0 40 GCAB COC(=O)CCC(=O)Nc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)OC 8306781 OKEPPROSEPUPLY-ZDUSSCGKSA-N 398.437 0.904 0 40 GCAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NC1CC1 9184278 IRTZBOLNGQAVSV-AWEZNQCLSA-N 379.482 0.872 0 40 GCAB CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCCC2=O)ccc1Cl 11109390 DEYPEEJFUJPKDC-UHFFFAOYSA-N 388.829 0.896 0 40 GCAB O=C(NCCn1nnn(-c2ccccc2)c1=O)c1n[nH]c(=O)c2ccccc12 12145987 UYULCHTZPFBDIU-UHFFFAOYSA-N 377.364 0.096 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 12853544 WPUKWQFWFJDGED-OAHLLOKOSA-N 376.390 0.915 0 40 GCAB CN(C)CCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 13671044 YKRUVXWUMYOFFX-UHFFFAOYSA-N 378.292 0.893 0 40 GCAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3)cc1 15106383 FPGULWFXLPXKQS-CJNGLKHVSA-N 375.450 0.975 0 40 GCAB CS(=O)(=O)N1CC[C@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 30944595 LPUABCXOVICTCS-QGZVFWFLSA-N 397.497 0.442 0 40 GCAB COCCn1nc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)ccc1=O 48310654 NVFFGFLWHCKEML-KRWDZBQOSA-N 384.436 0.983 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@]1(O)CCOc2ccccc21 77100012 WABDGRCIAIJMKF-HXUWFJFHSA-N 384.388 0.818 0 40 GCAB O=C(Nc1nnc(C2CCC2)s1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 94993081 TVWPLKMGQQQDSO-JTQLQIEISA-N 397.482 0.910 0 40 GCAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)C1 96000246 GDPXUCORSWXXMR-INIZCTEOSA-N 393.509 0.495 0 40 GCAB N=C(N)NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 101054846 GWGMPAPKEJIMBI-NWDGAFQWSA-N 382.829 0.880 0 40 GCAB CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O 253476003 FRTSLPFLUVGQPA-USYVTKNRSA-N 389.404 0.733 0 40 GCAB O=C(CCn1ccc(O)nc1=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575607294 ZDMXLXMYYRPZOH-LBPRGKRZSA-N 379.804 0.852 0 40 GCAB Cn1nc(C2CC2)nc1CN1CCN(Cc2nc(C3CC3)nn2C)CC(O)C1 576463803 YDPRUPLJCCEBMF-UHFFFAOYSA-N 386.504 0.377 0 40 GCAB Nc1ncnc2c1ncn2CCC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 611680432 KDSLRMRLMUJVAH-FQEVSTJZSA-N 395.467 0.552 0 40 GCAB O=C(c1csnn1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1565548587 FTFKTWNVWBJDNI-LRDDRELGSA-N 377.426 0.185 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCc3c(c(COc4ncccn4)nn3C)C2)c1 2055772971 DNDZODXIUQQWRH-UHFFFAOYSA-N 389.441 0.270 0 40 GCAB O=C(Nc1ccccc1F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243170 OUPXGTXRRVAAQC-LBPRGKRZSA-N 395.416 0.517 0 40 GCAB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cnn1C 2732672 RJVWSVPYUVRXFO-ZDUSSCGKSA-N 380.474 0.810 0 40 GCAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4745551 RHHNTCYTVQANIZ-NNIGNNQHSA-N 395.408 0.289 0 40 GCAB in-vitro COC(=O)c1ccc2c(=O)n(C[C@H](C)O)c(S[C@H]3CCOC3=O)nc2c1 6003375 QIMXIQWEOWLYRH-ZANVPECISA-N 378.406 0.972 0 40 GCAB CCOC(=O)[C@](NC(=O)c1ccccc1)(NN1CCN(C)CC1)C(F)(F)F 19168519 QXPWDHNTAKXOHI-INIZCTEOSA-N 388.390 0.990 0 40 GCAB CN(C)CCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 72389659 FUIXKLKMWDCHBX-FQEVSTJZSA-N 388.468 0.238 0 40 GCAB Cn1nc(N2CCC[C@H](C(=O)Nc3nc(CC(N)=O)cs3)C2)ccc1=O 77100979 URNKPLFCPRXBOK-JTQLQIEISA-N 376.442 0.120 0 40 GCAB Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(OC(F)F)c(N)c2)cn1 89756582 CECBNYOAEPKIGT-UHFFFAOYSA-N 390.368 0.739 0 40 GCAB Cc1nc(C(=O)NCc2nccc(N3CCOCC3)n2)cc(-n2cccn2)n1 224175251 NHYRMMGYAMWSHN-UHFFFAOYSA-N 380.412 0.527 0 40 GCAB CN(C)S(=O)(=O)N(C)CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 225960040 HGHNWMGYLFPIGR-UHFFFAOYSA-N 398.514 0.418 0 40 GCAB CC[C@H](C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1 257624738 XPFFFXIOYCKIEP-KYDZIWDDSA-N 396.392 0.233 0 40 GCAB biogenic,in-vitro CC[C@H](C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2o1 257624739 XPFFFXIOYCKIEP-NEMVWCKMSA-N 396.392 0.233 0 40 GCAB biogenic,in-vitro Cn1c(O)nc(N2CCN(C(=O)c3ccc(N4CCCCC4)nn3)CC2)cc1=O 1565522265 LYAYCIRHIOGTRI-UHFFFAOYSA-N 399.455 0.229 0 40 GCAB C[C@@H]1O[C@H](OC(=O)C2=C[C@]3(O)CC(C)(C)C[C@@]34[C@@H]2CC[C@H]4C)[C@H](O)[C@@H](O)[C@H]1O 1772591804 QEZOAVXNNSLPOZ-QVXFYADPSA-N 396.480 0.881 0 40 GCAB O=C(NCCO)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519200 YZJPQMHOQAGTNP-CQSZACIVSA-N 384.385 0.158 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H]2O[C@@](C)(OC(C)C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O 5440058 JCJBPCYHIVDESZ-WYJHLCISSA-N 390.385 0.652 0 40 GCAB COc1ccc(C(=O)NCC(=O)Nc2nc(CC(N)=O)cs2)cc1OC 14332138 YSALAZOLPCJWRN-UHFFFAOYSA-N 378.410 0.557 0 40 GCAB CC[C@@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 23055137 YRQLDTJACLECGK-OAHLLOKOSA-N 396.513 0.797 0 40 GCAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 24491038 LEILCPMBNKHQPQ-ZIAGYGMSSA-N 379.482 0.925 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccncc1 36359365 LJABVCINLCAKOL-SNPRPXQTSA-N 382.486 0.599 0 40 GCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)N1 46799782 KBERBPKUZSDDEU-UHFFFAOYSA-N 393.343 0.948 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ncccn2)CC1 58137596 YWKVHJREFYOAGN-ZDUSSCGKSA-N 390.469 0.273 0 40 GCAB COc1ccc2cnn(CC(=O)N[C@@H](CCSC)C(=O)O)c(=O)c2c1OC 61718785 YRUBKWJPSIDKAM-NSHDSACASA-N 395.437 0.736 0 40 GCAB CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 113942032 DWZAZRHDMLZUQY-UHFFFAOYSA-N 381.498 0.794 0 40 GCAB COc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCOCC2)c1=O 222675078 KDQOZZZKNGJMOX-UHFFFAOYSA-N 395.799 0.718 0 40 GCAB CCOC(=O)COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 408590376 GMAMUHBYODUNHL-UHFFFAOYSA-N 386.470 0.629 0 40 GCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C(=O)c1cccnc1)C2 514290164 UUSFSRGTHVQLSA-QZTJIDSGSA-N 393.447 0.262 0 40 GCAB biogenic,in-vitro CC(=O)NCCC(=O)N1CC2(CN(Cc3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514290443 ZWUHPSPJDMTGCB-RBUKOAKNSA-N 386.496 0.045 0 40 GCAB biogenic,in-vitro CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 575421080 HNFZVNVHSITITM-WDEREUQCSA-N 384.273 0.228 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3C(=O)O)CC2)C[C@@H](C)O1 577118011 KNZMQZZUHSFZQP-HUUCEWRRSA-N 397.497 0.856 0 40 GCAB Cn1cc(/C=C/C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)cn1 585289772 JYFSWUUUAJDSCY-JSAGRGGKSA-N 382.428 0.380 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1)NC1CC1 604382000 YHJHGKCEZPNPLS-SGFSRKTBSA-N 389.452 0.440 0 40 GCAB biogenic,in-vitro Cc1ccccc1CC(=O)N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 667775504 NUHOSCWROSLLJM-UHFFFAOYSA-N 398.467 0.401 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1=O 12748114 RGHQPLFBEYIFJD-OALUTQOASA-N 399.407 0.132 0 40 GCAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 17638158 JXBFESOIYKSGNR-LLVKDONJSA-N 380.875 0.312 0 40 GCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19586853 NUBVHDVGVPFZKT-UYAYXHRUSA-N 378.450 0.932 0 40 GCAB COCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694945 NDZVJXKVVMCCAO-INIZCTEOSA-N 399.451 0.855 0 40 GCAB CC(=O)Nc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)cc1 22996977 NEUPCMSCAZEYPP-KRWDZBQOSA-N 392.456 0.739 0 40 GCAB CCOC(=O)C1=C(CSc2nnc(N3CCOCC3)n2CC)NC(=O)NC1 32741810 NLQXFHRTATVMCB-UHFFFAOYSA-N 396.473 0.357 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)c3cccs3)n2)CC1 62023078 CBFWVWRYHKXHOB-UHFFFAOYSA-N 384.439 0.706 0 40 GCAB O=C(c1[nH]nc2c1CCCC2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998918 LRDNPNXKDBOLCA-CYBMUJFWSA-N 382.486 0.555 0 40 GCAB C[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 96844811 IWVSPGRPNPWQGN-RWMBFGLXSA-N 384.392 0.856 0 40 GCAB COc1ccc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2n1 253395446 BXHHNISNQKWXOK-UHFFFAOYSA-N 390.425 0.313 0 40 GCAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cc1 306127256 FTEXKHLUAWNCFK-OAQYLSRUSA-N 380.448 0.947 0 40 GCAB CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3cccc(OC)c3)CC2)CCO1 585286703 QJQSOIMCDUWXRD-LJQANCHMSA-N 377.485 0.863 0 40 GCAB NC(=O)c1ccsc1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10910902 CMZNGXBESDJPGL-UHFFFAOYSA-N 388.327 0.765 0 40 GCAB CCNC(=O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 12906569 DINJEXINAHYPLH-AWEZNQCLSA-N 375.878 0.895 0 40 GCAB O=C(CN1CCN(c2ccccn2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 12973153 UVBVGLMSCKPOOD-MRXNPFEDSA-N 378.498 0.382 0 40 GCAB CCOC(=O)C(=O)NCCOc1ccc2nnc(-c3ccc(OC)cc3)n2n1 13525163 DQEAMCAJSFNAIM-UHFFFAOYSA-N 385.380 0.858 0 40 GCAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)C4=NNC(=O)CC4)C3)ncc2C1 19018309 VPVZERZHNMUJAV-ZDUSSCGKSA-N 384.440 0.353 0 40 GCAB COC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC1 19592473 GJBDKLSANQWXBY-UHFFFAOYSA-N 376.438 0.966 0 40 GCAB COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cnc(N)nc2C)CC1 19656036 BXEGGHNZKIJGMA-UHFFFAOYSA-N 385.424 0.983 0 40 GCAB CCN(CC)Cc1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 19715959 ZOIRIHOJUPZQRK-UHFFFAOYSA-N 380.470 0.727 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccccc1Cl 20567949 VDBJTCAZTLYUPK-UHFFFAOYSA-N 375.878 0.554 0 40 GCAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 22930531 VDVRWCGNXCBLBJ-QGZVFWFLSA-N 386.496 0.441 0 40 GCAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 24051087 UKSZASDMRWGBBM-UHFFFAOYSA-N 382.467 0.391 0 40 GCAB O=S(=O)(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 32900085 GFXUZADNAXRBRA-UHFFFAOYSA-N 389.499 0.006 0 40 GCAB CC(C)C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 32903085 JSAKFNCUHVPERS-ZDUSSCGKSA-N 382.486 0.881 0 40 GCAB O=C(NCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1 35326003 BNDAIYJAOALFJT-UHFFFAOYSA-N 376.457 0.556 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc3c(c2)OCCO3)C[C@@H](C)O1 40089349 APXHINMSUGLVIT-ZIAGYGMSSA-N 398.481 0.556 0 40 GCAB COCCN(C)CCCNC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 48291046 IMNVRVSPWNSCIT-QGZVFWFLSA-N 378.452 0.989 0 40 GCAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CC12CCOCC2)N1CCOCC1 96052227 ZCCZPIBUOZONRU-QGZVFWFLSA-N 394.493 0.963 0 40 GCAB O=C1CCC(=O)N1CC(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119391 VKRINSBAUPOEJT-STQMWFEESA-N 380.404 0.461 0 40 GCAB C[C@@]1(O)CCN(C(=O)c2ccc(OCCN)cc2)C[C@H]1n1ccc(O)nc1=O 257331971 XVEBQAUYCRBRHL-DNVCBOLYSA-N 388.424 0.125 0 40 GCAB O=S1(=O)CC[C@@H](N(C[C@H](O)CO)S(=O)(=O)c2ccc3ccccc3c2)C1 575424201 TXBNUMLTOLJWMH-CVEARBPZSA-N 399.490 0.371 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1)NCc1cccnc1 604381955 WNZSVROEIFFBLT-PNDFQMOFSA-N 391.468 0.142 0 40 GCAB biogenic,in-vitro CC1(C)[C@@H](NC(=O)c2ccnc(N3CCOCC3)n2)C[C@H]1N1CCOCC1 640510583 QCFBMWCVZNWIPA-JKSUJKDBSA-N 375.473 0.542 0 40 GCAB CNC(=O)CN(CC(=O)NC)C[C@H]1CCC[C@@H](Oc2ccc(C)cc2)[C@@H]1O 643587305 AQXMFYSITHELCV-WRWLIDTKSA-N 377.485 0.697 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cccs2)CC1 2055745841 HADRZGDOQFNTJQ-UHFFFAOYSA-N 391.497 0.753 0 40 GCAB CCn1ncc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C 2730992 RXPBIVTWLKPDDB-NMWPEEMBSA-N 398.423 0.864 0 40 GCAB COCCN(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 4354929 YQRUKMXUYWXJCS-AWEZNQCLSA-N 396.444 0.472 0 40 GCAB CN(C)C[C@@H]1CN(C)C[C@@H](CN(C)C)C1(O)[C@H](C(=O)N(C)C)c1ccccc1 4962020 NCMASPPTUFNNND-AQNXPRMDSA-N 390.572 0.891 0 40 GCAB C[C@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc2c(c1)OCCO2 6899095 LXXXAUSGOBTDAJ-JTQLQIEISA-N 391.380 0.658 0 40 GCAB CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17466584 JAMUNSUIXBIERM-LJISPDSOSA-N 391.442 0.829 0 40 GCAB COCCNC(=O)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20731391 KQEPESLWKSJJPQ-SFHVURJKSA-N 392.431 0.813 0 40 GCAB CC(=O)N1c2ccc(S(=O)(=O)NCCCn3ncccc3=O)cc2C[C@@H]1C 23242022 OZYBPAIZUAIOQO-ZDUSSCGKSA-N 390.465 0.909 0 40 GCAB CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)CC1 23266342 YGRILRXLWNPSMI-UHFFFAOYSA-N 381.473 0.538 0 40 GCAB NC(=O)[C@H]1Cc2ccccc2CN1CCOc1ccc(S(N)(=O)=O)cc1 32851022 NHGJUKYDHSDTJP-QGZVFWFLSA-N 375.450 0.625 0 40 GCAB COC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 32916150 ALCZVXKDHWNTNL-UHFFFAOYSA-N 389.861 0.871 0 40 GCAB O=C(O)[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@@H]1O 71789618 LFADEVMFJZDHBQ-HNRZYHPDSA-N 388.170 0.201 0 40 GCAB in-vitro Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCN(C)CC1 220010104 QNPDNGYWERTQKJ-UHFFFAOYSA-N 394.541 0.755 0 40 GCAB CN(c1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1)S(C)(=O)=O 222624599 OUHWGSLCKTUKNE-UHFFFAOYSA-N 389.499 0.693 0 40 GCAB COC(=O)c1ccc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)cc1 225630679 SHESNKUGXSZDOW-UHFFFAOYSA-N 383.408 0.884 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CN(S(=O)(=O)c2cccc3cccnc23)C1 252503548 VFBUXWQWSINHJB-UHFFFAOYSA-N 393.450 0.210 0 40 GCAB Cc1ncc2c(n1)[C@H]1CN(C(=O)[C@H]3[C@@H]4C(=O)N(C)C[C@@]45C=C[C@H]3O5)C[C@H]1CC2 257308268 TWCRMDJSYGDGDN-RDGZIRQTSA-N 380.448 0.685 0 40 GCAB COc1ccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)cc1 306125015 CEPWSHVBRNGGNR-KRWDZBQOSA-N 384.484 0.693 0 40 GCAB CCOc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC(C)C 408701185 SZBNUXBPYXWILI-UHFFFAOYSA-N 399.513 0.834 0 40 GCAB NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575425701 HJTXKCYZCCECAW-SNVBAGLBSA-N 396.874 0.175 0 40 GCAB CCN1C(=O)[C@@H]2CN(c3ncnc4ccc(S(C)(=O)=O)cc34)CCN2C1=O 683391151 JNAIOZTXAQAPDW-AWEZNQCLSA-N 389.437 0.506 0 40 GCAB CCC[C@@H](C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495245 SYZQBECZCOMVER-GFCCVEGCSA-N 381.454 0.963 0 40 GCAB O=C(NC[C@H]1O[C@@H](CC(=O)N2CCCC2)[C@H](O)[C@@H]1O)Nc1cccc(F)c1 8643412 AAKDBRADQYXYSW-HDEZJCGLSA-N 381.404 0.449 0 40 GCAB biogenic,in-vitro CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 9827350 RWNYWXKXZXFZEO-UHFFFAOYSA-N 378.410 0.581 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1 10157539 OTBXWALYXXSIJE-HUUCEWRRSA-N 388.424 0.777 0 40 GCAB CC[C@H](C)N(C(=O)Cn1nnc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 27333352 WJGZXYPXAUWTQN-QWHCGFSZSA-N 378.454 0.606 0 40 GCAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 31772702 NNETVMJBOUTOEQ-CQSZACIVSA-N 393.508 0.432 0 40 GCAB Cc1cc(S(=O)(=O)N2CCN(CC(N)=O)CC2)ccc1Br 35334238 AAGUCTSIYGHYOF-UHFFFAOYSA-N 376.276 0.549 0 40 GCAB O=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2ccc(Br)cc2)C1 40693026 OMSAJDXMGVUJOB-NSHDSACASA-N 398.300 0.619 0 40 GCAB COc1ccccc1N1CCN(C(=O)NC2CCN(CC(N)=O)CC2)CC1 45608344 VVDRQPDOFXPGGA-UHFFFAOYSA-N 375.473 0.477 0 40 GCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96225632 REKMWJZNLWANDN-LRDDRELGSA-N 399.494 0.953 0 40 GCAB Cn1c(=O)ccn(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1=O 102310115 QUFGVTCNGUVRIZ-UHFFFAOYSA-N 396.407 0.398 0 40 GCAB CCOc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 219143839 HFNBCQUUOIJJAG-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB CN(C[C@H]1Cc2ccccc2CO1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 225788654 YCQBMJVENHQSOJ-OAHLLOKOSA-N 397.435 0.034 0 40 GCAB CC(C)(C)c1nc(CCNC(=O)c2nc(N)nc(N3CCOCC3)n2)cs1 578777670 SOBZTYFXVDBGTI-UHFFFAOYSA-N 391.501 1.017 0 40 GCAB C[C@@]1(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)Oc2ccccc2NC1=O 1586898466 ICANUDSJWXFQLN-RTBURBONSA-N 386.408 0.613 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(CC(=O)N3CCCCC3)CC2)n1 1889122617 JHLWQVTULUBHJP-UHFFFAOYSA-N 388.516 0.756 0 40 GCAB COCC(=O)N[C@@H]1C[C@@H](c2nc(COC)nn2-c2cccnc2)CC[C@H]1O 2332241427 IEBGGALIEGWYMK-NWANDNLSSA-N 375.429 0.568 0 40 GCAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 3372331 UKHVIVLDOYXTTM-UHFFFAOYSA-N 377.353 0.529 0 40 GCAB CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4303952 VCTYWBCQVMHWDL-UHFFFAOYSA-N 394.435 0.803 0 40 GCAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ncccn3)CC1)C2=O 8273059 DDWAQDULAQTBJB-UHFFFAOYSA-N 386.456 0.626 0 40 GCAB O=C1CN(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C(=O)N1 12526008 DCZRYRFSIZFFIK-UHFFFAOYSA-N 392.368 0.823 0 40 GCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1 12977632 QSGSFBYYJRUGHV-UHFFFAOYSA-N 378.454 0.553 0 40 GCAB COCCn1nc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)ccc1=O 49590092 BNIDDBGIHROZDS-QGZVFWFLSA-N 398.419 0.885 0 40 GCAB CS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 72303987 ONDCHXSURCILJV-UHFFFAOYSA-N 375.472 0.541 0 40 GCAB NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2O1 79107450 KLOWICFELLWJIY-WMZOPIPTSA-N 381.432 0.709 0 40 GCAB O=S(=O)(C1CC1)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244202 PPGCJNSOAMJHFZ-QGZVFWFLSA-N 380.470 0.279 0 40 GCAB CC(C)Oc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 219147351 OXUOIMXFSYPEMK-UHFFFAOYSA-N 399.513 0.688 0 40 GCAB COc1cc2c(cc1OC)CN(C(=O)CCCC(=O)N1CCNC(=O)C1)CC2 604419633 MFUZMPYOVGHDTF-UHFFFAOYSA-N 389.452 0.717 0 40 GCAB NS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)NCCO)cc2)s1 1153174619 AWRFKXROMJRWHA-UHFFFAOYSA-N 383.451 0.299 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)NC[C@]1(OCCO)CCSC1 1565520352 OBZRQOJVXITIRV-CYBMUJFWSA-N 381.497 0.698 0 40 GCAB COc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2C)c1 3350140 GVMDQLMXNSWHIE-GFCCVEGCSA-N 396.494 0.886 0 40 GCAB Cn1c(=O)c2c(nc(NCCNC(=O)C3CC3)n2Cc2ccccc2)n(C)c1=O 4861685 ZSXANCYAFBWHSZ-UHFFFAOYSA-N 396.451 0.420 0 40 GCAB CNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 7981851 BECIZDYGVSXRHH-UHFFFAOYSA-N 397.331 0.140 0 40 GCAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)OC)c1C(=O)OC 9938568 FRGVHRARHQLIKB-UHFFFAOYSA-N 390.352 0.667 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 12486608 ZQHZENHFRQAUCJ-UHFFFAOYSA-N 377.430 0.479 0 40 GCAB O=C(O)CCSCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12779015 RPZXIPKMFWRGTD-UHFFFAOYSA-N 386.495 0.869 0 40 GCAB Cn1nnc2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncnc21 13534383 CTCPLETZXGNFIA-UHFFFAOYSA-N 377.405 0.408 0 40 GCAB S=C(NCCCN1CCOCC1)N1CCN(CCc2ccncc2)CC1 13726715 IMHSGPQFORBPDC-UHFFFAOYSA-N 377.558 0.839 0 40 GCAB Cn1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O 32736785 DZWUDPRBTCQAPC-UHFFFAOYSA-N 390.465 0.885 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)cc1 42384756 QCGNUSBEBANVQG-AWEZNQCLSA-N 394.497 0.577 0 40 GCAB CC1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)CC1 67350328 NFNGEVLOFZSXMW-UHFFFAOYSA-N 383.470 0.128 0 40 GCAB CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3COc4ccccc4C3)cn2)CC1 72273936 HSENNPLFAWDXRO-INIZCTEOSA-N 383.452 0.847 0 40 GCAB C[C@H]1CN(C(=O)Cn2nc3n(c2=O)-c2ccccc2C2=NCCCN23)C[C@H](C)O1 72342165 JSTCFFIAFUXRHK-KBPBESRZSA-N 396.451 0.640 0 40 GCAB C[C@@H](NC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)c1nncn1C 95444197 ORQZOCUADYWOFK-OLZOCXBDSA-N 381.481 0.726 0 40 GCAB CC(C)Cn1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 95473082 QLGHJQPMRPNFRC-CYBMUJFWSA-N 377.466 0.898 0 40 GCAB COc1cn(CC(=O)NCC2CCOCC2)c(CN2CCSCC2)cc1=O 95473376 AKPMAOSHTQIOTG-UHFFFAOYSA-N 395.525 0.949 0 40 GCAB O=C(Nc1ccn([C@@H]2O[C@@H](CO)[C@H](O)C2(F)F)c(=O)n1)OCc1ccccc1 201462185 KFZMOOGZFANFGH-FPMFFAJLSA-N 397.334 0.878 0 40 GCAB COc1ccc(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 224268475 JRTHSIYWCNUSMV-UHFFFAOYSA-N 397.497 0.965 0 40 GCAB COC(=O)CSc1nnc(NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 225510174 UFRGBYSRGQSEDN-UHFFFAOYSA-N 394.500 0.413 0 40 GCAB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 247952455 RHHNTCYTVQANIZ-RHQZKXFESA-N 395.408 0.289 0 40 GCAB biogenic Cc1cc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)n(C)n1 306131061 JVKZYHRSIHTKHP-CQSZACIVSA-N 377.470 0.587 0 40 GCAB CC(C)[C@@H](C)NC(=O)c1cn2c(nc1=O)[C@]1(CCN(S(C)(=O)=O)C1)CC2 306131861 KRMSHDYSHZAXOK-PXAZEXFGSA-N 382.486 0.324 0 40 GCAB Cn1cc(CN2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 306141058 VKMYLVWLVZRZIS-LJQANCHMSA-N 398.492 0.796 0 40 GCAB O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc(C(F)(F)F)s2)C1 572421376 MZRSWFUKEQUXIL-ZETCQYMHSA-N 386.373 0.978 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2ncnn2C[C@H](C(=O)Nc2ccccc2)C1 1565548130 SOBFXPBYQDCYAQ-CYBMUJFWSA-N 391.453 0.310 0 40 GCAB O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 2030982 CNMCFXDTJZNDME-SDPXSBNPSA-N 390.421 0.023 0 40 GCAB biogenic CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 3431344 JKVWMFUWATUCGR-BXUZGUMPSA-N 397.453 0.150 0 40 GCAB COCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 4528871 AHDHPRYJQVCUOL-UHFFFAOYSA-N 375.429 0.914 0 40 GCAB Cc1ccccc1OC[C@H](O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 5018868 PIMUYWLBUPPWRW-LLVKDONJSA-N 378.816 0.835 0 40 GCAB COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 6880742 PWTTYUOAFAABRM-ZDUSSCGKSA-N 385.376 0.470 0 40 GCAB Cc1cc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2NCCO)on1 8252453 YQGPFLIIHYUSCT-UHFFFAOYSA-N 383.426 0.995 0 40 GCAB O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccco1 12164554 QDNSECFLVKUCCB-UHFFFAOYSA-N 379.442 0.342 0 40 GCAB Cc1cccc(OC[C@H](O)Cn2c(NC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 12232262 GALQFUPVDDVVEK-CYBMUJFWSA-N 387.440 0.992 0 40 GCAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 38828119 JTDYRMKSJMIODX-CYBMUJFWSA-N 399.407 0.680 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 58046749 NZNWTZYNFULIEH-ZDUSSCGKSA-N 389.905 0.845 0 40 GCAB CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCC4CC4)cn23)C1 96268054 FCVHWPFDSCIMII-HNNXBMFYSA-N 385.472 0.839 0 40 GCAB CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)[C@H]1O 257201346 AHHLODKVRYVCFR-OYNZBZHQSA-N 397.439 0.143 0 40 GCAB OC[C@@H]1O[C@H](O[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@@H]23)[C@@H](O)[C@H](O)[C@@H]1O 257239880 HREUTUWILNMRSM-XXWPRJKISA-N 380.437 0.502 0 40 GCAB CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)ccc1Br 521365993 JXVSWNSOSQTBIF-JTQLQIEISA-N 392.227 0.778 0 40 GCAB CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 548026047 SJLWANXNTAXCSS-UXLLHSPISA-N 397.545 1.562 0 40 GCAB CCn1cc(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(C)n1 585272394 MXSMLLBJDJCMGT-UHFFFAOYSA-N 378.410 0.969 0 40 GCAB CN(C)C(=O)CN1CCC(Nc2ncnc3ccc(S(C)(=O)=O)cc23)CC1 683389244 UCPHJPZSXBXQMW-UHFFFAOYSA-N 391.497 0.998 0 40 GCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)NC[C@@H]1CCCO1 1547200978 FEMINLOXGCTNRN-ZDUSSCGKSA-N 375.360 0.467 0 40 GCAB CN1CCC2(CC1)CCN2C(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1591181971 QGSDSOAQGGJJJN-OAHLLOKOSA-N 395.467 0.916 0 40 GCAB COc1c(C)ncnc1N1C[C@@H](C(=O)N2CCOCC2)[C@H](c2cn(C)cn2)C1 1614995566 CVVQIQCLUIXSBU-HUUCEWRRSA-N 386.456 0.606 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCCC2=O)cc1C 4438116 ILPYJYAKMZVTSP-UHFFFAOYSA-N 382.438 0.664 0 40 GCAB C[C@H](O)CNC(=O)Cn1c(SCC(=O)NC[C@@H](C)O)nc2ccccc21 5387118 RRKZMYXJSCTDTM-NWDGAFQWSA-N 380.470 0.122 0 40 GCAB C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)c(F)c1 12575473 ZSRGPYJWXLYRDA-SECBINFHSA-N 377.351 0.589 0 40 GCAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 19961066 JOLHJFDVBAHKHJ-LBPRGKRZSA-N 383.408 0.979 0 40 GCAB COCC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 20745490 QPCXOWGPXVSRHB-NSHDSACASA-N 387.358 0.937 0 40 GCAB CCC(CC)[C@@H](CNC(=O)c1ccc(=O)n(CCOC)n1)N1CCOCC1 22899028 GMBSMQPUUSNQOG-QGZVFWFLSA-N 380.489 0.757 0 40 GCAB COCCn1c(N)c(C(=O)CN(C)Cc2ccc(F)cc2F)c(=O)[nH]c1=O 22965183 VLTGMKCSAHSWKX-UHFFFAOYSA-N 382.367 0.358 0 40 GCAB CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 23750374 VRGXWROQGRWATJ-UHFFFAOYSA-N 393.513 0.971 0 40 GCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O 25448396 DIEYTPUNDHJPBM-LJQANCHMSA-N 392.500 0.858 0 40 GCAB CCOC(=O)[C@H]1CCc2sc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)nc21 36708419 DXHYAUNMKZXXPR-QMMMGPOBSA-N 378.410 0.602 0 40 GCAB CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@H](CO)Cc3ccccc3)cc21 40286925 KYQPGHCSRAJTLG-HNNXBMFYSA-N 383.404 0.700 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 52854854 HVQJERTYDKRWAD-UHFFFAOYSA-N 383.514 0.423 0 40 GCAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2c[nH]cn2)[C@@H]1O 77263710 MXNBULIPGVBDMX-NUJGCVRESA-N 390.488 0.816 0 40 GCAB biogenic,in-vitro CN1CCN(CCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 101814119 SVNVOBXSTVRRPU-HNNXBMFYSA-N 395.301 0.918 0 40 GCAB Cn1nc(-c2cccnc2)cc1CNC(=O)C1CCN(S(C)(=O)=O)CC1 253471772 FQUQDJIQQSFVLY-UHFFFAOYSA-N 377.470 0.770 0 40 GCAB CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@@H]2CCCN(Cc3ccccc3)C2)[nH]1 555897313 XFWIXVAKTDZMBH-QGZVFWFLSA-N 385.516 0.438 0 40 GCAB COc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1C(N)=O 575605902 HWIRKEIRLDVQSY-CQSZACIVSA-N 397.497 0.573 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1S(C)(=O)=O 1614948459 JUYCFBOGFUYFTG-LBPRGKRZSA-N 387.458 0.586 0 40 GCAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(C3CCC3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242289 ZDYNEEYNMMMZHW-XIRDDKMYSA-N 391.516 0.426 0 40 GCAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2-n2cnnn2)n1 1350709 VNCQQBIQUYOZGK-UHFFFAOYSA-N 377.368 0.963 0 40 GCAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 5027217 IZDFHHVPNPDEDP-IHRRRGAJSA-N 398.504 0.907 0 40 GCAB CCCCN(C(=O)COC(=O)COCC)c1c(N)n(CCC)c(=O)[nH]c1=O 11397137 VULMWZSLTIFLNO-UHFFFAOYSA-N 384.433 0.242 0 40 GCAB Cn1c(COC(=O)c2ccc3c(c2)NC(=O)CCS3)cc(=O)n(C)c1=O 11477266 FPSYHLRMOZBBBP-UHFFFAOYSA-N 375.406 0.875 0 40 GCAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NCc1ccc2c(c1)OCO2 11927598 ITPBAIDSOOEDHB-UHFFFAOYSA-N 386.408 0.709 0 40 GCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 12141948 KKSSBHJAFWBUTM-AWEZNQCLSA-N 387.444 0.305 0 40 GCAB Cn1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(=O)n(C)c1=O 12771794 MADXUFIUKNMGHL-AUECHBEKSA-N 396.447 0.975 0 40 GCAB O=C(NCCCn1ncccc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 23241794 OZXKUGBZWXZCOF-UHFFFAOYSA-N 390.465 0.848 0 40 GCAB CNC(=O)c1cccc(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 24548369 ZYCOTYKHIRXYDS-UHFFFAOYSA-N 379.376 0.494 0 40 GCAB CC(C)NC(=O)NC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O 28614785 RNWNSGASCYFIMO-UHFFFAOYSA-N 375.381 0.840 0 40 GCAB NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 32824041 KZAWWQRHZBHHOL-UHFFFAOYSA-N 395.462 0.697 0 40 GCAB COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 44844499 IDSQDNFTIFWXGG-UHFFFAOYSA-N 383.470 0.954 0 40 GCAB COCCn1nc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1=O 48310656 NVFFGFLWHCKEML-QGZVFWFLSA-N 384.436 0.983 0 40 GCAB CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 60090926 PBUODIYMFASZFG-CQSZACIVSA-N 398.485 0.791 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2cccc(O)c2)C(=O)O)CC1 71279897 OSGJIZOFIQSZSS-AWEZNQCLSA-N 392.456 0.127 0 40 GCAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 95446824 MWUKILISCVLYMM-CYBMUJFWSA-N 382.367 0.482 0 40 GCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2nccnc2-c2cncc(C(=O)O)c2)C1 257294201 QTANUVHNGUYLAI-GFCCVEGCSA-N 391.453 0.908 0 40 GCAB Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CCN(C(=O)c2ccncc2)C1 306143312 XYMZGAHMIYTZQY-IBGZPJMESA-N 377.408 0.621 0 40 GCAB COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c(Br)c1 572338822 WUQWTJJNDNFLKY-SNVBAGLBSA-N 380.216 0.932 0 40 GCAB Cc1ncnc(C(=O)N2CCOC[C@@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)c1C 1614931000 DSRQXTCJNXIUOO-OXJNMPFZSA-N 399.451 0.741 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3nccc(N4CCCC4)n3)CC2)C[C@@H](C)O1 2086889258 WURVJAPTYYADLD-CALCHBBNSA-N 388.516 0.835 0 40 GCAB O=C(O)CCCNC(=O)COc1ccccc1OCC(=O)NCCCC(=O)O 4173580 GORNYVQXMNECBC-UHFFFAOYSA-N 396.396 0.406 0 40 GCAB CCN(C(=O)COC(=O)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 5216924 POASKQNXUWGAKJ-UHFFFAOYSA-N 386.408 0.473 0 40 GCAB CCOC(=O)c1sc2nc(COC(=O)Cn3cnnn3)nc(N)c2c1C 8746931 GQJUYAHWPIUUJT-UHFFFAOYSA-N 377.386 0.489 0 40 GCAB Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12444895 BQCJKAKMWUKZKG-UHFFFAOYSA-N 389.481 0.667 0 40 GCAB Cn1nnc2c(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)ncnc21 13534442 NSEDGYFLRCAULH-UHFFFAOYSA-N 393.860 0.923 0 40 GCAB CCn1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 17081550 SBAOYSFBYUZPRD-UHFFFAOYSA-N 398.510 0.907 0 40 GCAB CS(=O)(=O)NCC(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19573208 NMECXCRZWBLTDV-UHFFFAOYSA-N 381.454 0.156 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20566085 BUONQAWZMCXZSY-GRZMIYOTSA-N 393.827 0.088 0 40 GCAB COC(=O)c1cc(NC(=O)CCn2nc(O)ccc2=O)cc(C(=O)OC)c1 23131514 SAORUXRHVNFFOP-UHFFFAOYSA-N 375.337 0.551 0 40 GCAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24013411 YSCYLIJWWMYIFH-KRWDZBQOSA-N 391.493 0.758 0 40 GCAB O=C1CN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cn2)CCN1 31718308 LIZPGINOODDHGP-UHFFFAOYSA-N 377.408 0.910 0 40 GCAB COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 32979480 QEOXJWICAZSPAG-UPJWGTAASA-N 384.454 0.776 0 40 GCAB COCCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2n[nH]c(=O)c-2c1 38670593 DBRFXRBSYUPLLK-UHFFFAOYSA-N 399.407 0.514 0 40 GCAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1C 78752283 XCINFWFECYFVNL-HUUCEWRRSA-N 390.440 0.379 0 40 GCAB COc1ccc2c(c1)c(C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)cn2C 79493023 ZRBHXHIXTCIIGP-UHFFFAOYSA-N 380.470 0.751 0 40 GCAB CCS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 96056117 ADFWMCCULKIBHV-PBHICJAKSA-N 381.502 0.433 0 40 GCAB Cn1cc(CN2C[C@@H]3[C@H](C2)c2nc(NCC4CC4)ncc2CS3(=O)=O)cn1 96251924 MYVISQZKIKUEAP-JKSUJKDBSA-N 388.497 0.928 0 40 GCAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)C(=O)O 101273577 UTUVBQGJGHLLFS-NEPJUHHUSA-N 380.378 0.339 0 40 GCAB COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 257314046 UVCXJGURYRTTEX-SFHVURJKSA-N 379.388 0.273 0 40 GCAB CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(S(C)(=O)=O)C2 257336736 YPUKBDAMMKKMRD-KZNAEPCWSA-N 379.482 0.746 0 40 GCAB CN1CCO[C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@@H]21 581443541 DOFBKVLOGFWOTD-HOTGVXAUSA-N 387.440 0.675 0 40 GCAB COc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1OCCO 684878009 AXSLZESNQWWIOV-INIZCTEOSA-N 391.468 0.621 0 40 GCAB O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 5496575 XFJOBTJBGUCADD-TWQVAMRWSA-N 391.468 0.483 0 40 GCAB Cc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1-c1ccccc1 6614893 FZFDPQQCXLTXRG-UHFFFAOYSA-N 386.437 0.530 0 40 GCAB O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ccc3nnnn3n2)CC1 8724783 CKDMVWOFVCRUBG-UHFFFAOYSA-N 377.405 0.559 0 40 GCAB Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039725 IAUXRJLZLHTWLV-LLVKDONJSA-N 384.440 0.950 0 40 GCAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 9281776 AHXUQWFJPHVJCY-LBPRGKRZSA-N 382.424 0.478 0 40 GCAB CC1=NN(CC(=O)O)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 9421492 WSGRCINSBDGCLB-UHFFFAOYSA-N 382.380 0.226 0 40 GCAB O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)N1 13608378 MRPHIBIGVWONBW-VXGBXAGGSA-N 377.422 0.576 0 40 GCAB COCCNC(=O)CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19018252 RJVRVJVYMSPTTP-QGZVFWFLSA-N 375.473 0.671 0 40 GCAB CN1CCN(N2CN(CCCN3CCOCC3)Cn3c2nc2ccccc23)CC1 20637229 JEHBHQBVJUXDIP-UHFFFAOYSA-N 399.543 0.958 0 40 GCAB C[C@@H](C(=O)OCc1nc(N)nc(N(C)C)n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 24976757 QHAUOQNOGYAOOT-DCAQKATOSA-N 376.417 0.127 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375353 HWFXDYWQMGAYIQ-RPFBBNIXSA-N 384.436 0.471 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(Cc3ccccc3)o2)n(C)c1=O 38747146 JDEDGDOCMGJUDV-UHFFFAOYSA-N 395.379 0.046 0 40 GCAB O=C1N[C@]2(COC3(CCN(C(=O)CN4CCCC4=O)CC3)C2)Nc2ccccc21 72325351 JMFAYSIBAGZTME-OAQYLSRUSA-N 398.463 0.942 0 40 GCAB COCCN(C)C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 96267663 GIGBPLDDHADMBM-LBPRGKRZSA-N 381.458 0.197 0 40 GCAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCC(=O)O 408548936 NSKDRSQJZAGUTL-IZZDOVSWSA-N 378.337 0.614 0 40 GCAB Cn1cc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)c(=O)n(C)c1=O 640337715 WZONKLYCGVMTFD-UHFFFAOYSA-N 379.367 0.716 0 40 GCAB C[C@H]1CN(C[C@H]2CCCN2C(=O)CNC(=O)c2ncccc2O)C[C@@H](C)O1 1625754823 BMSRGKFGGLPSBN-QLFBSQMISA-N 376.457 0.617 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888922141 RGJIMUSWRRMITQ-SNVBAGLBSA-N 378.376 0.579 0 40 GCAB O=C(OCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3371685 TUHCPCFMLGWOMQ-UHFFFAOYSA-N 382.438 0.487 0 40 GCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 4760637 LSGQBKXSCAVGDH-BNOWGMLFSA-N 384.454 0.985 0 40 GCAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)OC)c2)CC1 13014454 BEBMXVVQDBOZLT-UHFFFAOYSA-N 390.483 0.566 0 40 GCAB Cc1cc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1C[C@@H]1CCCO1 13985738 KSIPBGPGNPSJHH-AWEZNQCLSA-N 389.408 0.560 0 40 GCAB O=C1COc2ccc(C(=O)C3CCN(C(=O)CN4CCOCC4)CC3)cc2N1 19345459 OIORHTVAAIZJAX-UHFFFAOYSA-N 387.436 0.771 0 40 GCAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 31772690 AZVVWGQFEIPNSM-ZDUSSCGKSA-N 379.481 0.088 0 40 GCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCCc1cccc(F)c1 72402287 JGGLPLGLKUIXSZ-UHFFFAOYSA-N 386.431 0.806 0 40 GCAB CCC(CC)[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)N1CCOCC1 95401814 DWUMEKCLRKPXDV-JKSUJKDBSA-N 375.535 0.664 0 40 GCAB CN(CC(=O)N1CCC(O)CC1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 95461825 LCCNYJDZJPYORZ-UHFFFAOYSA-N 396.444 0.615 0 40 GCAB C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 95480487 PGIONFBYYQYIOY-KBXCAEBGSA-N 378.450 0.397 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@]21CCNC1=O 96062602 YTKITQQGTDRPKO-IBGZPJMESA-N 392.525 0.835 0 40 GCAB CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2)CC1)C(=O)O 100771547 MGPGJNSYWZXRGF-XGUBFFRZSA-N 385.530 0.984 0 40 GCAB CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 506615186 XYAQBWONFSQLBJ-ZBFHGGJFSA-N 381.502 0.621 0 40 GCAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 530165019 MYHRGBDHSXEQJA-ZDUSSCGKSA-N 395.481 0.499 0 40 GCAB CN(CCn1cccn1)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 544923628 PJMJWLHHMMQQCK-CYBMUJFWSA-N 392.437 0.641 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCN1C 585168392 IHEUYRSGHKFPSV-ZDUSSCGKSA-N 380.832 0.527 0 40 GCAB CCN(Cc1ccncc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585291052 IQUUBFZFCXMGKA-MOPGFXCFSA-N 391.493 0.700 0 40 GCAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OC)c[nH]1)[C@H](C(N)=O)C2 604405963 UYKIBSIZQDDPLB-ZDUSSCGKSA-N 387.392 0.453 0 40 GCAB biogenic COC1(CC(=O)N2CCOC[C@]3(CC[C@H](Cn4ncccc4=O)O3)C2)CCC1 1565548547 FBXCYVNNJLNIAL-UZLBHIALSA-N 391.468 0.979 0 40 GCAB COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 6141613 AFOTWLBDVJKNFS-LLVKDONJSA-N 382.467 0.876 0 40 GCAB CN(C)C(=O)[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 7112426 IWLWMRDBEKLXCY-HNNXBMFYSA-N 389.433 0.857 0 40 GCAB Cc1ccc(C)c(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2c(N)[nH]c(=O)[nH]c2=O)c1 8990136 SDSBWRDIOONUHZ-UHFFFAOYSA-N 380.364 0.454 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Br)c1 12622946 OVITVYBVOAKCOY-NSHDSACASA-N 391.243 0.501 0 40 GCAB COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)N1CCOCC1 15709514 GUMCZRYUTDHDSE-HNNXBMFYSA-N 379.388 0.577 0 40 GCAB biogenic,in-vitro CCN(C(=O)[C@@H](C)OC(=O)c1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 16795561 GYWWUINXXUULCZ-BXUZGUMPSA-N 397.453 0.758 0 40 GCAB COc1ccc(C(=O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 16839424 VLPXFMHJEOCHOO-UHFFFAOYSA-N 383.408 0.915 0 40 GCAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C(=O)COc3ccccc31)C2=O 18023315 URXIMUCKHUQSJV-UHFFFAOYSA-N 386.408 0.944 0 40 GCAB CN1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCCC2)N3C)CC1 22922391 GTSNOFFXHCIJBD-NSHGMRRFSA-N 391.560 0.356 0 40 GCAB biogenic,in-vitro CCN(CC(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccc(OC)c(F)c1 27363009 VFEBQJGYUPJJBX-UHFFFAOYSA-N 387.477 0.760 0 40 GCAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc2ccccc2c1 32928020 JELFNBXFMSDUKC-MRXNPFEDSA-N 390.461 0.980 0 40 GCAB COC(=O)C12C[C@@H]3C[C@@H](CC(NC(=O)CCn4ccc(=O)[nH]c4=O)(C3)C1)C2 44226261 OQMCQWDDWRAVQX-NFAYLAGKSA-N 375.425 0.555 0 40 GCAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(CCS(N)(=O)=O)CC1 78970373 JNDPJMQZUVTZIU-DGTBMVLOSA-N 398.573 0.366 0 40 GCAB COc1ccccc1-c1noc(CS(=O)(=O)CCC(=O)N2CCOCC2)n1 83982740 URRWGKFESVIMKU-UHFFFAOYSA-N 395.437 0.909 0 40 GCAB CCOc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)cc1 90591388 UPBXPOQJGOUSII-UHFFFAOYSA-N 394.375 0.978 0 40 GCAB COC[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)OC 95994582 QNMKXUZGBPYUDW-INIZCTEOSA-N 378.425 0.608 0 40 GCAB CCS(=O)(=O)CC(=O)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95998400 XQABXAIPIVDYOH-KRWDZBQOSA-N 393.509 0.761 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cnn(-c2ccccc2)n1 225794502 HMYHTDYKDCOKBK-UHFFFAOYSA-N 377.364 0.096 0 40 GCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 585109934 PHQBTHDWPIDLCU-AWEZNQCLSA-N 399.430 0.607 0 40 GCAB CC(C)N(CCO)C[C@@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@@H]1O 643550828 ZQRPCBYXLDBWSA-PKOBYXMFSA-N 384.904 0.910 0 40 GCAB C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CS1(=O)=O 664978342 XUWWAFCUMUMOAM-JHJVBQTASA-N 386.495 0.822 0 40 GCAB Nc1cc(Br)c(OCCOCCO)cc1OCCOCCO 1565505010 RYAGLCZXLKCLRB-UHFFFAOYSA-N 380.235 0.807 0 40 GCAB COc1cccnc1CNC(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(C)=O)C1 1615551466 XJIQTDABXQLAII-HUUCEWRRSA-N 386.456 0.885 0 40 GCAB Cn1ccnc1[C@@H]1CN(C(=O)CCn2cc(Br)ccc2=O)C[C@H]1N 1615592708 UQTZVNNSRIFLCJ-CHWSQXEVSA-N 394.273 0.688 0 40 GCAB Cc1cc(N2CCN(c3ccc4nnc(C)n4n3)CC2)nc(N2CCOCC2)n1 1889175231 KENMQGVZPKGLJU-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1cc(=O)n2ccsc2n1 3502191 WYQRZWAXGUJRRR-UHFFFAOYSA-N 384.373 0.503 0 40 GCAB O=C1OCCOCCOCCOCCOCCOC(=O)C1c1ccccc1 5573150 CUMQTPGSWVDOBC-UHFFFAOYSA-N 382.409 0.937 0 40 GCAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 6863574 IPHAWXRXLSKQAZ-ATLSCFEFSA-N 388.420 0.938 0 40 GCAB CCCn1c(S[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)n[nH]c1=O 7365004 MMSQPEKPBWFWKD-QWRGUYRKSA-N 376.504 0.498 0 40 GCAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12872760 FGBKFXJTELAFES-UHFFFAOYSA-N 384.502 0.687 0 40 GCAB O=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)[C@@H]1CCCO1 19291952 NAISRWWYDHLIKW-INIZCTEOSA-N 375.473 0.751 0 40 GCAB O=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)[C@H]1CCCO1 19291953 NAISRWWYDHLIKW-MRXNPFEDSA-N 375.473 0.751 0 40 GCAB O=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 19797226 MGNOGGHIMVZCOH-KBPBESRZSA-N 379.887 0.612 0 40 GCAB COCCNC(=O)NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O 22357988 MXVJZELNRIUSRZ-UHFFFAOYSA-N 377.445 0.660 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2cn(Cc3ccccc3)nn2)cc1 24353813 GLNYQGXNQFXLRU-UHFFFAOYSA-N 385.449 0.946 0 40 GCAB COc1ccc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)cc1S(N)(=O)=O 24892389 VHVXTJNUBHIOCW-ZETCQYMHSA-N 384.332 0.566 0 40 GCAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 32896024 YVBRIHCGGSGZDD-VXGBXAGGSA-N 397.453 0.705 0 40 GCAB CN(C)c1nccc(N2CCO[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)n1 96248877 LQKZETSZLZGMSI-CVEARBPZSA-N 389.481 0.821 0 40 GCAB COCCNC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 223888254 UWFPKXMCAYIDLG-UHFFFAOYSA-N 386.470 0.411 0 40 GCAB O=C(Cn1ncccc1=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742523 FBMJAHZVCDSXIW-UHFFFAOYSA-N 393.451 0.514 0 40 GCAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 408612117 YMKUKBXGOHZTJH-OAHLLOKOSA-N 399.513 0.589 0 40 GCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 572410059 MGXZHKXSRTUWCW-LBPRGKRZSA-N 398.428 0.386 0 40 GCAB CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C(F)(F)F)c1 594702015 SOFKNGIUQYPKBY-BXKDBHETSA-N 377.388 0.857 0 40 GCAB Cn1nccc1[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1N 1615591605 OIQBCYOIINVYQZ-RTBURBONSA-N 382.512 0.886 0 40 GCAB Cn1cnnc1CN1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1776001974 WMOAUGVKNBWHIY-UHFFFAOYSA-N 381.366 0.984 0 40 GCAB CCS(=O)(=O)N1CCC(Nc2nccs2)(C(=O)NCCOC)CC1 2055739026 IQUOPCKFBAVXQA-UHFFFAOYSA-N 376.504 0.502 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)c2cccc(F)c2)CC1 2055745745 XOYMIOLILDVCPS-UHFFFAOYSA-N 395.460 0.363 0 40 GCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2ccncc2)CCO3)nc1 2056225608 SZPLRQCXJMHAEI-PXNSSMCTSA-N 383.452 0.856 0 40 GCAB CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 3415234 OQFZHAQOBDXIKQ-UHFFFAOYSA-N 381.498 0.875 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@@H]2SC1 3830510 XIURVHNZVLADCM-WFASDCNBSA-N 396.446 0.592 0 40 GCAB biogenic O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCS(=O)(=O)C1 8157204 MPGINNXOLZCJCW-ZDUSSCGKSA-N 392.481 0.270 0 40 GCAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCOCCO 10233361 DXAOBNOWMGPWMI-UHFFFAOYSA-N 397.435 0.515 0 40 GCAB COc1ccc(N(CCC(N)=O)C(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 12751243 MYEYFYQQGMRFQO-UHFFFAOYSA-N 396.407 0.346 0 40 GCAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(C(=O)C2CC2)CC1 12911634 YFTDTUDMDSOYEQ-UHFFFAOYSA-N 377.466 0.921 0 40 GCAB COc1cc(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc(OC)c1OC 12947577 YEFIRFBEBYGHDL-UHFFFAOYSA-N 377.397 0.456 0 40 GCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(C)CC2)cc1C 28210108 HPPPQEPNBLIMJH-HNNXBMFYSA-N 395.481 0.457 0 40 GCAB Cn1c(CN2CCOCC2)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O 31820691 BITQMANNMPSQSO-UHFFFAOYSA-N 377.828 0.801 0 40 GCAB COc1ccc(CN(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 57606800 XQTZWGPKXZKWDK-UHFFFAOYSA-N 389.387 0.240 0 40 GCAB CCn1cc(C(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cn1 95442250 VWOZPMSZRMQIJY-UHFFFAOYSA-N 393.451 0.956 0 40 GCAB C[C@@H](C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21)N1CCOCC1 95482140 VRIRTIDWJJYXNL-ZDUSSCGKSA-N 381.454 0.379 0 40 GCAB COC(=O)CCC(=O)N1CC[C@@H]2CN(Cc3ccncc3)S(=O)(=O)[C@@H]2CC1 96145443 JBQJOHXRZCKRDK-HZPDHXFCSA-N 395.481 0.787 0 40 GCAB NC(=O)Cc1csc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)n1 108450240 QKWMCNAHXCAWMB-GFCCVEGCSA-N 387.421 0.640 0 40 GCAB COc1cccc(N(CCCC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 222593687 CLSOKWJDMFIGAE-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB COc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c(OC)c1 222673727 XLUOJIRZBSWQMY-UHFFFAOYSA-N 391.380 0.073 0 40 GCAB O=C(CCn1ccc(O)nc1=O)NCc1nnc2ccc(-c3cccs3)nn12 253537332 OELFCIHYNANUEL-UHFFFAOYSA-N 397.420 0.822 0 40 GCAB CN1CCO[C@@H](CNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)[C@@H]1c1cnn(C)c1 661299781 FVVULZIKNNIFLX-YVSFHVDLSA-N 390.488 0.244 0 40 GCAB Cn1cc(CC(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccnc4)C[C@]3(C)C2)cn1 1616032730 HVWSNDXHEKCIGH-QAPCUYQASA-N 389.481 0.527 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889149374 BIBGSXYINLJRKI-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB O=C(CN1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1)N1CCCC1 2055796000 IOTABBSQONWBOF-HXUWFJFHSA-N 387.484 0.409 0 40 GCAB O=C(OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 4403199 LDFVROHMRYBVGB-TVFCKZIOSA-N 390.388 0.144 0 40 GCAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 4574707 ZJNITTSQIVIBPV-XJKCOSOUSA-N 392.456 0.434 0 40 GCAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 4945676 JBXPCYNNBSCDFD-CYBMUJFWSA-N 387.440 0.532 0 40 GCAB COCCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc(C(N)=O)c1C 9963864 WYHGOFHXEYFSNW-UHFFFAOYSA-N 399.454 0.808 0 40 GCAB C[C@@H](NC(=O)c1cncnc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366238 QYELAXANJUJXKY-PBHICJAKSA-N 383.452 0.946 0 40 GCAB CCS(=O)(=O)N1CCN(Cc2cn(CC(N)=O)c3ccc(OC)cc23)CC1 19520374 XLVSFDRBXGWZBX-UHFFFAOYSA-N 394.497 0.603 0 40 GCAB Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 32894916 QCUZMYSKVWFKKJ-HOTGVXAUSA-N 396.465 0.742 0 40 GCAB CCCn1c(N)c(C(=O)CSc2nnc(-c3ccncc3)o2)c(=O)[nH]c1=O 32945274 DUKVGULVZJQIRD-UHFFFAOYSA-N 388.409 0.949 0 40 GCAB COCCCS(=O)(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 83902648 OQZUMOJWOIDJTG-UHFFFAOYSA-N 397.375 0.115 0 40 GCAB COc1ccc(CCNC(=O)CN2CCN(c3cnccn3)CC2)cc1OC 96988760 GCIKWKSMFJZAQP-UHFFFAOYSA-N 385.468 0.975 0 40 GCAB CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 298150080 VBWRJHSDUISROK-UHFFFAOYSA-N 387.889 0.749 0 40 GCAB CN(C[C@H]1CCOC1)c1ncc(S(=O)(=O)NCCO)cc1C(F)(F)F 1615053462 UWNMRXWMGNZQLT-SNVBAGLBSA-N 383.392 0.844 0 40 GCAB O=C1CCCN1CC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840578 NUZBGQMUTZPAKZ-IBGZPJMESA-N 375.400 0.782 0 40 GCAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CS(C)(=O)=O)C1 2055751149 MWSPKCVQMHAFIB-GOSISDBHSA-N 397.497 0.267 0 40 GCAB Cc1cc(C)cc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 3356059 FIGFSKBCIIKFSA-UHFFFAOYSA-N 375.381 0.088 0 40 GCAB O=C(OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 4403200 LDFVROHMRYBVGB-XMTFNYHQSA-N 390.388 0.144 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c(=O)n2C 6082787 HELYSIFPDOZXSJ-UHFFFAOYSA-N 397.313 0.971 0 40 GCAB CC(=O)NCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 6732965 OOXRZBNZFJKPBF-UHFFFAOYSA-N 394.431 0.798 0 40 GCAB COc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)[nH]2)cc1OC 12347391 KLIOEEHIOUMFTO-UHFFFAOYSA-N 394.409 0.930 0 40 GCAB COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(C)CC1 19589845 GIHKSZWBBSFNJW-KRWDZBQOSA-N 376.461 0.674 0 40 GCAB COCC(=O)N1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19762785 CFQWAOCOWYLEML-GOSISDBHSA-N 387.436 0.845 0 40 GCAB CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 21548639 HQLSRSUHZUHRNJ-UHFFFAOYSA-N 389.905 0.799 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)ncnc21 21999053 TYQARSIPWOWERO-MRXNPFEDSA-N 380.408 0.852 0 40 GCAB CNC(=O)[C@H](C)CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 72311394 SADSEEZCSZWSEG-SECBINFHSA-N 381.907 0.863 0 40 GCAB O=C(Cc1ccccc1)NCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 84525655 DIFBRGGHDSEPRJ-UHFFFAOYSA-N 386.496 0.502 0 40 GCAB CN1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 95984112 SOGIMEKAAFVFBH-ZDUSSCGKSA-N 396.918 0.494 0 40 GCAB CN(CC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)S(C)(=O)=O 206842670 SEQNWTGAELMZHK-CYBMUJFWSA-N 380.426 0.553 0 40 GCAB O=C(O)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 652053071 QFIPZOIHIHJJQW-MNOVXSKESA-N 391.243 0.773 0 40 GCAB Cc1nn(C)cc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2732344 YXBWIQFUEWFVCW-CQSZACIVSA-N 394.501 0.488 0 40 GCAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1OC 3329507 BJWYUAULSFKBSF-SNAWJCMRSA-N 398.437 0.654 0 40 GCAB O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c2c1CCCCC2 4082105 CQNGCTNVCBUIBB-BFMVXSJESA-N 392.404 0.241 0 40 GCAB biogenic CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n2C1 8724535 SJSTWQYZOUUGFW-UHFFFAOYSA-N 396.451 0.832 0 40 GCAB O=C(Cc1ccc(F)cc1)NCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9059565 JCPWBQMMPCPFHE-UHFFFAOYSA-N 385.443 0.871 0 40 GCAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(NS(C)(=O)=O)CC1 11717893 GURXATXLFWAFPY-SNVBAGLBSA-N 381.458 0.197 0 40 GCAB COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 12199571 ZFUCFMSOQCFTDW-UHFFFAOYSA-N 380.422 0.914 0 40 GCAB CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 12901434 JFGKMNHGEQRGDZ-UHFFFAOYSA-N 379.438 0.689 0 40 GCAB O=C(C1CC1)N1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 12911464 LMZISLXKKYBMLB-UHFFFAOYSA-N 393.509 0.762 0 40 GCAB Cc1cccn2c(=O)cc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc12 22785892 JYAGHAUPGVHIHX-INIZCTEOSA-N 376.482 0.308 0 40 GCAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23289892 QKJUABACZRTGHR-CRAIPNDOSA-N 397.516 0.678 0 40 GCAB NC(=O)c1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CCC2 35286958 CXVBRRNIBCKANH-UHFFFAOYSA-N 376.482 0.828 0 40 GCAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccco1 72326166 SSUIWOMFYXWXJL-LJQANCHMSA-N 383.408 0.855 0 40 GCAB O=C1COc2ccc(S(=O)(=O)N[C@H]3CS(=O)(=O)c4ccccc43)cc2N1 89857838 SFPHFVYAAVYFQN-ZDUSSCGKSA-N 394.430 0.824 0 40 GCAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)O)c(C)c1N(C)S(C)(=O)=O 95116966 JYUHDZUKQPGDOR-UHFFFAOYSA-N 378.472 0.761 0 40 GCAB CCn1cnnc1CNC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 95444199 XLAMUWPFNWUHEL-CYBMUJFWSA-N 381.481 0.648 0 40 GCAB COc1ccc(NC(=O)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)cn1 95455034 XPLZKNWXWWWIIU-AWEZNQCLSA-N 377.422 0.931 0 40 GCAB Cc1cc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(Cl)cc1F 95461693 DNIMHHSVFVWALH-SNVBAGLBSA-N 399.897 0.981 0 40 GCAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1F 95461732 GNVSGFJGCGLMAR-JTQLQIEISA-N 379.435 0.226 0 40 GCAB CCn1ncc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C 102628362 RXPBIVTWLKPDDB-TUVASFSCSA-N 398.423 0.864 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(CCS(=O)(=O)CC[C@]516)[C@H]2[C@@H]43 104287476 FGRJPSMYCYTGIC-KIEAQODYSA-N 397.456 0.597 0 40 GCAB C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107133947 FPIDJNWAPXFAQV-XWSJACJDSA-N 392.544 0.404 0 40 GCAB CC(=O)Oc1ccccc1C(=O)OCCOCC(=O)OCCOCC(=O)O 253489484 FJTUQERQBYBDEL-UHFFFAOYSA-N 384.337 0.430 0 40 GCAB CN(C)C(=O)COCC[C@@H]1CCOC12CCN(S(=O)(=O)N(C)C)CC2 585104955 MTAGOBKCNSLVLR-CQSZACIVSA-N 377.507 0.159 0 40 GCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)c1 1565523367 MFKUDFRGWPGURC-OAHLLOKOSA-N 398.481 0.967 0 40 GCAB Cn1cnc(C(=O)N2Cc3ncnn3C[C@H](C(=O)NCc3cccs3)C2)n1 1565547513 JSYSNMOWJOGOGN-LLVKDONJSA-N 386.441 0.057 0 40 GCAB C[C@]1(C(=O)N2CCn3c(nc(CNS(C)(=O)=O)cc3=O)C2)CC=CCC1 1614937317 MWSUTXFFZLJKFR-KRWDZBQOSA-N 380.470 0.381 0 40 GCAB Cn1cc(N2CCC(Nc3nccc(C(F)(F)F)n3)CC2)c(=O)n(C)c1=O 1889089308 KAHWUNSVEJVPAW-UHFFFAOYSA-N 384.362 0.974 0 40 GCAB Cc1cc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)nc(N(C)C)n1 2086887064 VGKLHSOMZNRVGI-IYBDPMFKSA-N 376.505 0.609 0 40 GCAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O 4354364 MZKJRCQSMFAOCW-STQMWFEESA-N 384.477 0.518 0 40 GCAB C[C@@H]1CN(C(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 4942244 YJTYJWIMOGPYOX-GHMZBOCLSA-N 378.454 0.360 0 40 GCAB CO[C@@H]1O[C@H]([C@@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5047995 SNCROMAUUJJJEB-QLHNQVCCSA-N 376.358 0.104 0 40 GCAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc2c(c1)OCO2 6395266 YORYFVIJXPXCCG-AWEZNQCLSA-N 385.376 0.817 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nc2nccc(C)n2n1 13074829 TXRUIARXVVFJEA-UHFFFAOYSA-N 390.425 0.944 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1C 14694563 PRCMMDSENHYWNE-UHFFFAOYSA-N 390.465 0.544 0 40 GCAB Cc1cccn2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)nc12 19719211 CDIKUWULQWSYNH-UHFFFAOYSA-N 377.470 0.741 0 40 GCAB CNC(=O)c1cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)nc2ccccc12 19762823 CMBVVEMEJGECPG-MRXNPFEDSA-N 378.454 0.774 0 40 GCAB COc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1OC(F)F 25204232 USNJJGPGOVXAPC-UHFFFAOYSA-N 393.412 0.861 0 40 GCAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)o1 40153020 QSCHSQMMQDGSAK-UHFFFAOYSA-N 393.487 0.074 0 40 GCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NC[C@H]1CCCO1 61719741 DXELUGQLCRSRBV-CYBMUJFWSA-N 391.815 0.982 0 40 GCAB CCN(C(=O)COC(=O)c1nc(C)n2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 79100778 GZSRZDGFUWEESG-CYBMUJFWSA-N 383.470 0.720 0 40 GCAB COC(=O)C1CCN(C(=O)CN2CCOC[C@@H]2CC(=O)c2ccco2)CC1 89396603 BQQYJRQHQSJDEF-HNNXBMFYSA-N 378.425 0.965 0 40 GCAB CC(C)CS(=O)(=O)N1C[C@@H]2[C@H](C1)c1nc(N(C)C)ncc1CS2(=O)=O 96251921 FHWQSZPYZZERRK-QWHCGFSZSA-N 388.515 0.225 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@@H]1C(=O)N(C)C 257274355 NKQXNVGACZAIEB-GFCCVEGCSA-N 389.378 0.358 0 40 GCAB Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2n1C 257283088 OWSNXSHTKRMQON-LSBZLQRGSA-N 385.468 0.325 0 40 GCAB CN1C[C@@]2(CCN(C(=O)c3ccnn3C)C2)Oc2ccccc2S1(=O)=O 306139350 SVAFWXTVDFXZKO-QGZVFWFLSA-N 376.438 0.718 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1S(C)(=O)=O 1565542225 JUYCFBOGFUYFTG-GFCCVEGCSA-N 387.458 0.586 0 40 GCAB CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1 4876526 SJKJUNSBEURFKE-CSKARUKUSA-N 397.453 0.664 0 40 GCAB COC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 5272519 UAUTVEUQBRGCIP-UHFFFAOYSA-N 380.422 0.633 0 40 GCAB Cn1ccnc1[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 12575939 ZXNLGHZRPAJUGI-MRXNPFEDSA-N 395.398 0.908 0 40 GCAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cccnc2)n1N 12633358 CENPEMOAYOWIFN-UHFFFAOYSA-N 375.439 0.945 0 40 GCAB COC[C@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19456626 GRHKCPALEJREIA-XOBRGWDASA-N 389.452 0.711 0 40 GCAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@]2(C[C@@]1(C)O)NNC(=S)N2 35323720 JAOODCGAHPLYJW-HXHAXSGFSA-N 393.465 0.182 0 40 GCAB CC(C)[C@H]1NC(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 40067375 PXXLREINXJQNCR-SJLPKXTDSA-N 388.468 0.580 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@H](C)O1 40081086 MTJSQPAGVMJCGZ-GJZGRUSLSA-N 399.488 0.866 0 40 GCAB O=C(Cn1cc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cn1)NCCO 95455343 XMTHNVWJEXBUOS-UHFFFAOYSA-N 398.423 0.765 0 40 GCAB CCOc1cccnc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95999039 YAOPOWGRUHQZPC-CQSZACIVSA-N 383.470 0.747 0 40 GCAB Cc1nnc2c(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nccn12 225799382 HPJYGULIUHYEMM-UHFFFAOYSA-N 393.407 0.689 0 40 GCAB CCS(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 306123658 ATFZHZGFBXHLDE-HUUCEWRRSA-N 389.481 0.662 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@@H](c1ccccc1)C(F)F 626572678 SZXKRHAYCWNODB-OLZOCXBDSA-N 377.413 0.952 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cccc(OC(F)F)c2)c(=O)n(C)c1=O 3294987 FSCZWDOXMQMSIW-UHFFFAOYSA-N 383.307 0.307 0 40 GCAB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 3378388 FJPRUOLRIYRCKJ-BTKRWWFXSA-N 381.406 0.333 0 40 GCAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 7346135 KUNRRMDZKPUPAV-CYBMUJFWSA-N 396.494 0.210 0 40 GCAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)NCc2ccco2)nc1N 10021585 KMYIBHZBBDWSRZ-UHFFFAOYSA-N 394.409 0.780 0 40 GCAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)NCCn1cccn1 12085588 VJBGVJGWDZGTEY-FQEVSTJZSA-N 396.451 0.564 0 40 GCAB COc1ccc([C@@H]2C[C@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)cc1OC 12129880 KVCNAYWGQQQAGM-UONOGXRCSA-N 383.470 0.906 0 40 GCAB CNC(=O)C(=O)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 12793975 JVGBBRLOGWHMSC-UHFFFAOYSA-N 385.420 0.753 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc2c(c1)OCO2 13675170 GQXHTXLOKSEERV-UHFFFAOYSA-N 383.470 0.783 0 40 GCAB Cc1cc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1C[C@H]1CCCO1 13985742 KSIPBGPGNPSJHH-CQSZACIVSA-N 389.408 0.560 0 40 GCAB COc1ccccc1Cc1nnc(NC(=O)CCN2C(=O)COCC2=O)s1 19658211 VPCHZKQHUGWSGM-UHFFFAOYSA-N 390.421 0.852 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 22190163 POGAHCGVBATKPS-UHFFFAOYSA-N 399.469 0.526 0 40 GCAB C[C@H](C(=O)N[C@H]1CCCNC1=O)N1C(=O)c2ccc(Br)cc2C1=O 50635175 JUBHJWSGEQKLRX-PELKAZGASA-N 394.225 0.828 0 40 GCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204807 SOYMDWLMOCJHRF-INIZCTEOSA-N 390.415 0.804 0 40 GCAB COCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2)c(N2CCOCC2)n1 67219804 DDNABGOYPGACGP-UHFFFAOYSA-N 388.424 0.874 0 40 GCAB NC(=O)c1ccc(N2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc1 67774018 PEFMMRKIXKUXQF-LJQANCHMSA-N 380.408 0.527 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100413 IKOVHCZPRFZWFI-VIFPVBQESA-N 375.332 0.598 0 40 GCAB CCCN(CC(=O)NC)Cc1nc(CC)cc(N(CCC)CC(=O)NC)n1 84755249 JGUFSQQKOUHMTL-UHFFFAOYSA-N 378.521 0.959 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cccnn3)CC2)CC1 257232559 GLJPBRIRMAENTP-IBGZPJMESA-N 375.473 0.434 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)c1 408550994 GOXXZXQSNKGWEC-CYBMUJFWSA-N 386.470 0.603 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)c2cccc3nsnc23)nc(N(C)C)n1 575608529 VAELLDPCWLBGOY-UHFFFAOYSA-N 394.486 0.487 0 40 GCAB COc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 585291048 INEOYJJRXMXELP-MOPGFXCFSA-N 392.477 0.581 0 40 GCAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)CC(C)(C)CC(=O)O)C2)C1 604382393 QGLNAGAZDROKDI-OAHLLOKOSA-N 395.500 0.657 0 40 GCAB biogenic,in-vitro CS(=O)(=O)NC1CC(NS(=O)(=O)c2cccc3c2OC(F)(F)O3)C1 668197003 ZWTWACDNGVDORK-UHFFFAOYSA-N 384.382 0.367 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(CC2=CCCOC2)CC1 2055746018 AGRGGGODRBDKTG-UHFFFAOYSA-N 377.489 0.198 0 40 GCAB Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)NCC(=O)O)c(=O)c2ccccc21 4087150 ZNGQPWORJXNFBO-INIZCTEOSA-N 381.388 0.685 0 40 GCAB biogenic Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CC2)c1 4357632 FPTDJLUJGOZOGA-INIZCTEOSA-N 395.481 0.435 0 40 GCAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 4386261 DOINQVIZCNQCKD-CYBMUJFWSA-N 387.440 0.994 0 40 GCAB OC[C@@H]1O[C@@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O 4916581 VCRUCRQMQNMLHN-MZXFEWSRSA-N 392.412 0.869 0 40 GCAB CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2F)[C@H](C(N)=O)N2C=C(C(N)=O)C=C[C@H]21 5326195 RRLSWKYRRUHRJB-ZFCANOHDSA-N 398.394 0.459 0 40 GCAB C[C@H](OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(N)=O 9093317 FMVLDFNKCYRFQX-JTQLQIEISA-N 382.442 0.173 0 40 GCAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1n[nH]c(N)n1 12822966 UWSQPMPMDSIOMM-UHFFFAOYSA-N 399.502 0.434 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1OC 16187825 NRTGIVHGBQWNOG-UHFFFAOYSA-N 396.469 0.727 0 40 GCAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c2C)no1 16695190 XXOSDOUBXRGMNW-ZDUSSCGKSA-N 395.437 0.851 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 24688699 PYYUDFDEKLHVQW-ZDUSSCGKSA-N 389.499 0.139 0 40 GCAB COc1ccc(CC(=O)N2CCC3(CC2)O[C@H](C(N)=O)Cn2ccnc23)cc1 96144776 TYPXAKYTDDJBRI-INIZCTEOSA-N 384.436 0.836 0 40 GCAB Cc1n[nH]c(SCCNC(=O)c2sc(NS(C)(=O)=O)nc2C)n1 225876008 FQJYFKGYEORRBV-UHFFFAOYSA-N 376.489 0.772 0 40 GCAB CC(=O)Nc1ccc(CN2CCOC[C@@]3(Cc4c(N)nc(N)nc4O3)C2)cc1 257286670 PMMAJUGXYYYYEH-LJQANCHMSA-N 384.440 0.806 0 40 GCAB Cc1oc([C@@H]2OC[C@@H](O)[C@H]2O)cc1C(=O)NCCCNC(=O)c1ccccn1 257313236 URMZTMVFBKEHBM-OIISXLGYSA-N 389.408 0.326 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1 1776009292 ZSRAXIXWVYGTRN-UHFFFAOYSA-N 376.364 0.740 0 40 GCAB Cc1cc(OCC(=O)NCC(=O)NCC(=O)O)c2c(C)c(C)c(=O)oc2c1 2092071 OORNXEUTFWNWBH-UHFFFAOYSA-N 376.365 0.414 0 40 GCAB biogenic CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 3017359 YDWVKHFFQMFYMM-CQSZACIVSA-N 383.470 0.211 0 40 GCAB COCCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 4518889 WYHGNUVDCBJJGN-OAHLLOKOSA-N 380.422 0.673 0 40 GCAB CCOC(=O)N1CCN(C(=O)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 6669448 VBKLOWKVBMSMFU-UHFFFAOYSA-N 394.453 0.575 0 40 GCAB Cc1ccc(N2CCn3c2nnc(C(=O)NCCCN2CCCC2=O)c3=O)cc1 12233816 WWKBELMHJFWQHN-UHFFFAOYSA-N 396.451 0.841 0 40 GCAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CN1CSCC1=O 12766413 BNCSFRZIJCPTDB-UHFFFAOYSA-N 385.467 0.607 0 40 GCAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2(C(N)=O)CC2)C1=O 79104399 MGGCIOZRUFUPSS-LJQANCHMSA-N 380.404 0.741 0 40 GCAB C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCN1C 95457647 ASIFQSRBGDSLJE-CHWSQXEVSA-N 375.516 0.650 0 40 GCAB CCn1ncc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C 101591185 RXPBIVTWLKPDDB-AJNGGQMLSA-N 398.423 0.864 0 40 GCAB COCCN1C(=O)CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 253403171 PLHCQEGKLDMMSQ-UHFFFAOYSA-N 381.454 0.750 0 40 GCAB COC(=O)C12CC(C(=O)NCc3nn(C)cc3I)(C1)C2 592636072 KTOBDGZNMXJKRH-UHFFFAOYSA-N 389.193 0.984 0 40 GCAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 828773 CCDLKASKJVKJNQ-NSHDSACASA-N 376.438 0.975 0 40 GCAB CCc1ccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 3372853 LHNYWSRMGHEAPA-UHFFFAOYSA-N 375.381 0.034 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)CCC(=O)O)CC2)cc1 4393836 PKPGFHUJSGRVTD-UHFFFAOYSA-N 384.454 0.709 0 40 GCAB O=C(COc1ccccc1)NCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7238939 RNNOUGOMANXARE-UHFFFAOYSA-N 398.371 0.939 0 40 GCAB O=C1COc2ccc(S(=O)(=O)NC3CCN(C(=O)C4CC4)CC3)cc2N1 12187944 NADIFLRIMKPXSW-UHFFFAOYSA-N 379.438 0.697 0 40 GCAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ncnc2nc[nH]c12 12925293 SWTFAWZQXSIHDG-QMMMGPOBSA-N 379.336 0.773 0 40 GCAB O=C(CSc1nncn1CC(=O)NCC(F)(F)F)NCC(F)(F)F 12974790 TYHMKCRRYVOPIP-UHFFFAOYSA-N 379.286 0.727 0 40 GCAB CCN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 13527903 HEUXNBUENLULMX-GFCCVEGCSA-N 392.433 0.721 0 40 GCAB CC[C@H](NC(=O)CN1C(=O)N[C@@H]2[C@@H]1N(C)C(=O)N2C)c1ccc(OC)cc1 19500488 DOTZIJGHDXNKEW-CWRNSKLLSA-N 375.429 0.937 0 40 GCAB Cc1nc(NCCNS(=O)(=O)c2c(C)noc2C)cc(-n2cccn2)n1 23144531 GJVGFQILYHIITQ-UHFFFAOYSA-N 377.430 0.966 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(F)cc1F 24911861 TUPFGKLSPYENRE-GFCCVEGCSA-N 390.408 0.495 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26843299 YFQIMANDJLPALW-AWEZNQCLSA-N 376.457 0.810 0 40 GCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33053255 LOULCJRKWRYAQC-UHFFFAOYSA-N 377.422 0.892 0 40 GCAB O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(C(=O)c2cccs2)C1 40088545 CUDUVTZKMWCPNR-AWEZNQCLSA-N 399.538 0.447 0 40 GCAB CN(C)C(=O)Cc1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 40145446 MISYIVBFLXNFJU-UHFFFAOYSA-N 395.419 0.515 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1ccccc1 49410544 JNLKUIVYIMXDAD-UHFFFAOYSA-N 377.422 0.508 0 40 GCAB Cc1cc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n([C@@H]2CCS(=O)(=O)C2)n1 58007154 BLERDMLVUNKPMO-WQGACYEGSA-N 398.510 0.944 0 40 GCAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1 58298483 NDJDLXOQIWBOIR-ZJUUUORDSA-N 376.381 0.152 0 40 GCAB O=S(=O)(Nc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 95950219 KJXOVYOYPHWMGU-UHFFFAOYSA-N 383.451 0.903 0 40 GCAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NC(C)C 100889030 RLHUMNTZYRBCPR-UHFFFAOYSA-N 396.440 0.948 0 40 GCAB COc1cc(Br)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)cc1OC 108153548 OZZQALDIKTUUOU-IUCAKERBSA-N 396.259 0.583 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](Oc4cnccn4)C3)cc21 225797488 WQRUZZQZWVWANU-NSHDSACASA-N 376.394 0.764 0 40 GCAB CCOc1ccccc1CCC(=O)N1CC(S(=O)(=O)c2nncn2C)C1 252540556 PMIIHSFKHRULCI-UHFFFAOYSA-N 378.454 0.831 0 40 GCAB CN1C[C@]2(CCN(C(=O)c3ccnn3C)C2)Oc2ccccc2S1(=O)=O 306139349 SVAFWXTVDFXZKO-KRWDZBQOSA-N 376.438 0.718 0 40 GCAB O=S1(=O)CC[C@H](N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2)C1 575420333 AWFXEFMKLMOGLW-BETUJISGSA-N 393.508 0.052 0 40 GCAB Cn1cc(CN2CCN(C(=O)CO)CC2)c(-c2ccc3c(c2)OCCCO3)n1 585081473 UZLYFSFIBPYAKK-UHFFFAOYSA-N 386.452 0.885 0 40 GCAB Cc1noc(CC(=O)N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 585108687 ZQOPLNGQMIXBGA-OAGGEKHMSA-N 385.424 0.780 0 40 GCAB CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1CCOCC1 585152198 ACTKLAWCIHAYNJ-GXTWGEPZSA-N 379.394 0.537 0 40 GCAB CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1cnc[nH]1 585593554 FSJNUOADMJSTNC-UHFFFAOYSA-N 388.457 0.624 0 40 GCAB COCCN1C(=O)C[C@H](CNC(=O)N2CCC3(COC3)C2)[C@H]1c1cnn(C)c1 665313269 GCDBSCORNDDNSL-PBHICJAKSA-N 391.472 0.388 0 40 GCAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(S(=O)(=O)c3ccccc3)C[C@@H]12 1549163175 ZZOIUSRNCPGGPH-OAHLLOKOSA-N 391.449 0.503 0 40 GCAB CC(C)CN1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)[C@@]2(CCNC2=O)C1 1565547109 FLGPCGSJETWCHS-WCLQXYBISA-N 375.513 0.966 0 40 GCAB COC[C@@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)CN1S(C)(=O)=O 1614946912 PKIACZRGKNJTEM-INIZCTEOSA-N 396.513 0.698 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(c5ncc(F)cn5)C[C@@H]4C3)ncnc21 1888906693 NQTVCBMTKGGSOQ-STQMWFEESA-N 384.419 0.974 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccc(OC)nn5)C[C@@H]4C3)nn12 1888914066 RYXLHVZAPDZSPB-STQMWFEESA-N 394.439 0.694 0 40 GCAB Cn1c(=O)c2c(nc(NCCO)n2Cc2c(F)cccc2Cl)n(C)c1=O 1869250 NEJDUNIOTZVWNS-UHFFFAOYSA-N 381.795 0.679 0 40 GCAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)cc2oc1=O 2091935 UDGFVHSSANODGZ-NSHDSACASA-N 376.365 0.494 0 40 GCAB biogenic Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC(C)C)cc1 7737776 OEOMRYWEIIVBJG-CMDGGOBGSA-N 397.453 0.663 0 40 GCAB CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)Cn1c(C)csc1=O 8172249 MXWHHXCHXAGIBO-SDQBBNPISA-N 386.451 0.741 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1 12088692 VVBAIJYMBXKBSR-LSDHHAIUSA-N 378.458 0.020 0 40 GCAB COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 12131360 YKUKRFDVQPRONU-HOTGVXAUSA-N 393.469 0.955 0 40 GCAB COC(=O)c1c(NC(=O)CN2CCN(CCO)CC2)c2cc(C)ccc2n1C 20533515 UEROYMPZJBMHAP-UHFFFAOYSA-N 388.468 0.822 0 40 GCAB COC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C34)[C@H]2C1=O 32597824 FPRPJYTYDKSJPK-YJTNHKJSSA-N 378.431 0.718 0 40 GCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cccc(-n2cnnn2)c1 38488865 QFMNWTRYCSJBAD-UHFFFAOYSA-N 377.364 0.909 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)C1 65607996 NXVUAHQGVJBXSZ-HUUCEWRRSA-N 395.481 0.671 0 40 GCAB Cc1nc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)sc1Br 79062714 KMIHDVLFAWRBJC-UHFFFAOYSA-N 397.320 0.442 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)c1 585322988 RHZCXGHBUFHOSC-UHFFFAOYSA-N 383.451 0.470 0 40 GCAB NC(=O)C[C@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1OC(=O)c1ccccc1 643586814 DNRQYEGKJUBURZ-JKSUJKDBSA-N 387.436 0.558 0 40 GCAB CC(=O)N[C@H]1c2nccn2CCC12CCN(C(=O)CCS(C)(=O)=O)CC2 1614936381 KZEMVZWBFCMTGJ-HNNXBMFYSA-N 382.486 0.508 0 40 GCAB CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 8944920 FNHYCJNFAJIUPY-UHFFFAOYSA-N 381.498 0.921 0 40 GCAB COCCNC(=O)CN1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1 19752104 YNBJUJFXPXRDJA-MRXNPFEDSA-N 391.472 0.157 0 40 GCAB CCCNC(=O)[C@@H](C)NC(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCC)n1 46670967 RITGHAHCVUBMIQ-CHWSQXEVSA-N 391.472 0.371 0 40 GCAB C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 57369658 JLOYTZPZROZBLP-GFCCVEGCSA-N 391.449 0.857 0 40 GCAB CC(C)NC(=O)CN(C)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 89936723 VVARBSOWZCPDOQ-HUUCEWRRSA-N 390.550 0.261 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 96104228 ZDANUTGMZJKODV-UHFFFAOYSA-N 396.437 0.279 0 40 GCAB COC(=O)C(=O)[C@@H](C(=O)c1cccc2ccccc12)C1=Nc2nnc(N)n2C1=O 104247173 WEFCVDUSCSHBBM-GFCCVEGCSA-N 391.343 0.981 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)NCCSc2nc(C)n[nH]2)ccc1OC 222902178 ZIMXTSWJPGHRTC-UHFFFAOYSA-N 385.471 0.552 0 40 GCAB COc1cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(C(C)=O)cc1OC 223285025 AOCFMGODSHWZIS-UHFFFAOYSA-N 383.382 0.392 0 40 GCAB CS(=O)(=O)N[C@@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O 257308022 TVCSZXDGRQZUCI-IAGOWNOFSA-N 380.470 0.056 0 40 GCAB COc1ccccc1CNC(=O)C(=O)NCC1CCN(C(=O)N(C)C)CC1 390832520 ZXHMEZQIVWBTSP-UHFFFAOYSA-N 376.457 0.821 0 40 GCAB C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709479 BETMIMYJKJGERE-LBPRGKRZSA-N 399.403 0.781 0 40 GCAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)CC1=O 1565553513 BLJFBPWOQAULHJ-QGZVFWFLSA-N 383.470 0.677 0 40 GCAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 2134570 YRDPMULDSPSFAW-JTQLQIEISA-N 376.365 0.440 0 40 GCAB biogenic COc1ccc(CCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 2398625 QVCNGMLWKVTRSC-UHFFFAOYSA-N 398.467 0.426 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2C)n(C)c1=O 4249418 LYDICMULOYCUSR-UHFFFAOYSA-N 383.408 0.920 0 40 GCAB CCOC(=O)N1CCN(C(=O)CSc2nc(=O)n3ccc(C)cc3n2)CC1 4503765 MHOIVNLVAMSJLF-UHFFFAOYSA-N 391.453 0.791 0 40 GCAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NC1CC1 6429011 HIKTZQFMQWQAQR-UHFFFAOYSA-N 386.401 0.282 0 40 GCAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8156530 UXHKSYOXKOKYQL-CQSZACIVSA-N 395.412 0.821 0 40 GCAB O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1 8253947 IBQJQVFJCZATNU-ZACQAIPSSA-N 382.468 0.909 0 40 GCAB biogenic,in-vitro COc1ccccc1CNC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 8277147 FDXPZMOUEKMMDH-UHFFFAOYSA-N 385.424 0.539 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O 8654388 MAYATRRZWLRLJV-UHFFFAOYSA-N 399.407 0.620 0 40 GCAB CCOC(=O)C1=C(CN2C[C@H](C(=O)OC)Oc3ccccc32)NC(=O)N[C@@H]1C 12539797 PNVSLMPJVSHLTF-IAQYHMDHSA-N 389.408 0.946 0 40 GCAB NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)O)c2)cc1 13249060 UMGMTOCFONXHEW-UHFFFAOYSA-N 384.435 0.652 0 40 GCAB CCCn1c(N)c(C(=O)COC(=O)Cc2c(C)noc2C)c(=O)n(C)c1=O 21493479 QVJGVWZWPBNTPH-UHFFFAOYSA-N 378.385 0.113 0 40 GCAB CC(C)CNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228101 ZOLYVTHKEYTQKP-UHFFFAOYSA-N 397.497 0.138 0 40 GCAB O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3COc4ccccc4C3)cc2[nH]c1=O 23404579 FBLYNPQELAEFNH-NSHDSACASA-N 387.417 0.746 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)Cc2cc(C)on2)c1 25137361 SAULLOACYMYWKO-UHFFFAOYSA-N 396.469 0.834 0 40 GCAB O=c1[nH]c2ccc(S(=O)(=O)NCc3ccnc(-n4cccn4)c3)cc2[nH]c1=O 26838710 NTOJCFXOOBVLIX-UHFFFAOYSA-N 398.404 0.276 0 40 GCAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 32641436 AQHJUPSRPLUUOF-JSGCOSHPSA-N 399.465 0.824 0 40 GCAB CC(C)CN(C(=O)CN1CCN(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 32652260 AASNQDZCRSJOEB-KRWDZBQOSA-N 394.541 0.875 0 40 GCAB COCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 36709103 WOEYXDSGCBIMLK-UHFFFAOYSA-N 384.502 0.392 0 40 GCAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cccc2ccccc12 62725322 BLLDREJCXJOWEZ-MDMHHNQBSA-N 389.404 0.733 0 40 GCAB C[C@H](NC(=O)C[C@H]1OCCc2ccsc21)C(=O)N1CCS(=O)(=O)CC1 67279169 FWKWFLILULXJLD-WCQYABFASA-N 386.495 0.514 0 40 GCAB Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C2=O)n(C)n1 89591796 FLPAKLOMKMSFJG-SWLSCSKDSA-N 395.419 0.635 0 40 GCAB COc1cc(F)c(S(=O)(=O)N2CCC(N(C)CCO)CC2)cc1OC 95950853 DYGOETMUPFOUQA-UHFFFAOYSA-N 376.450 0.920 0 40 GCAB Cc1nn(C)c2ncc(NC(=O)N3CC(S(=O)(=O)N4CCOCC4)C3)cc12 95999364 ULUMISHRFFEUEZ-UHFFFAOYSA-N 394.457 0.155 0 40 GCAB Cn1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 96120534 DROQVIZFOISDQD-UHFFFAOYSA-N 399.498 0.194 0 40 GCAB O=C(NCCN1CCOCC1)C1=NO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 96225694 AEVZPVOBIWUDMG-FQEVSTJZSA-N 390.459 0.995 0 40 GCAB COC[C@H]1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O 585103925 WCHWHFNKJTXWBS-GFCCVEGCSA-N 388.515 0.892 0 40 GCAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)NC4CS(=O)(=O)C4)OC[C@H]3C2)n1 585109492 UICGVCIYHNOPJH-BMFZPTHFSA-N 394.497 0.238 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNc2nccc(N3CCOCC3)n2)cc1 676306016 WRLKEJCQQXRKHL-UHFFFAOYSA-N 377.470 0.975 0 40 GCAB Cn1cccc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)c1=O 1565555833 QOWLCLXBASLPKA-OXQOHEQNSA-N 376.453 0.917 0 40 GCAB Cn1ccnc1[C@@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@H]1NC(=O)C1CC1 1615545882 CUILGOYTKCVCCP-TZMCWYRMSA-N 395.423 0.531 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1889175227 IRNYLLRKZQOENJ-UHFFFAOYSA-N 395.471 0.625 0 40 GCAB CCOC(=O)CCn1cc(Br)c(=O)n(CC(=O)OCC)c1=O 2317075 RGDYTFLJAFELOZ-UHFFFAOYSA-N 377.191 0.289 0 40 GCAB COCCOC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OC)=C(N)Oc1ccccc12 4517069 MXWFJMVDHJCSLN-LJQANCHMSA-N 388.376 0.254 0 40 GCAB O=C(C[C@H](NCCOCCO)C(=O)O)Nc1ccc(Br)cc1 10186518 RCGHWAKDKFHTHN-LBPRGKRZSA-N 375.219 0.829 0 40 GCAB Cc1ccc(N2C[C@H](C(=O)N3CCCN(S(C)(=O)=O)CC3)CC2=O)cc1 24776102 JBJFPRYDSFFNGU-OAHLLOKOSA-N 379.482 0.842 0 40 GCAB CNC(=O)CN(c1ccccc1C(=O)NC)S(=O)(=O)c1ccc(OC)cc1 32814706 ZFXXGGDJPJCTGY-UHFFFAOYSA-N 391.449 0.996 0 40 GCAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCn1nnc2ccccc2c1=O 32836814 WLLRPPLLAXPVAE-QGZVFWFLSA-N 377.404 0.620 0 40 GCAB Cn1c(SCC(=O)NCC(F)(F)F)nc2cc(S(N)(=O)=O)ccc21 32946606 URSUYNKVDDMCCP-UHFFFAOYSA-N 382.389 0.991 0 40 GCAB COc1ccc([C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)N2CCOCC2)cc1 39996837 KKLKEUCNLUJWJI-NVXWUHKLSA-N 382.482 0.619 0 40 GCAB COCCN(CC(=O)N(C)C)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 40122167 SXFVZYQNVKXCIA-CQSZACIVSA-N 377.441 0.754 0 40 GCAB CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 42497592 XPPPELBKGNZQCD-AWEZNQCLSA-N 383.518 0.168 0 40 GCAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc2ccccc2c1 62725331 FRTSLPFLUVGQPA-KNJMJIDISA-N 389.404 0.733 0 40 GCAB CN(C)C(=O)[C@]12CCCN(C(=O)c3cnccn3)C[C@H]1CN(c1ncccn1)C2 96056112 SOZMOMROUZWILC-YWZLYKJASA-N 395.467 0.714 0 40 GCAB C[C@@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@@H](c3ccccc3O1)[C@H]2C(N)=O 107049346 BWUUVSVHEFXEOT-QYLHCURRSA-N 381.413 0.764 0 40 GCAB Cn1cc(-c2cccc([C@@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)cn1 257328677 XGRKQBPIXYUPMJ-KRWDZBQOSA-N 393.469 0.432 0 40 GCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1nccs1)CC2 1772595457 YSBPOUWOHYMYIL-CQSZACIVSA-N 393.513 0.180 0 40 GCAB CN(C)CCN1C[C@H]2[C@H]3CN(C(=O)[C@H]4CC[C@H](C)CC4)C[C@@H](O3)[C@H]2S1(=O)=O 2055738992 FZBBZKVRCVEHQV-WEVKCVHISA-N 399.557 0.614 0 40 GCAB Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2c3c(c(=O)oc12)CCCC3 4073807 HRYHUWQMTPEFOJ-ISIBIEBGSA-N 392.404 0.159 0 40 GCAB biogenic CCOC(=O)N1CCN(C(=O)CSc2nc(=O)n3cc(C)ccc3n2)CC1 4499815 OWQAGYHBZPCKIC-UHFFFAOYSA-N 391.453 0.791 0 40 GCAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 6879900 ULLMXOVVHWFQEN-OAHLLOKOSA-N 389.452 0.803 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2cnc3sccc3c2=O)cc1 7814442 OZNXZFAABPAIJQ-UHFFFAOYSA-N 392.462 0.464 0 40 GCAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1C 8652093 MNGUOKAGEXYJNH-LLVKDONJSA-N 396.451 0.787 0 40 GCAB CN(C)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12637275 FIIIRGNZBPLQPW-CQSZACIVSA-N 378.454 0.857 0 40 GCAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)CC(=O)N2CCCC2)c1C 12988138 IHFJTBRHRFPXHD-UHFFFAOYSA-N 382.486 0.444 0 40 GCAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)Cn3cccnc3=O)C2)n1 19739093 XDIYPHXIFISAMU-KRWDZBQOSA-N 396.495 0.715 0 40 GCAB COc1ccc(N2C[C@H](NC(=O)NCCCN3CCOCC3)CC2=O)cc1 22664494 VKDGFWMFTYKCRO-OAHLLOKOSA-N 376.457 0.822 0 40 GCAB C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 25077598 WFEIXVGQSZGHJB-OAHLLOKOSA-N 397.479 0.957 0 40 GCAB biogenic CN(C)S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 30836418 MYYLBBLMYAJFHS-UHFFFAOYSA-N 391.515 0.636 0 40 GCAB Cc1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)on1 32830119 GKFJVWJEGFDJRW-UHFFFAOYSA-N 381.410 0.824 0 40 GCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NC3CC3)c(Br)cc21 36646395 AUOOGHKPMCDUHK-UHFFFAOYSA-N 388.243 0.440 0 40 GCAB Cc1cccc(N2CCN(C(=O)c3snc4c(=O)n(C)c(=O)[nH]c34)CC2)c1 49409786 KJHDMZGKEPLTEA-UHFFFAOYSA-N 385.449 0.954 0 40 GCAB Cn1c(=O)n(C)c2cc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccc21 58190762 RCOMRXJYLPODHG-UHFFFAOYSA-N 379.376 0.519 0 40 GCAB Cc1nnc2ccc(N3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)nn12 106094740 ICITWUYJUABUPD-UHFFFAOYSA-N 391.435 0.851 0 40 GCAB Cn1nnnc1COc1cccc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 226747034 JPVHIUHDWMUILN-CQSZACIVSA-N 384.440 0.920 0 40 GCAB CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1[C@@H](c1ccccc1)N(S(C)(=O)=O)C2 257235237 GWZYRDPZWYJEDP-KZNAEPCWSA-N 379.482 0.746 0 40 GCAB O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 528542715 QIGYJKOCYMYPAX-INIZCTEOSA-N 377.466 0.870 0 40 GCAB C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CS1(=O)=O 664978340 XUWWAFCUMUMOAM-AGIUHOORSA-N 386.495 0.822 0 40 GCAB CN1CCC2(CCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2CNC(=O)N(C)C)CC1 1565548268 AJAINIRPAMODEC-TWMKSMIVSA-N 378.517 0.853 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2Cc1ccc(Cl)cc1 663115 PECDLQCTBJKZHU-UHFFFAOYSA-N 375.816 0.962 0 40 GCAB O=C(NCCS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc2c(c1)OCO2 4941042 LBBIKIBUVFMFNN-UHFFFAOYSA-N 398.437 0.314 0 40 GCAB COc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C)sc3n2)c1 8605379 PFKIZDTWGVTCNY-UHFFFAOYSA-N 388.405 0.941 0 40 GCAB O=C(NCCNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccncc1 9060002 ZSGNURZMIYHYQY-CQSZACIVSA-N 394.439 0.511 0 40 GCAB C[C@@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)N1CCOCC1 14167691 HTXMOJXONRLZGQ-LLVKDONJSA-N 376.456 0.207 0 40 GCAB COc1cc(C[C@@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@@]2(O)CO)ccc1O 15271292 ZTWZAVCISGQPJH-AQNXPRMDSA-N 392.404 0.884 0 40 GCAB biogenic,in-vitro O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cccnc1N1CCOCC1 31327944 WOLGCFDKXCFZHX-UHFFFAOYSA-N 398.419 0.693 0 40 GCAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2nnc3n2CCCCC3)CC1 55528210 LUZRAXNFTZQTQY-SJORKVTESA-N 390.532 0.806 0 40 GCAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 97013979 YTLATVFEOFRILA-GFCCVEGCSA-N 390.469 0.844 0 40 GCAB O=C(Cn1ncccc1=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220865588 BBGGDODPETWVPP-ZDUSSCGKSA-N 381.396 0.565 0 40 GCAB COc1ccccc1-n1nnc(C(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)c1C 238957102 YBRJSOZBPUYZJH-ZDUSSCGKSA-N 380.408 0.955 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 247545249 UGQDWPIIPYFDAP-ZDUSSCGKSA-N 378.458 0.178 0 40 GCAB CCCn1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(OC)c3)[C@H](O)[C@H]2O)n1 257220168 DJVKYPRPLDJOMG-BDXSIMOUSA-N 375.425 0.973 0 40 GCAB CCc1ncnc(O[C@H]2CCN(C(=O)N3CCN(CC)C(=O)C3=O)C2)c1F 390829206 XFXRLYQPXHOEBB-NSHDSACASA-N 379.392 0.442 0 40 GCAB CC(=O)N1CCC(O)(CN2CCC3(CC2)C[C@@H](N(C)C(C)=O)CCO3)CC1 585282570 HBOQLUPYNXQINE-SFHVURJKSA-N 381.517 0.852 0 40 GCAB C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]12CCN(Cc1cccnc1)C2=O 1614931305 JNKVZEBAOCDMLM-RDTXWAMCSA-N 379.482 0.713 0 40 GCAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 3531271 ODNIJZSDJRYCMK-RDTXWAMCSA-N 393.465 0.537 0 40 GCAB COC(=O)Cn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4930267 PPGUAJKBBWGRMB-VXGBXAGGSA-N 377.445 0.085 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 7216659 GACVLXADMCOEAC-CQSZACIVSA-N 388.511 0.617 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCc3[nH]c4ccccc4c3C2)n(C)c1=O 9899924 QMQVWINTMWWYMX-UHFFFAOYSA-N 392.419 0.500 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1 16187547 XQIVJKRHBLKHAP-UHFFFAOYSA-N 387.433 0.179 0 40 GCAB COc1cc2ncn(CCC(=O)NCCN3CCOCC3)c(=O)c2cc1OC 36358383 FCPNPDNRPAFTGV-UHFFFAOYSA-N 390.440 0.252 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C=O)CC1 47157227 PZJNUDYGSUZNIS-UHFFFAOYSA-N 395.481 0.784 0 40 GCAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1nc(-n2ccnc2)ccc1=O 77196988 DYSUQOUOLZAMNK-GORDUTHDSA-N 379.376 0.987 0 40 GCAB COCC(=O)NC[C@H]1OC[C@@H](N(Cc2ccccn2)Cc2ccccn2)[C@@H]1O 77263713 MISBBAFNUMSYDP-GGPKGHCWSA-N 386.452 0.370 0 40 GCAB biogenic,in-vitro Cc1cc(NC(=O)C(=O)NC[C@H](c2cnn(C)c2)N(C)C)n(-c2ccccn2)n1 95446639 OLFKYZPOICOXCU-OAHLLOKOSA-N 396.455 0.667 0 40 GCAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O 100182016 UGEIRJRXKBCALD-PDXVEVTKSA-N 399.447 0.908 0 40 GCAB COC(=O)CS(=O)(=O)N1C[C@@H](Oc2ccccc2F)C[C@H]1C(=O)OC 225354221 DHPNWOLNHVEZGD-JQWIXIFHSA-N 375.374 0.323 0 40 GCAB CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H]2OC(C)(C)O[C@H]21 257351144 CHPHKXXDQSHQKC-ZZIUEJKTSA-N 382.808 0.616 0 40 GCAB Cn1cc(CN2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cn1 306126851 FHFAZBLJQBRBDT-FQEVSTJZSA-N 393.451 0.129 0 40 GCAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)cc1OC 409119324 SXYRLMGELGEIEE-UHFFFAOYSA-N 393.421 0.720 0 40 GCAB CNS(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 649607694 INEVCJAUNYVERB-SFHVURJKSA-N 396.513 0.344 0 40 GCAB CS(=O)(=O)N[C@@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)C[C@H]1O 2037924073 NWMWZYGHHYYKSI-RTBURBONSA-N 397.541 0.646 0 40 GCAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O 4355603 ORPWHDPCKJWVIC-FRRDWIJNSA-N 384.477 0.517 0 40 GCAB COc1cc(C2=NN(C(C)=O)[C@H](N[C@@H](CO)C(=O)O)C2)cc(OC)c1OC 5457517 WOGIMMGZDYZMLE-WFASDCNBSA-N 381.385 0.030 0 40 GCAB CN(Cc1ccc(F)cc1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6637228 NHMNYESVPJGJTJ-UHFFFAOYSA-N 393.806 0.885 0 40 GCAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 7308492 VVDUSSWCDNQBJM-SECBINFHSA-N 384.273 0.923 0 40 GCAB CC(C)N1C(=O)C(=O)N(CC(=O)NCCc2ccc3c(c2)OCCO3)C1=O 8747699 LMEVFKXSXBGECT-UHFFFAOYSA-N 375.381 0.316 0 40 GCAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(-n2cnnn2)cc1 9388179 VFTPUFTUPFKQDA-UHFFFAOYSA-N 399.388 0.664 0 40 GCAB Cn1ncc2c(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)ncnc21 12796069 YLZKYVYWJAIUSE-UHFFFAOYSA-N 393.407 0.620 0 40 GCAB CN1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](c2ccccc2)C1 12953689 WHIYVJZXHHMEIX-QGZVFWFLSA-N 393.447 0.761 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nccnc3N)CC2)cc1C 14044267 DQHAPCJWTBOYGD-UHFFFAOYSA-N 375.454 0.822 0 40 GCAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 19572660 TVHZNLGJQWDIEU-LBPRGKRZSA-N 380.470 0.204 0 40 GCAB COCCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209758 KRIVIISAYTZTQR-AWEZNQCLSA-N 384.454 0.836 0 40 GCAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2C(=O)OC)CC1 29219108 XRDHHISSKVVIMG-UHFFFAOYSA-N 397.497 0.636 0 40 GCAB NS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCc3ccccc3C2)cc1 58625829 HCDBVNSYANTXCF-UHFFFAOYSA-N 381.479 0.727 0 40 GCAB COc1ccc(N2Cc3nn(CC(=O)NCc4cccnc4)c(=O)n3C2=O)cc1 66091731 LEVXGGBQXHMOHB-UHFFFAOYSA-N 394.391 0.753 0 40 GCAB O=C(CS(=O)(=O)c1nc(CCC2CCCC2)n[nH]1)N[C@H]1CCCCNC1=O 69300344 OLTRPRRYWYQJEQ-ZDUSSCGKSA-N 397.501 0.486 0 40 GCAB CCOc1cc(CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)ccn1 78869756 ZXNIQHHKYYXIFP-UHFFFAOYSA-N 382.442 0.663 0 40 GCAB Cc1nc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(-n2cccn2)n1 90607706 OOQOORLKQURKGV-UHFFFAOYSA-N 388.409 0.636 0 40 GCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ccccn2)CC1 96024734 XOBZWDMYGHQZKZ-UHFFFAOYSA-N 381.454 0.794 0 40 GCAB NC(=O)CCS(=O)(=O)CCN1CCN(Cc2c(F)cccc2Cl)CC1 96301054 QJOJHEZPYSYUJC-UHFFFAOYSA-N 391.896 0.887 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCN2C(=O)c2ccccc2)cc1 97134180 ZXMSAKYOZSWKNC-QGZVFWFLSA-N 387.461 0.907 0 40 GCAB O=C(C[C@H]1CCCO1)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108455665 CWMAYBXRZHWLNZ-GVDBMIGSSA-N 393.509 0.819 0 40 GCAB Cc1noc(-c2ccn3c(CNC(=O)c4cc5n(n4)CCCO5)nnc3c2)n1 225745655 REDBBEKGDNXRND-UHFFFAOYSA-N 380.368 0.997 0 40 GCAB O=c1c2cccnc2nc(O)n1CCNS(=O)(=O)c1c(F)cccc1F 253537686 IOECWBSBYBRLIS-UHFFFAOYSA-N 382.348 0.754 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3cn(C)nc3C(F)(F)F)C[C@@H]12 660937104 FFAHYEVJYDKAMQ-AXFHLTTASA-N 396.391 0.392 0 40 GCAB CN1CCC(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)O)C2)(N2CCCCC2)CC1 1615550117 PKMARRLKLXFSNL-OXJNMPFZSA-N 394.516 0.679 0 40 GCAB Cn1cc(N2CCC(NC(=O)NCc3ccc(F)cc3)CC2)c(=O)n(C)c1=O 1889139385 SJMRAJOCCGRUFC-UHFFFAOYSA-N 389.431 0.691 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnnn1C)n2CCC 9491165 AKILKBQBBCDDDC-UHFFFAOYSA-N 378.462 0.912 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCCN1CCOCC1)n2Cc1ccccc1 13562076 JLNIOLYXEZSQAZ-UHFFFAOYSA-N 398.467 0.606 0 40 GCAB CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 19499775 BGCRWMUPQJQBLW-NWDGAFQWSA-N 382.486 0.450 0 40 GCAB Cc1ccc(C)c(Cn2c(CN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 20354936 GPDQIFIYCGNWPD-UHFFFAOYSA-N 383.452 0.921 0 40 GCAB O=C1CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCN1 23421144 RADSDKYJYMMBAI-UHFFFAOYSA-N 379.463 0.799 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C 33330784 FHUGISGNOLYGEC-UHFFFAOYSA-N 380.426 0.701 0 40 GCAB O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 35315272 HIZFNXQAVGLSCS-HZPDHXFCSA-N 375.402 0.940 0 40 GCAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N2CCN(C)CC2)cc1 36593003 QAQIDBOOAIKGNK-IAGOWNOFSA-N 386.539 0.436 0 40 GCAB CCn1c(SCC(=O)NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 39861099 LYOGBXDQDMZVFQ-UHFFFAOYSA-N 379.486 0.995 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)C1(O)CCSCC1)[C@H]1CCS(=O)(=O)C1 95451101 DNHKKKUTEAPPFM-RYUDHWBXSA-N 379.500 0.212 0 40 GCAB Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)CN(Cc1cnn(C)c1)CCC2 96059666 NKONRXLWZAUSLO-UHFFFAOYSA-N 397.439 0.609 0 40 GCAB Cn1nccc1/C=C/C(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 585289329 IFJKQVOATLOAOJ-JSAGRGGKSA-N 382.428 0.380 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(c4ncc(Br)cn4)C[C@H]3C2)cc1=O 1888843290 WYEOLYCCLPGXAI-AOOOYVTPSA-N 393.245 0.611 0 40 GCAB Cn1nc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)ccc1=O 1888846733 AAWNXDRWVLODOV-GHMZBOCLSA-N 394.357 0.798 0 40 GCAB CCCCCCSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O 3874925 HXJDWCWJDCOHDG-NEPJUHHUSA-N 391.490 0.178 0 40 GCAB in-vivo,metabolite COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCCc1ccccc1 5039227 JFHIUEFBHAKNDT-UHFFFAOYSA-N 392.433 0.858 0 40 GCAB CC(C)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 5938322 PHTWYMLEKCMPSA-UHFFFAOYSA-N 384.454 0.637 0 40 GCAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1 12996022 OOBIIDDTDBQBAZ-NSHDSACASA-N 376.413 0.098 0 40 GCAB Cc1cccc2c(C[C@@H](C)NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)c[nH]c12 19236631 CMSZIXVNBHKHLL-GFCCVEGCSA-N 394.435 0.960 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 44226015 IVDFTMSWBDFYSD-QWRGUYRKSA-N 380.426 0.050 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@]2(O)CCOC2)cc1 89969065 OVVHCHLRJJNWBI-GOSISDBHSA-N 384.498 0.917 0 40 GCAB CCOC(=O)N1C[C@@H]2[C@H]3CN(C(=O)OCC)[C@@H]4C[C@@]3(C(=O)O)[C@@H]1C[C@]24C(=O)O 104071767 LTPAGGAWNDKANQ-IZNHYBEXSA-N 396.396 0.850 0 40 GCAB Cc1cc(O)nc(N2CCC(NC(=O)Cn3cnc4ccccc4c3=O)CC2)n1 253537417 XAFSEGSVXRXINA-UHFFFAOYSA-N 394.435 0.986 0 40 GCAB CC[C@H](C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2o1 257624737 XPFFFXIOYCKIEP-JSAFXWAXSA-N 396.392 0.233 0 40 GCAB biogenic,in-vitro CNC(=O)[C@H]1COC2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C2)CN1C 306135784 PASJJBUJRJLKBW-CYBMUJFWSA-N 377.832 0.259 0 40 GCAB CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)N1CCOCC1 585152201 ACTKLAWCIHAYNJ-TZMCWYRMSA-N 379.394 0.537 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)COc2cc(C)ccc2C)CCO1 681943144 IYKIIAZUFYVXHR-MRXNPFEDSA-N 378.425 0.843 0 40 GCAB COc1nc(NNc2nc(OC)nc(N3CCCC3)n2)nc(N2CCCC2)n1 1441031 IVNFEIVIKJKCJX-UHFFFAOYSA-N 388.436 0.713 0 40 GCAB O=C(OCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3338344 IIAMOMZOQWZXIG-UHFFFAOYSA-N 396.465 0.877 0 40 GCAB COC(=O)c1cc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc(C(=O)OC)c1 3440376 AXBZUHPGEWCKFC-CQSZACIVSA-N 398.437 0.317 0 40 GCAB COC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 4061357 LSTJDXFITQDPJU-SNVBAGLBSA-N 387.421 0.888 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCC(C)C)cc1 4338625 KBUHJFLSOCQWFK-INIZCTEOSA-N 397.497 0.621 0 40 GCAB CCCCc1nc(SCC(=O)NCCC)c2c(=O)n(C)c(=O)n(C)c2n1 4341229 LZGKZFROMGRCCM-UHFFFAOYSA-N 379.486 0.988 0 40 GCAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(CCO)CC4)[C@H]3[C@@H](O)[C@@]21C 19370369 HMSAIGOZLMKVAN-OSSFJEMISA-N 378.513 0.881 0 40 GCAB biogenic O=c1[nH]cc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)c(=O)[nH]1 28284324 LSAQGXHRJRXQFM-UHFFFAOYSA-N 376.394 0.773 0 40 GCAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 52152958 JAXXDSIRBORDEL-UHFFFAOYSA-N 379.438 0.437 0 40 GCAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 57463382 GWUULTWNCQTFRE-WMLDXEAASA-N 383.489 0.982 0 40 GCAB CCOC(=O)N1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 58019693 ZDJWBXYSBMXHJS-QGZVFWFLSA-N 389.452 0.887 0 40 GCAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@@H]1OC 95941971 VJWURNDQUYMBRD-GUTXKFCHSA-N 377.484 0.869 0 40 GCAB COCC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccc(OC)cc1)S3(=O)=O)O2 96263992 XTTGQPQWIIUNTA-RYRKJORJSA-N 396.465 0.226 0 40 GCAB COc1ncccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O 225511217 VIUFRFNTEOUPDT-GRLWTPEZSA-N 379.457 0.380 0 40 GCAB biogenic,in-vitro O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)CCC(F)(F)F)C2)nn1 225634170 BVNJPFXROPYXBL-UHFFFAOYSA-N 381.380 0.539 0 40 GCAB O=S(=O)(N1CCOCC1)N1CC[C@H](Oc2ncccc2Br)C1 238835902 GRNGFLBREFWIIR-NSHDSACASA-N 392.275 0.874 0 40 GCAB CNC(=O)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@H](C(=O)NCc3ccc(F)cc3)[C@@]23C=C[C@H]1O3 245227933 ZDLFAXSVZWDOTC-WUKWMOGPSA-N 399.422 0.501 0 40 GCAB COc1nc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)nc(OC)n1 575608456 UOZVQUKOKMZJEQ-UHFFFAOYSA-N 388.352 0.815 0 40 GCAB COCCOc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OC 585269588 AASWYQNQYJHFJX-HXUWFJFHSA-N 380.485 0.989 0 40 GCAB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)CCS(C)(=O)=O)CCC2 1565555296 WOCNQUPWTAGEAS-UHFFFAOYSA-N 384.502 0.826 0 40 GCAB CCOC(=O)C(CN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC 1559362 RNYPJPFBOPHPKI-UHFFFAOYSA-N 376.365 0.284 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(F)(F)F)c(=O)n(C)c1=O 3341256 ZSKHCABVWFHNOP-UHFFFAOYSA-N 385.298 0.725 0 40 GCAB CC(=O)CN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148220 CGIDCPKSLSWHAY-UHFFFAOYSA-N 384.371 0.386 0 40 GCAB O=C(O)CCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12 5438529 OTDRVSBRPICELU-IYVPYFHTSA-N 388.380 0.664 0 40 GCAB biogenic,in-vitro Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 36000647 ZBGRGLKKGWGDTN-UHFFFAOYSA-N 377.470 0.674 0 40 GCAB O=C1Nc2ccccc2[C@]12N=c1ccccc1=C(O)N2CCCN1CCOCC1 36359155 WYHAMPRYZVZYSY-JOCHJYFZSA-N 392.459 0.773 0 40 GCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)cc1 39986039 DSMYWSLJQGWFOD-UHFFFAOYSA-N 385.486 0.154 0 40 GCAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2)o1 44902339 KGRFTHXTAPZTAY-UHFFFAOYSA-N 386.456 0.737 0 40 GCAB CN(C)S(=O)(=O)c1ccc(I)c(C(=O)OCCO)c1 51746233 KTHKCYSCYGLEEW-UHFFFAOYSA-N 399.206 0.691 0 40 GCAB CCN(CC)CC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95401449 SADZAJDNNSTNEV-QGZVFWFLSA-N 376.505 0.402 0 40 GCAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)C(N)=O)c(OC)c1 95461690 WOJYPBHFYHGDPA-SNVBAGLBSA-N 393.487 0.341 0 40 GCAB Cc1cc(C)nc(NCCCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)n1 95478322 HFLXAGGMIXJXSF-UHFFFAOYSA-N 384.506 0.236 0 40 GCAB CNC(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@@H](C)C3)ncc1CS2(=O)=O 96252036 AUKNDJOAGIAKLM-KWCYVHTRSA-N 379.486 0.749 0 40 GCAB COc1ccc(S(=O)(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 244094621 UFSABQMIVCPFFD-CYBMUJFWSA-N 376.500 0.435 0 40 GCAB C[C@](O)(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)O 569734182 ZUUSBHLGQLLVHB-SFHVURJKSA-N 378.450 0.982 0 40 GCAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095359 RAKXWZFSWMKNKD-INIZCTEOSA-N 384.502 0.911 0 40 GCAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@H](CN1CC[C@@H](O)C1)C2 585103625 HTEWCSSRZWCSSP-CVEARBPZSA-N 381.498 0.708 0 40 GCAB CCN1CCN([C@H]2CCN(c3nnc(-c4cn(C)nn4)n3CC3CC3)C2)CC1 597452214 UORBUIXVQZSALD-INIZCTEOSA-N 385.520 0.700 0 40 GCAB CCOC(=O)C1(COC)CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 601407814 GEBYVQIDBPSTOW-AWEZNQCLSA-N 388.486 0.371 0 40 GCAB Cc1cc(C2CCCCC2)n(C[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c(=O)c1 1569989185 UDOGORLVEBQEHE-MWTISTBLSA-N 381.425 0.139 0 40 GCAB C[C@@]1(CO)CCCN(c2ncc(S(=O)(=O)NCCO)cc2C(F)(F)F)C1 1615053363 HTVLJIMWACUAFM-CQSZACIVSA-N 397.419 0.970 0 40 GCAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)c(C)c2oc1=O 2102327 BIGXQGDWGCXSIM-LBPRGKRZSA-N 390.392 0.803 0 40 GCAB biogenic Nc1ccc(S(=O)(=O)c2ccc(NCNc3nc(N)nc(N)n3)cc2)cc1 4522561 ALKZXFMOUFAICT-UHFFFAOYSA-N 386.441 0.933 0 40 GCAB CN(C)c1nc(N)nc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n1 12940879 NLVQNCCMYJQLRN-UHFFFAOYSA-N 381.396 0.533 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC(C(N)=O)CC1 21847317 JCQIPCSTMOPKMB-ZDUSSCGKSA-N 396.513 0.770 0 40 GCAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1OC 26111971 SQIWOQBNWAOKEO-UHFFFAOYSA-N 399.469 0.908 0 40 GCAB CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 30008370 UWZKYYCWHRQJFT-UHFFFAOYSA-N 396.332 0.953 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCOC3=O)CC2)c(C)c1 34888580 WWJKZGJMMWRHBT-UHFFFAOYSA-N 395.481 0.897 0 40 GCAB CC(C)CCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@@H]12 35457089 RQVIOHJGPCAFPM-HADXRLKASA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro COc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 40283458 OHKINZAJCBERRE-CQSZACIVSA-N 391.449 0.564 0 40 GCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCCn2cccn2)c1 57279425 DNAYONKUODXTKC-UHFFFAOYSA-N 391.457 0.934 0 40 GCAB COC(=O)CCCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 58156103 LKKCITXCRLXOCU-UHFFFAOYSA-N 386.470 0.963 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccc(O)cc2)C(=O)O)CC1 72403118 FQWDECSVJDBGGL-CQSZACIVSA-N 392.456 0.127 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCC[C@H]1CN(C)C 103976446 HZJDISPGCXRPOG-INIZCTEOSA-N 391.516 0.790 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccc(-c3cnccn3)n2)CC1 244933167 CESWIWAYSMTQIF-UHFFFAOYSA-N 378.458 0.128 0 40 GCAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)Cn1ccccc1=O)CC2 1141898319 RRTSWXMYYSNWSL-MRXNPFEDSA-N 375.469 0.972 0 40 GCAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(S(=O)(=O)c3ccccc3)C[C@H]12 1549163174 ZZOIUSRNCPGGPH-HNNXBMFYSA-N 391.449 0.503 0 40 GCAB C[C@@H]1CN(C(=O)CN2CCN(c3cc(-n4cccn4)ncn3)CC2)C[C@@H](C)O1 2086886924 DNPWMYRXHYJHAH-HZPDHXFCSA-N 385.472 0.420 0 40 GCAB C[C@@H](O)CNC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 6759379 WOQMWRBIWYXGJT-SECBINFHSA-N 381.454 0.110 0 40 GCAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCO4)N21 10153629 NWARYRFUPJWTNB-SECBINFHSA-N 376.394 0.776 0 40 GCAB CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C(=O)OCC)C3)[nH]c(=O)c21 19821468 FDEXWYYJXFRXPA-MNOVXSKESA-N 391.428 0.111 0 40 GCAB COC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 22624223 ROJJTMRJBLQCDY-WBMJQRKESA-N 386.470 0.912 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 44226010 IVDFTMSWBDFYSD-MNOVXSKESA-N 380.426 0.050 0 40 GCAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 44921154 XRENLLMDNHQVBO-UHFFFAOYSA-N 385.424 0.038 0 40 GCAB O=C(CN1CCc2ccccc21)N1CCN(S(=O)(=O)N2CCCC2)CC1 48343500 GBJBARXYTQXHNN-UHFFFAOYSA-N 378.498 0.534 0 40 GCAB C[C@@H](C(=O)N1CCN(C)CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326762 KELYHUNEGZIDFZ-YCRPNKLZSA-N 399.495 0.713 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)c1 72335116 NYYBSFKMQZQVKS-DZGCQCFKSA-N 393.469 0.961 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 97081384 XSGBEBNBCYBVCC-CQSZACIVSA-N 393.469 0.996 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1 253394160 AMQVSSWTAHFRCB-WQVCFCJDSA-N 394.449 0.955 0 40 GCAB Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2cncnc2N)CCN1C 257233874 GRDIMPYRAAIXLJ-INIZCTEOSA-N 398.467 0.319 0 40 GCAB Cc1ncc2c(n1)[C@H]1CN(C(=O)[C@H]3[C@H]4C=C[C@@]5(CN(C)C(=O)[C@H]35)O4)C[C@H]1CC2 257308267 TWCRMDJSYGDGDN-MLKMGKRZSA-N 380.448 0.685 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)CCn3ccnc3)CC2)CC1 257328312 XFCGKRLBNLUELK-HXUWFJFHSA-N 391.516 0.617 0 40 GCAB Cn1cccc1C(=O)N1CCO[C@@H](Cn2nnc3c(N4CCCC4)ncnc32)C1 306140340 UQLXOOFDRMSQSF-CQSZACIVSA-N 396.455 0.701 0 40 GCAB Cn1cc(CN(C(=O)c2cc3ccccc3o2)[C@H]2CCNC2)c(=O)n(C)c1=O 583622011 WKMXHDKEVUAEHI-HNNXBMFYSA-N 382.420 0.835 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2cncn2)CCO1 585282750 AIVCEWKARSTGAZ-KRWDZBQOSA-N 393.831 0.484 0 40 GCAB Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C[S@](C)=O)c1ccccc1 597300413 JALFPAYKGPCJRP-SHZVTRLKSA-N 397.478 0.091 0 40 GCAB O=C(Cn1nnc2ccccc21)N1CCCN(c2ccc3nncn3n2)CC1 1565523818 XRBFWUGLIPTBSL-UHFFFAOYSA-N 377.412 0.608 0 40 GCAB OC[C@@H](O)[C@H]1OCCCCOCCCN(Cc2cccs2)C[C@@H](O)[C@H]1O 2037971307 FGHRPRJBBINCHL-BRSBDYLESA-N 389.514 0.211 0 40 GCAB CS(=O)(=O)N1CCOC[C@]2(CN(Cc3ccc(F)c(F)c3)CCO2)C1 2055814250 YKKRXUFXGDHRLZ-INIZCTEOSA-N 376.425 0.828 0 40 GCAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)NC(N)=O 3521799 BYNSJWZPAGHCDL-SNVBAGLBSA-N 395.393 0.498 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 4942556 BCZULDVTGFYOBX-UHFFFAOYSA-N 376.456 0.553 0 40 GCAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)no1 9525875 WDWNLTHJLCNUQE-CYBMUJFWSA-N 386.364 0.658 0 40 GCAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@H](O)C3)CC2)Nc2ccccc21 12085624 WLBSWRSNQXUBDR-VBKZILBWSA-N 386.452 0.534 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 12118925 AUJAEBIVYMRTQN-NEPJUHHUSA-N 379.442 0.413 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C1=O 12818649 PETCBXACGMXVCN-POJUEXTFSA-N 379.417 0.239 0 40 GCAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 12883467 GIYMEEAEDLJNEU-AWEZNQCLSA-N 394.902 0.654 0 40 GCAB CCC(=O)N1CCC(c2nc(N3CCOCC3)ncc2S(C)(=O)=O)CC1 19498533 QYJVFKXDQOYRQT-UHFFFAOYSA-N 382.486 0.833 0 40 GCAB COCC(=O)Nn1ccc2c(nnc3c(-c4ccccc4)c(COC)nn32)c1=O 40391313 CFUGVCBPNPCDPE-UHFFFAOYSA-N 394.391 0.969 0 40 GCAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 61071029 LYNWFDKBHLQKLL-LJQANCHMSA-N 384.480 0.383 0 40 GCAB CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1 72321297 WLIZQSVBKJYXST-CRAIPNDOSA-N 392.456 0.566 0 40 GCAB biogenic,in-vitro C[C@H](C(=O)N1CCN(C)CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326763 KELYHUNEGZIDFZ-QVKFZJNVSA-N 399.495 0.713 0 40 GCAB CC1(C)NC(=O)N(CCCC(=O)N2CCN(C(=O)c3cccnc3)CC2)C1=O 89914357 BOFJBGUHGHPRIL-UHFFFAOYSA-N 387.440 0.477 0 40 GCAB Cc1cc(C(=O)N2CC[C@]3(COCc4cnc(N5CCOCC5)nc43)C2)no1 96244160 OVKJLQNMKBICHH-LJQANCHMSA-N 385.424 0.924 0 40 GCAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(=O)n(C)n1 206799734 RFGFQLUUJNAYNN-BXUZGUMPSA-N 375.356 0.755 0 40 GCAB COCCN1C[C@]23CN(C(=O)c4cc(C)cs4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565549954 KUUPCNAEWHSWDI-IVMMDQJWSA-N 386.495 0.700 0 40 GCAB Cc1nn(CC(=O)NC[C@H]2CCCO2)c(C)c1S(=O)(=O)N1CCCCC1 7781841 BPGDHQUKYSTSAP-OAHLLOKOSA-N 384.502 0.970 0 40 GCAB CCCCn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)Nc1nccs1)C(=O)N2 10031275 NVSMKGQZRLETHY-VIFPVBQESA-N 377.426 0.868 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20566083 BUONQAWZMCXZSY-AEXWGPEASA-N 393.827 0.088 0 40 GCAB OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@H]1O 21983181 HSTZMXCBWJGKHG-JTHNCSCQSA-N 390.388 0.447 0 40 GCAB O=C(CNC(=O)Cc1ccccc1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32754187 SJJMCKIWAWDHRV-UHFFFAOYSA-N 381.392 0.270 0 40 GCAB COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 38828130 JLPDNDVHOCXYGV-NSHDSACASA-N 399.407 0.680 0 40 GCAB CCn1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2n[nH]c(=O)c-2c1 44213486 AUOZKEZYNLITKF-UHFFFAOYSA-N 389.437 0.316 0 40 GCAB COC(=O)C(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 58225213 FMCNDTJMNILCDE-UHFFFAOYSA-N 399.288 0.857 0 40 GCAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC1CCC(C(=O)NC(N)=O)CC1 79105949 MSQUENIULLRFHI-YIZWMMSDSA-N 378.429 0.904 0 40 GCAB COCCN(C)C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 96267662 GIGBPLDDHADMBM-GFCCVEGCSA-N 381.458 0.197 0 40 GCAB OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O 108555676 HSTZMXCBWJGKHG-JZUAAEEQSA-N 390.388 0.447 0 40 GCAB CN1CCN(C[C@@]2(O)CCCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 257233311 GOROSRMYIWTQTA-OAQYLSRUSA-N 388.512 0.407 0 40 GCAB COC(=O)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1cccnc1 562210298 XFCHXSMTODNAJD-MRXNPFEDSA-N 377.422 0.781 0 40 GCAB COC[C@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)N1S(C)(=O)=O 585104015 YCWODKAMSRCTHQ-OAHLLOKOSA-N 384.502 0.394 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 623518545 YQORDPVMECHUCB-UHFFFAOYSA-N 387.461 0.950 0 40 GCAB CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 648773376 FOVAYHLXLRBJII-ICSRJNTNSA-N 394.560 0.744 0 40 GCAB CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 1614931596 YCGIHDJWQWVEHD-IBGZPJMESA-N 376.457 0.383 0 40 GCAB O=C(NC1CCC1)c1nnc2n1C[C@]1(CCN(C(=O)c3csnn3)C1)OC2 1614937332 NGQUWCTYARBMIW-MRXNPFEDSA-N 389.441 0.227 0 40 GCAB c1cc2c(N3CCN(c4nccc(N5CCOCC5)n4)CC3)ncnc2cn1 1889191864 BJYXFZHLFWLQCY-UHFFFAOYSA-N 378.440 0.978 0 40 GCAB CCc1nc(N)nc(C(=O)NCCNC(=O)c2nc(N)nc(CC)c2C)c1C 1622566 SMDXMSQJERBWMN-UHFFFAOYSA-N 386.460 0.332 0 40 GCAB Nc1c(C(=O)OCC(=O)Nc2ccccc2Br)nc(O)[nH]c1=O 3434347 ZBOWCYMRXOWVRT-UHFFFAOYSA-N 383.158 0.616 0 40 GCAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1C 4370352 JPAXETFTDJDSFJ-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)NC(=O)Cc1ccccc1 7786236 NZYDMOUFUNMSDP-UHFFFAOYSA-N 398.371 0.574 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 9051543 IMUPONDIHPTVQR-ZJUUUORDSA-N 389.503 0.119 0 40 GCAB Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)N3CCOCC3)CC1)O2 12085703 YOLIISGUORGFGP-FQEVSTJZSA-N 387.436 0.685 0 40 GCAB Cc1[nH]c2nc(C(=O)N[C@@H]3CCC(=O)N[C@H]3c3ccsc3)nn2c(=O)c1C 19576955 ZBDPONNBHYEBCZ-YPMHNXCESA-N 386.437 0.846 0 40 GCAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCN1CCOCC1 20676367 IOGMBSNAOSHZQC-UHFFFAOYSA-N 385.468 0.684 0 40 GCAB biogenic CCOC(=O)N1CCC(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 22691299 RJNVGLNHYUKMAB-UHFFFAOYSA-N 382.505 0.914 0 40 GCAB Cc1cc(C)cc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 22934979 BBXYFZHRJRANNS-UHFFFAOYSA-N 396.557 0.823 0 40 GCAB C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1OC(F)F 28055193 LETQOSWTVOWPJE-SECBINFHSA-N 389.380 0.725 0 40 GCAB COc1ccc(CCNC(=O)CNC(=O)Cn2nnc3ccccc3c2=O)cc1 36356960 XCBQGUYRTSZYHR-UHFFFAOYSA-N 395.419 0.275 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1ccccc1F 49410586 INJPDDHYDLLZNI-UHFFFAOYSA-N 395.412 0.647 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)C[C@H]2OC(=O)c3ccccc32)C[C@@H](C)O1 65476361 SEWNRHZVVWGABG-DVOMOZLQSA-N 396.465 0.843 0 40 GCAB NS(=O)(=O)CCN1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 78963606 RGJSLFJCZZVJSK-UHFFFAOYSA-N 389.861 0.158 0 40 GCAB C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnn[nH]1 95942112 FFLQIYZPVLAPBV-ZDUSSCGKSA-N 392.485 0.837 0 40 GCAB NC(=O)[C@@H]1C[C@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 107351583 FTSGGRKWNOFKOT-KWQFWETISA-N 390.753 0.755 0 40 GCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 499082235 BUBLNGTYKRZGMA-LBPRGKRZSA-N 376.456 0.461 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC(c3ccon3)CC2)C1 661182875 YUNWKHXKWZAQDJ-CQSZACIVSA-N 385.490 0.834 0 40 GCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3cccc(=O)n3C)CC[C@@H]21 1565549458 XHPQZYKZHATENU-PMPSAXMXSA-N 384.440 0.129 0 40 GCAB CN(C)C(=O)CN1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1614931667 DVHCDCCMXIKJIN-INIZCTEOSA-N 375.416 0.050 0 40 GCAB Cc1cc(C)n(-c2ccc(N3CCN(c4cc(=O)n(C)c(O)n4)CC3)nn2)n1 1889139370 JSGDQADVTPAATQ-UHFFFAOYSA-N 382.428 0.405 0 40 GCAB COc1ccccc1C(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6354322 FETZYDJQKAFENO-UHFFFAOYSA-N 396.355 0.791 0 40 GCAB Cn1nnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9129335 NCMSIPBWZSAKNA-UHFFFAOYSA-N 383.455 0.206 0 40 GCAB CCOC(=O)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 12310195 QTTVRIAYORWMQR-UHFFFAOYSA-N 381.396 0.422 0 40 GCAB CCOC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 22220144 ARCGMOATVIGETD-BBATYDOGSA-N 397.428 0.939 0 40 GCAB CN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O 22230830 NVICOHWFGYVTFE-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cn1C 31668517 MKVBFINKHPMNAM-UHFFFAOYSA-N 386.455 0.557 0 40 GCAB CCS(=O)(=O)NC1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 32926889 DANDLIDBEIYTRS-UHFFFAOYSA-N 386.518 0.848 0 40 GCAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCN(CCO)CC1 54360901 DRTLSLCFXNLGEZ-QINSGFPZSA-N 375.450 0.859 0 40 GCAB Cc1ccc2cc(C)c3nn(CCNC(=O)[C@H]4CSCC(=O)N4)c(=O)n3c2c1 57740211 UMKGTVURFXEPJT-CQSZACIVSA-N 399.476 0.614 0 40 GCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCSCC3)CC2)Nc2ncccc21 72326276 WVWZZKYQYKADOC-SFHVURJKSA-N 389.481 0.521 0 40 GCAB O=C(c1ccnnc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96243692 BQWPNFISBAQVEX-INIZCTEOSA-N 396.451 0.826 0 40 GCAB CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 98086788 WRNLSEHRPSOMSH-UHFFFAOYSA-N 383.455 0.381 0 40 GCAB COc1ccc(CN2CCN(C3=NO[C@H]4CN(S(C)(=O)=O)C[C@H]34)CC2)cc1 306139794 UAUZORUDDGRWBU-IRXDYDNUSA-N 394.497 0.417 0 40 GCAB COc1cc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NC(C)C)CO2)on1 1614929371 YYVMEPWZAKFDFL-JTQLQIEISA-N 377.401 0.426 0 40 GCAB Cc1cc(=O)n(CC(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cn1 1888876301 LOXQNZDDACAKAN-IYBDPMFKSA-N 394.479 0.734 0 40 GCAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 801712 ZKQGFZIVCIQVNK-CQSZACIVSA-N 399.451 0.474 0 40 GCAB Cn1c2c(c(=O)n(C)c1=O)[C@](NC(=O)C1CCCCC1)(C(F)(F)F)C(=O)N2 2351852 BIJCHTOAYNDYLE-OAHLLOKOSA-N 388.346 0.490 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4Cl)ncnc32)[C@@H](O)[C@H]1O 3040765 ONONMLMFXBFTIS-SDPXSBNPSA-N 377.788 0.835 0 40 GCAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(F)(F)F 3380631 JQTSPEWMAQXVHU-MRVPVSSYSA-N 393.343 0.335 0 40 GCAB CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5340078 VQSSPXKXFSJTNL-UHFFFAOYSA-N 388.877 0.496 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)N2)CC1 10157537 OTBXWALYXXSIJE-CABCVRRESA-N 388.424 0.777 0 40 GCAB Cc1nnc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)s1 10217072 WMSQWPYQDMVHCE-UHFFFAOYSA-N 378.439 0.523 0 40 GCAB CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(Cl)s1 14252651 UBOLAQPNEOIJJP-SECBINFHSA-N 379.891 0.746 0 40 GCAB O=C(CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)N1CCOCC1 19375915 GMUHKFABHAGKLU-UHFFFAOYSA-N 386.452 0.082 0 40 GCAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 20032268 UKNHDQNNILCZPA-ZDUSSCGKSA-N 389.499 0.012 0 40 GCAB COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCC2)cc(OC)c1 20465042 IZKHHEXKDUPMAZ-VSZNYVQBSA-N 395.456 0.410 0 40 GCAB biogenic,in-vitro COc1ccc2c(c1)CCCN2C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 40023334 JLGUDWBIIPFCNR-UHFFFAOYSA-N 389.408 0.848 0 40 GCAB Cc1nc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)sc1C(=O)N(C)C 44459184 SDFUEPICWBBMNW-UHFFFAOYSA-N 377.426 0.552 0 40 GCAB CCc1n[nH]c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1C(=O)OC 48991638 ACUIZAAZMSNVEJ-UHFFFAOYSA-N 379.442 0.665 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473919 SJKPREHZRXHEIV-VHSXEESVSA-N 380.401 0.358 0 40 GCAB Cc1nc2cc(C3CCN(C(=O)CN4C(=O)CCC4=O)CC3)nn2c(O)c1C 100137369 IVTGSTIGQOMRRE-UHFFFAOYSA-N 385.424 0.907 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)[C@@H]1O 257279665 OHQLNDXVLREBNA-DMTCVQMQSA-N 387.400 0.020 0 40 GCAB CC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 1840311 VEMPXYFXAWMKDL-OAHLLOKOSA-N 382.298 0.431 0 40 GCAB Cn1c(=O)c2cc(C(=O)NCc3ccc(-n4cccn4)nc3)cnc2n(C)c1=O 12536594 JOOYEXRDNDYROR-UHFFFAOYSA-N 391.391 0.143 0 40 GCAB NC(=O)c1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc(C(N)=O)c1 12607646 KMHAPXIEYSEDSS-UHFFFAOYSA-N 397.435 0.351 0 40 GCAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 13555717 XXGLEDWUWLKZKI-JKDFXYPNSA-N 393.415 0.910 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccn(C)n3)c2)CC1 21631022 XTZHNJBLACRHEU-UHFFFAOYSA-N 391.453 0.525 0 40 GCAB O=C1CN(c2ccc(NC(=O)CCn3nnc4ccccc4c3=O)cn2)CCN1 27264424 RYRQSEKAJOZZIM-UHFFFAOYSA-N 393.407 0.152 0 40 GCAB COCCN(C)CCCNC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C 48291050 SMJZNRFQKCBOBW-GOSISDBHSA-N 390.488 0.858 0 40 GCAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 58312893 RZYGEMBJXNRXOY-IKGGRYGDSA-N 395.456 0.696 0 40 GCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCCO[C@@H]1CCOC1 79093589 VWCLZGFODKTUNU-CYBMUJFWSA-N 381.454 0.427 0 40 GCAB C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 95480488 PGIONFBYYQYIOY-KSSFIOAISA-N 378.450 0.397 0 40 GCAB CN1CCS(=O)(=O)[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]21 96251524 WWXICDXPDVYZSR-LSDHHAIUSA-N 376.475 0.708 0 40 GCAB CCOC(=O)C1=C(C)NC(=O)[C@H](C(N)=O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 100256769 YDEGCCMUNPUWPP-CABCVRRESA-N 392.408 0.864 0 40 GCAB COCCNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007714 VAPSTOFPUVTGRD-DCGLDWPTSA-N 396.465 0.762 0 40 GCAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225404352 VTTMDNPBGHTVMZ-UONOGXRCSA-N 381.502 0.780 0 40 GCAB COc1cc(S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1C(=O)O 568622796 GMSLEQZMYOLIKY-UWVGGRQHSA-N 379.456 0.836 0 40 GCAB COc1nc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(OC)n1 575607459 NNSVPIKSGDSUJW-UHFFFAOYSA-N 381.414 0.069 0 40 GCAB CCN(CC)S(=O)(=O)N(C)Cc1cccc([C@H]2CN(C)C[C@@H]2C(N)=O)c1 2037834471 HPBLCPHZYXQJJS-SJORKVTESA-N 382.530 0.836 0 40 GCAB Cn1c(=O)c2c(ncn2CC2(O)CCN(C(=O)OC(C)(C)C)CC2)n(C)c1=O 2037843538 FHCLYXHROYBEFT-UHFFFAOYSA-N 393.444 0.196 0 40 GCAB CC(C)CN1C[C@@H]2C[C@H](NC(=O)NC(C)C)CN2C(=O)[C@@H]1CNC(=O)C1CC1 2332242267 XPPKATBVJVOMJX-ULQDDVLXSA-N 393.532 0.530 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccc3c(c2)OCO3)n(C)c1=O 4619759 LKQQBBZQBZNHCX-UHFFFAOYSA-N 391.771 0.455 0 40 GCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)c(C)c1 7425743 TXUGRKKUACZMRT-ZDUSSCGKSA-N 387.440 0.912 0 40 GCAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 13069625 ZIGKFVNVBYBROR-UHFFFAOYSA-N 377.470 0.972 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(Cc3cccc(F)c3F)CC2)cc1C(N)=O 14241272 XKMVWNLRRCDZSC-UHFFFAOYSA-N 398.435 0.909 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccccc2NS(C)(=O)=O)NC(=O)NC1 18263470 IFTRDCPSPGCABW-UHFFFAOYSA-N 397.409 0.345 0 40 GCAB CCc1c(C)nc([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c1=O 19521564 ZVZLVIPSJSGYCX-HNNXBMFYSA-N 396.513 0.976 0 40 GCAB COc1ccc(C(=O)CCC(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1OC 32865201 ASVXHIKRHZRXGX-UHFFFAOYSA-N 390.392 0.808 0 40 GCAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)N1CCOCC1 72347689 YEMQCZYQNMATNM-UHFFFAOYSA-N 380.408 0.733 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)cc1 77190845 PJBYYNVHQMRHKO-UHFFFAOYSA-N 377.470 0.848 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1S(=O)(=O)CC(F)(F)F 95465339 BYLFILJLYPGKOS-SSDOTTSWSA-N 392.343 0.777 0 40 GCAB CS[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H]1N1CCCC1 95939741 CTIZQINVZOJEGE-HOTGVXAUSA-N 388.493 0.728 0 40 GCAB OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O 96032072 HSTZMXCBWJGKHG-LWEXYKKZSA-N 390.388 0.447 0 40 GCAB CC(C)NC(=O)N1CCN(C(=O)C2CCOCC2)C[C@]2(CC(=O)N(C)C2)C1 96036126 GYOVWLOYVRJWLX-LJQANCHMSA-N 380.489 0.524 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@@]21CCNC1=O 96062601 YTKITQQGTDRPKO-LJQANCHMSA-N 392.525 0.835 0 40 GCAB C[C@H]1CN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 103503545 PXVRUZJKUSGBMG-JKSUJKDBSA-N 381.498 0.629 0 40 GCAB C[C@@H](NC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)c1nncn1C 108139348 ORQZOCUADYWOFK-CHWSQXEVSA-N 381.481 0.726 0 40 GCAB Cc1cc(C)n2nc(C(=O)NCCn3c(=O)[nH]c4ccsc4c3=O)nc2n1 225806320 FFIATPYCJGIDOE-UHFFFAOYSA-N 385.409 0.236 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](O)[C@@H]1O 257274811 NMSZSOFHOXDEFH-BQGCOEIASA-N 388.472 0.990 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1C 575423051 NQCURINOHHBOEG-CYBMUJFWSA-N 375.468 0.874 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccccn2)C1 585291125 LDPRHNNGEJNDSL-MSOLQXFVSA-N 377.466 0.010 0 40 GCAB CCOc1ccc(N2CCN(C(=O)c3cnn4c3[C@@H](CN)CCC4)CC2)nn1 595992917 YJPPJFHKGUENPO-CQSZACIVSA-N 385.472 0.870 0 40 GCAB C[C@]1(O)COC2(CCN(Cc3cscn3)CC2)C[C@@H]1NS(C)(=O)=O 643913703 DLIAEGZTKWIKJE-KBPBESRZSA-N 375.516 0.567 0 40 GCAB CCOc1ccc(C(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nn1 1888913862 AFRWYKXYYLIMQY-CHWSQXEVSA-N 380.412 0.521 0 40 GCAB O=C(COc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242952 KQUZYQMXHJXISS-KRWDZBQOSA-N 394.493 0.556 0 40 GCAB Cc1noc(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 3416617 RTPFZFRIGCPOLU-UHFFFAOYSA-N 378.385 0.430 0 40 GCAB COc1ccc(S(=O)(=O)NCc2cccnc2)cc1N(C)S(C)(=O)=O 5521118 ZAULHHQKCHUVFM-UHFFFAOYSA-N 385.467 0.965 0 40 GCAB CCOC(=O)CNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 6546556 IDYCCDVLOXNGLU-UHFFFAOYSA-N 379.398 0.205 0 40 GCAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 12522959 SURGGQPYHQJXPY-LLVKDONJSA-N 389.499 0.742 0 40 GCAB Nc1ccccc1C(=O)NCCNCCNCCNC(=O)c1ccccc1N 22577051 CGXREWHIJMHERE-UHFFFAOYSA-N 384.484 0.190 0 40 GCAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(C(=O)N2CCCC2)CC1 32857859 DDDAGBQSLLFXEK-UHFFFAOYSA-N 392.481 0.345 0 40 GCAB COCCCNC(=O)CN1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1 40069124 NPIFPRPZZUYRCG-UHFFFAOYSA-N 388.472 0.257 0 40 GCAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-n2cncn2)nc1 46714189 WOUYJNBUBSYFQO-HUUCEWRRSA-N 382.424 0.844 0 40 GCAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 48301738 YNMUOQJXTKDSKC-UHFFFAOYSA-N 385.380 0.270 0 40 GCAB CNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 83927638 YLEPLWBPQKBLGF-VJJORKCCSA-N 378.469 0.842 0 40 GCAB CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@]2(CC(=O)N(C)C2)C1 96262071 YAYMAUWGYGYGFR-SFHVURJKSA-N 394.497 0.419 0 40 GCAB CNC(=O)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NCc3ccc(F)cc3)[C@@]23C=C[C@H]1O3 245227931 ZDLFAXSVZWDOTC-DBIZDJMSSA-N 399.422 0.501 0 40 GCAB Cc1cc(C(=O)N2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)on1 253600059 DGSPFBLOXVMDCS-LBPRGKRZSA-N 378.410 0.481 0 40 GCAB O=C(c1cc2c(nc1O)CCC2)N1CCC[C@](O)(CN2CCOCC2)CC1 257204866 AWPZFCQIEBRCMU-HXUWFJFHSA-N 375.469 0.965 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1 257336219 YNOWJWKXRQNNET-OAQYLSRUSA-N 388.512 0.968 0 40 GCAB O=C(c1cnccn1)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306123197 AHBBTSZGXTZOOV-AWEZNQCLSA-N 388.449 0.718 0 40 GCAB Cn1cccc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)c1=O 585147755 XQIIDPAZQHSJRM-UHFFFAOYSA-N 388.449 0.849 0 40 GCAB O=C(CN1C(=O)Cc2ccccc21)N1CCC(NC(=O)N2CCOCC2)CC1 633481919 IRIWYUWMWZBVES-UHFFFAOYSA-N 386.452 0.609 0 40 GCAB CC(=O)OC[C@@]1(CC(=O)N2CCOCC2)CCCN1C(=O)Cc1nonc1C 643586901 JRQZONUBFUWQFH-SFHVURJKSA-N 394.428 0.094 0 40 GCAB O=C([C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCO1)N1CCOCC1 1889130587 XSLRGZYMBUDCHR-SNVBAGLBSA-N 386.334 0.207 0 40 GCAB O=C(CN1CCOCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772942 AWGDIALVYZOASL-UHFFFAOYSA-N 375.473 0.059 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCCSc1ncccn1 2590165 JFUFTDCQAJMGBU-UHFFFAOYSA-N 387.469 0.996 0 40 GCAB CC(=O)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4ccnc4)cc3)CO[C@H]12 4147835 OQUMIALTZOFJNH-MWDXBVQZSA-N 397.395 0.495 0 40 GCAB biogenic,in-vitro COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 4994464 HUBNAZBHTDOFGE-HUUCEWRRSA-N 393.440 0.861 0 40 GCAB NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 8632818 KSKDSRXCCFMVSX-UHFFFAOYSA-N 389.415 0.942 0 40 GCAB Cn1nccc1C(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 12337222 FUWADBBWCJCYSL-UHFFFAOYSA-N 396.494 0.881 0 40 GCAB C[C@H](CO)Nc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 13739022 WNCHKGNTKSTOAO-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB CCc1cc(C(=O)N2CCC(CCN(C)C)CC2)c2c(=O)[nH]c(=O)n(C)c2n1 19663540 AHOOHMCUCREOER-UHFFFAOYSA-N 387.484 0.988 0 40 GCAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19766736 KBGAYZNLSZYRHI-CQSZACIVSA-N 390.469 0.937 0 40 GCAB CN(C)S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(F)cc1 20245427 MFVOUZXUWQXZSA-UHFFFAOYSA-N 383.449 0.842 0 40 GCAB CS(=O)(=O)N1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 25084738 PMDPFKJTICJAMI-UHFFFAOYSA-N 375.878 0.412 0 40 GCAB CN(C)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 32883909 RWEWXMKKZKCTJU-GFCCVEGCSA-N 379.442 0.252 0 40 GCAB O=C(NCCCN1CCOCC1)c1nnc2n(c1=O)CCN2c1ccccc1 35589908 VWOJNTYBXQIFKY-UHFFFAOYSA-N 384.440 0.242 0 40 GCAB Cc1cc(NC(=O)CNC(=O)CN2C(=O)CNC2=O)ccc1Br 95393383 HWNCVQNNKQOSJB-UHFFFAOYSA-N 383.202 0.364 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc(C)n[nH]2)cc1 226001795 YWIHQGPSXRTCEZ-UHFFFAOYSA-N 383.499 0.951 0 40 GCAB O=C(C1CC1)N1CC[C@@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 306142593 XDYOZDHXVCSMDZ-HXUWFJFHSA-N 384.411 0.777 0 40 GCAB Cn1cc(CNS(=O)(=O)C[C@H]2CN(C(=O)c3cccs3)CCO2)cn1 521396997 FOZWCJYGBWRZDI-CYBMUJFWSA-N 384.483 0.442 0 40 GCAB CN(C)CCOC1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 575967712 OITGXVOCCQODHS-OALUTQOASA-N 393.528 0.997 0 40 GCAB O=C(O)[C@@H](c1ccccc1F)N1CCN(S(=O)(=O)N2CCOCC2)CC1 652393468 FSCIHKNHLRCHRH-OAHLLOKOSA-N 387.433 0.146 0 40 GCAB O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2 1565554195 LUIAOFSZBCNIDA-HNNXBMFYSA-N 375.473 0.478 0 40 GCAB O=C(COc1cc(=O)oc2ccccc12)N1CCN(S(=O)(=O)C2CC2)CC1 1889237634 JWTUOCCOVNCYMM-UHFFFAOYSA-N 392.433 0.808 0 40 GCAB CC(C)(C)OC(=O)NCC(=O)OC[C@@H](NC(=O)OCc1ccccc1)C(N)=O 4015554 DDNYNHVUFLBPPT-CYBMUJFWSA-N 395.412 0.835 0 40 GCAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1 4373748 KWKKPWHGCJUURR-SFHVURJKSA-N 395.463 0.945 0 40 GCAB O=C(NCc1ccncc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029431 FORZHHFGVSBOAV-INIZCTEOSA-N 394.474 0.972 0 40 GCAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(NS(C)(=O)=O)CC1 12992343 IAGYPBIYDNJQOU-ZDUSSCGKSA-N 394.497 0.764 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 13023927 WWSDBSHTNNRSFJ-UHFFFAOYSA-N 398.444 0.920 0 40 GCAB CC(=O)N1CCN(C(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)CC1 13730822 QAXJNDVODIIYSV-UHFFFAOYSA-N 382.467 0.972 0 40 GCAB CC(C)(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18232573 VRXRUJPEPZGJRP-GFCCVEGCSA-N 375.425 0.842 0 40 GCAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)C1 19017047 YGVIMQJHCQUJLV-CABCVRRESA-N 385.468 0.566 0 40 GCAB CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 19522522 LKJKJSNDOZVXHH-AWEZNQCLSA-N 382.486 0.667 0 40 GCAB COc1ccc(CNC(=O)[C@H](C)N2CCCN(S(C)(=O)=O)CC2)cc1OC 22964409 IICIKVZDSYUOPY-AWEZNQCLSA-N 399.513 0.676 0 40 GCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)N1 54535524 LVQFWELYFMLJLL-UHFFFAOYSA-N 393.343 0.948 0 40 GCAB Cc1cc(NC(=O)COc2coc(C)cc2=O)n([C@@H]2CCS(=O)(=O)C2)n1 72403474 WOMOWIASPVIUSE-GFCCVEGCSA-N 381.410 0.830 0 40 GCAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O 100182011 UGEIRJRXKBCALD-XRHKRYNHSA-N 399.447 0.908 0 40 GCAB COC(=O)C1=NN[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 100859870 CXZYHNBMQZRGSN-RKDXNWHRSA-N 399.144 0.281 0 40 GCAB CS(=O)(=O)N1CC[C@@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@@H]2C1 306130937 JSVJBRRUNYZQTG-SJORKVTESA-N 378.498 0.798 0 40 GCAB COc1ncccc1CN1Cc2ccnn2[C@H](CNS(=O)(=O)C2CC2)C1 306131045 JVHGQKMVORSNBM-OAHLLOKOSA-N 377.470 0.925 0 40 GCAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 575424036 JPKKXFJIIXJHSZ-NEPJUHHUSA-N 396.874 0.530 0 40 GCAB Cc1nn(C)c(C)c1[C@@H](NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F 626476240 OHJXXHMYVFFPNY-NQBHXWOUSA-N 387.366 0.859 0 40 GCAB CN1C[C@]2(COCC1=O)CN(C(=O)c1csnn1)C[C@H]2N(C)CC1CC1 1565553220 PACWBPQRZFWLKA-RHSMWYFYSA-N 379.486 0.179 0 40 GCAB Cc1nc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)cs1 1614932500 AMZMLBTZRUBMLQ-QGZVFWFLSA-N 390.469 0.996 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 3529965 JWPKQYPQPVGDHN-KBPBESRZSA-N 384.454 0.452 0 40 GCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 5896442 KUADTSUAEFMXSE-UHFFFAOYSA-N 382.468 0.922 0 40 GCAB Cc1csc2nc(Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)cc(=O)n12 6553376 LAKUQCSGWMSEFM-UHFFFAOYSA-N 392.828 0.513 0 40 GCAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CC(N)=O)cs1 8745326 BNYIDDYHTCPLDQ-QMMMGPOBSA-N 386.430 0.616 0 40 GCAB COc1ccccc1-c1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1N 9713971 OXSBITMRBPYPKX-JTQLQIEISA-N 397.482 0.063 0 40 GCAB CCn1nnc2c(N3CCN(C(=O)COc4ccccc4OC)CC3)ncnc21 13533294 LEAZYAYUDFZEOF-UHFFFAOYSA-N 397.439 0.977 0 40 GCAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1=O 13686288 VCPJMEGTBGBMQN-UHFFFAOYSA-N 396.450 0.980 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)N[C@H]2CCOc3ccccc32)n(C)c1=O 19660323 DTEAHBZKXNGMSU-ZDUSSCGKSA-N 383.408 0.464 0 40 GCAB O=C(C1CC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 23673984 SAMHJYVOXPEEQZ-UHFFFAOYSA-N 380.470 0.161 0 40 GCAB COc1cc2c(cc1OC)-c1c(c(C(=O)N[C@@H]3CCS(=O)(=O)C3)nn1C)C2 32092012 BPAYAKVCBWQCOM-LLVKDONJSA-N 391.449 0.925 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCS(N)(=O)=O 32937090 FOKZMPZUIYUOEG-UHFFFAOYSA-N 389.499 0.188 0 40 GCAB CN1[C@@H](CCC(=O)N2CCOCC2)CNC(=O)[C@@H]2[C@H]1CCN2C1CCCCC1 35442510 ZOHMUWATTOVSCX-NSHGMRRFSA-N 392.544 0.831 0 40 GCAB biogenic,in-vitro O=C(CN1CCN(c2ccccc2)C1=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 49378662 DPJDTTHKAMKDMD-QGZVFWFLSA-N 386.452 0.778 0 40 GCAB CCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COCC 79019101 UXQKYBCCDLESLY-AWEZNQCLSA-N 387.477 0.624 0 40 GCAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)C1 96000245 GDPXUCORSWXXMR-MRXNPFEDSA-N 393.509 0.495 0 40 GCAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(-n2cncn2)nc1 96307042 WOUYJNBUBSYFQO-GASCZTMLSA-N 382.424 0.844 0 40 GCAB O=C(C[C@@H]1CCCO1)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108455667 CWMAYBXRZHWLNZ-ULQDDVLXSA-N 393.509 0.819 0 40 GCAB CC(=O)N1CC(OCC(=O)Nc2ccccc2-n2ncc3c(O)ncnc32)C1 585088629 JJGKPAGPBSPKRX-UHFFFAOYSA-N 382.380 0.707 0 40 GCAB COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(C(C)=O)CC1 585262787 GBYAJHUVDMHIOO-QZTJIDSGSA-N 381.517 0.852 0 40 GCAB O=S(=O)(c1ccnn1CCc1ccccc1)N1CC(N2CC[C@@H](O)C2)C1 621292328 WFVBQPWDHXBPRG-QGZVFWFLSA-N 376.482 0.565 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2O1 2055718411 XKXBOWAMKSOMFI-IMJJTQAJSA-N 382.486 0.326 0 40 GCAB CS(=O)(=O)CC(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738920 AFDYZJKZJYYLCY-JTQLQIEISA-N 381.410 0.216 0 40 GCAB CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2S1(=O)=O 1323254 DZYBRGUNKNPEKM-DZSWIPIPSA-N 391.037 0.301 0 40 GCAB biogenic Cn1c(=O)c2c(ncn2CC(=O)OCc2nc3ccccc3s2)n(C)c1=O 3280750 SGSOPTPHFMFKKJ-UHFFFAOYSA-N 385.405 0.787 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 3529963 JWPKQYPQPVGDHN-ZIAGYGMSSA-N 384.454 0.452 0 40 GCAB CCOC(=O)Cn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4384182 JLLQEHPUIHEROX-STQMWFEESA-N 391.472 0.475 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O 5460606 XOOHSSFXDDVBAM-MIGQKNRLSA-N 394.541 0.420 0 40 GCAB COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C(=O)OC)(C(=O)OC)[C@H]2C=C1 5798228 ZVSOSRUQIMSCAH-XHSDSOJGSA-N 397.387 0.701 0 40 GCAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 13510457 KQHNDBIAEATMDW-UHFFFAOYSA-N 376.461 0.528 0 40 GCAB CC(C)(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18232572 VRXRUJPEPZGJRP-LBPRGKRZSA-N 375.425 0.842 0 40 GCAB CNCc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 19709642 LSVJWPXTHLYKQT-AWEZNQCLSA-N 382.534 0.782 0 40 GCAB O=C(CCC(=O)NCc1ccc2c(c1)OCO2)NCCCN1CCOCC1 23234577 QEWSJNDGRIKLCJ-UHFFFAOYSA-N 377.441 0.650 0 40 GCAB Cc1ccc(NC(=O)NC(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 25064005 LPWCJBSKWWJQHZ-LBPRGKRZSA-N 398.423 0.960 0 40 GCAB COc1cccc(C(=O)NCCNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 26374951 WRPWRKXKMBQWMX-IBGZPJMESA-N 388.424 0.262 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 31837363 BMIIPBOVYKIKLB-LJQANCHMSA-N 388.424 0.754 0 40 GCAB CCc1ccc(Cc2ccc3c(c2)[C@@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 35826341 VWVKUNOPTJGDOB-QMCAAQAGSA-N 386.444 0.997 0 40 GCAB COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 72245339 HENWXJWQIKSJNL-ZRNJWLGYSA-N 392.408 0.434 0 40 GCAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 84370681 QNVSCAAQDDFNIB-KGLIPLIRSA-N 387.889 0.984 0 40 GCAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O 96036446 POIBRQNTVIFHLS-SFHVURJKSA-N 393.513 0.577 0 40 GCAB CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)N4CCOCC4)cn23)CC1 96156068 JFHLKDDTKKBZRL-UHFFFAOYSA-N 392.481 0.493 0 40 GCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CCO2)cn1 97012603 BHDUCNJICFZZKZ-MRXNPFEDSA-N 376.438 0.468 0 40 GCAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 97162151 FJHSSXFCAZODDP-UHFFFAOYSA-N 380.386 0.072 0 40 GCAB Cc1cc(O)nc(=O)n1[C@@H]1CN(C(=O)CC2(CC(=O)O)CCCC2)C[C@H]1O 257290710 QEAKSDYLOMXZNO-CHWSQXEVSA-N 379.413 0.427 0 40 GCAB C[C@H](C(=O)NCCn1nc(-n2cccn2)ccc1=O)n1nc(C2CC2)ccc1=O 575621620 ZTYNSXKWYQULIW-CYBMUJFWSA-N 395.423 0.241 0 40 GCAB CN1CC(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC1=O 643570278 WERLVPBZVHRAQX-ZDUSSCGKSA-N 377.397 0.007 0 40 GCAB Cc1noc(C)c1CN1C[C@@]2(COCCN(CC(=O)N3CCCC3)C2)CC1=O 1565542995 UYQPEUWMGMWIET-HXUWFJFHSA-N 390.484 0.965 0 40 GCAB CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 608191 VVUYEFBRTFASAH-UHFFFAOYSA-N 385.468 0.339 0 40 GCAB biogenic,in-man CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1 1330352 GTFDZWOZZQXWIC-UHFFFAOYSA-N 390.483 0.465 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccc(Cl)cc2)n(C)c1=O 4943438 BTXYYQMWYSDWEM-UHFFFAOYSA-N 375.816 0.794 0 40 GCAB O=C(COC(=O)C1=COCCO1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7655553 VWYNXNKBLVNCKW-UHFFFAOYSA-N 396.421 0.841 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 8855938 SIEXEYMGXVURAX-BMLIUANNSA-N 395.485 0.336 0 40 GCAB CC(=O)c1ccc(NC(=O)CN2CCN(c3ncnc4c3nnn4C)CC2)cc1 13533831 GVTNFDJKNQCGOE-UHFFFAOYSA-N 394.439 0.722 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(F)cc1 20674685 ZJEIFNBWZMJZNZ-LSDHHAIUSA-N 376.388 0.306 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 22740716 IXJGQDZICWNXRB-INIZCTEOSA-N 388.511 0.665 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)C1 26838374 CYNKHMDAWGLULD-OAHLLOKOSA-N 393.469 0.877 0 40 GCAB Cc1ccc(-c2nnn(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)n2)cc1 36384763 GWHNFWQAIZQKTG-UHFFFAOYSA-N 399.499 0.707 0 40 GCAB CNCCCNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 40287197 NUECMJDWMPGZTK-UHFFFAOYSA-N 398.485 0.289 0 40 GCAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1N1CCCC1=O 44885034 YTLKNNSRCQBFGH-UHFFFAOYSA-N 397.497 0.823 0 40 GCAB O=C(Cn1cnnn1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999106 QMWBSHBBXNZLRZ-CQSZACIVSA-N 376.442 0.057 0 40 GCAB Cc1cc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)ccc1OCC(N)=O 226687802 SPCXYVXNSQDHEY-UHFFFAOYSA-N 397.497 0.784 0 40 GCAB Cc1c(Cl)cccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 242422414 BJLNTANWTXBDPY-UHFFFAOYSA-N 389.905 0.863 0 40 GCAB COc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575616774 ZNSORTWFMKWIHN-UHFFFAOYSA-N 398.485 0.268 0 40 GCAB CN(CCc1ccccn1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290908 XTSNNBDXHDWCEM-MOPGFXCFSA-N 391.493 0.352 0 40 GCAB Cn1c(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nc2c1c(O)nc(=O)n2C 677511822 XQPKLGTVQTXDSS-CABZTGNLSA-N 377.351 0.963 0 40 GCAB NC(=O)c1cc(OC2CN(c3ccc4nnc(C(F)(F)F)n4n3)C2)ccn1 1889151914 HZNAJGOYIMXDSB-UHFFFAOYSA-N 379.302 0.905 0 40 GCAB COc1ccc2c(C)c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1C 2156076 HYOPRNIGXKNUBP-UHFFFAOYSA-N 376.365 0.278 0 40 GCAB biogenic COc1ccc(CCNCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 3440357 CAKLHQCBFNXETI-UHFFFAOYSA-N 391.493 0.834 0 40 GCAB Cn1c(=O)c2[nH]c(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nc2n(C)c1=O 4818404 WUOXQPNMJWGRRP-CMDGGOBGSA-N 394.435 0.322 0 40 GCAB CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1 4957410 ZNZCHAWVQBMEEE-UHFFFAOYSA-N 382.468 0.428 0 40 GCAB C[C@H](OC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)NC(N)=O 5981410 IOCYOFONXPNKGX-YALKKGATSA-N 395.412 0.843 0 40 GCAB CC(C)Cn1c(N)c(C(=O)CSc2nnnn2C2CCCC2)c(=O)[nH]c1=O 11264786 ZXRYHSGALAHXBK-UHFFFAOYSA-N 393.473 0.851 0 40 GCAB CSc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(N)c1S(C)(=O)=O 12415076 OWQFPROLKBHJQA-UHFFFAOYSA-N 384.439 0.958 0 40 GCAB CC(=O)c1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12905429 UHOIUZAAXCNVLX-CQSZACIVSA-N 377.422 0.993 0 40 GCAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCN(S(C)(=O)=O)CC3)ccc12 20426931 ABNYUPSKBASJKR-AWEZNQCLSA-N 396.465 0.418 0 40 GCAB biogenic COc1cc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc(Br)c1O 20738807 JQKIMXUNHXMKOB-VIFPVBQESA-N 397.185 0.775 0 40 GCAB CC(C)C(=O)N1CCC(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 25937665 WERONJKOFWSPCL-UHFFFAOYSA-N 399.499 0.907 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C)c1 31413324 HQDUPUWSWOUMHN-UHFFFAOYSA-N 386.380 0.580 0 40 GCAB CCc1cc2c(=O)n(NC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)cnc2s1 32869857 VJPOBSBBHJAAGJ-UHFFFAOYSA-N 375.410 0.408 0 40 GCAB C[C@@H](C(=O)N(C)CC(=O)NCc1cccc(NS(C)(=O)=O)c1)n1cccn1 40155447 ZIDUJOOSLSAXFZ-ZDUSSCGKSA-N 393.469 0.590 0 40 GCAB COc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1OCC(=O)NC1CC1 56175193 LWANJBYHCIPHAO-LLVKDONJSA-N 376.413 0.705 0 40 GCAB CN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H](CNC(=O)OC(C)(C)C)C1 89662616 IJPWKTFQXGTVAK-CHWSQXEVSA-N 390.506 0.024 0 40 GCAB COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 245228792 FPRPJYTYDKSJPK-DKCFPVTFSA-N 378.431 0.718 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1 257274635 NLYCMYVYDQLOQB-LJQANCHMSA-N 377.489 0.378 0 40 GCAB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C(=O)C2CC2)C3)cc1 604381946 WFJKGECBDWALKV-QGZVFWFLSA-N 385.464 0.843 0 40 GCAB biogenic,in-vitro CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1ccnc(N2CCOCC2)n1 640510574 QCFBMWCVZNWIPA-CVEARBPZSA-N 375.473 0.542 0 40 GCAB Cc1nn(CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(=O)n1C 653613622 VFOKGQYIHHNRMN-UHFFFAOYSA-N 395.822 0.667 0 40 GCAB CCNc1nc(Oc2ccc(OCC(=O)OC)nn2)nc(N2CCOCC2)n1 1443802 NZMMCDAXKPKPFN-UHFFFAOYSA-N 391.388 0.274 0 40 GCAB COc1cc2oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c(C)c2cc1Cl 2113067 WTLFVEAWBFMUTP-UHFFFAOYSA-N 396.783 0.623 0 40 GCAB biogenic CCOC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O 4428338 YDQFEYZKJCQJIE-ZRUFSTJUSA-N 376.358 0.296 0 40 GCAB CCN1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)CC1 22929792 MXEHVXHYEIEMGY-UHFFFAOYSA-N 399.495 0.481 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cnn(-c2ccccc2)c1 29121797 VHOMZIVQBHNHDA-MRXNPFEDSA-N 376.482 0.998 0 40 GCAB CC1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)[C@H]3CCCO3)CC1)C2=O 33034013 JVKZRTBSRDLMMP-XAUUPUKJSA-N 378.473 0.768 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375350 HWFXDYWQMGAYIQ-DDRWEVQISA-N 384.436 0.471 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 40086468 LTGVBVWUVNFBMP-QWHCGFSZSA-N 380.422 0.067 0 40 GCAB C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41314928 UGDWHIPIFNCPHB-HUUCEWRRSA-N 381.498 0.872 0 40 GCAB COCCS(=O)(=O)N1CCC(NC(=O)COc2ccccc2OC)CC1 72265408 DWTVUYKMQHWEQZ-UHFFFAOYSA-N 386.470 0.631 0 40 GCAB CN1C[C@H](C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)CC1=O 72325339 GWYGFJZOQKUUJU-SZNDQCEHSA-N 398.463 0.798 0 40 GCAB O=C(Cn1cnnn1)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77100910 OSIHIYDASNMRSA-UHFFFAOYSA-N 379.428 0.424 0 40 GCAB Cn1c(=O)c2c(nc(S)n2C[C@H](O)COc2ccc(Cl)cc2)n(C)c1=O 100492566 OKCCYQBYSQUXNL-JTQLQIEISA-N 396.856 0.816 0 40 GCAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1ncccc1=O 206802945 SRMLKCFOYNKLCQ-TZMCWYRMSA-N 375.356 0.604 0 40 GCAB COc1nccnc1O[C@@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1 225806488 SIBFDBJHCSVCNV-CYBMUJFWSA-N 381.392 0.875 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ncn[nH]2)cc1 226035269 HPEIVOOAYLGQJU-UHFFFAOYSA-N 385.471 0.342 0 40 GCAB COc1cc(N2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)ncn1 306125312 CMGNATMEVUKSGC-ZDUSSCGKSA-N 378.458 0.715 0 40 GCAB COc1ncccc1CN1CC[C@@]2(CCn3c2nnc(-c2nccn2C)c3=O)C1 306132823 LTEUIFLOLRUUBO-HXUWFJFHSA-N 393.451 0.990 0 40 GCAB CN(C(=O)c1cnn(-c2ccccc2)n1)C1CN(c2ccc3nncn3n2)C1 585592298 BHDPWEYHSUGTPR-UHFFFAOYSA-N 375.396 0.666 0 40 GCAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 3531280 GMIYUHYXRJBEOV-OAHLLOKOSA-N 391.449 0.949 0 40 GCAB CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1 7046471 BOBIXIDQOATLCW-AWEZNQCLSA-N 382.438 0.042 0 40 GCAB C[C@@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9576885 VBTSXYZABBTYPG-GHMZBOCLSA-N 384.483 0.589 0 40 GCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3cnccn3)CC1)C2=O 11543245 RTVYGDDYDZSRAN-KUHUBIRLSA-N 386.456 0.626 0 40 GCAB COCCCNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12030945 VFHUHOVHJHILOE-GFCCVEGCSA-N 393.458 0.553 0 40 GCAB CC(=O)c1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12786770 UNNSAUADRPHKAY-LBPRGKRZSA-N 377.422 0.993 0 40 GCAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1C(F)(F)F)c(=O)n2CC(N)=O 13228008 CAKMLEBYXVTMPT-UHFFFAOYSA-N 394.313 0.494 0 40 GCAB CN(C)Cc1ccccc1CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 22529796 SJMUTGKCVIBBJQ-UHFFFAOYSA-N 381.436 0.624 0 40 GCAB CS(=O)(=O)N1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 24924457 OEYQPVOGIPVZFF-UHFFFAOYSA-N 389.905 0.802 0 40 GCAB COCCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826510 FKVGYOCSWLBFDK-SJORKVTESA-N 394.493 0.697 0 40 GCAB O=C(CCNC(=O)c1ccco1)NCCS(=O)(=O)N1CCc2ccccc21 40089575 HYKWSJMIIZWMIW-UHFFFAOYSA-N 391.449 0.908 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 57730077 QUYYIIQREYRZKF-SNVBAGLBSA-N 375.414 0.271 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)[C@H]1CC(=O)N(c2ccccc2)C1 225795107 KUCLNVDGKQWJOV-ZDUSSCGKSA-N 393.403 0.254 0 40 GCAB O=S1(=O)N[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2Oc2ncccc21 514289999 QUBBENWSSWQBGZ-DOMZBBRYSA-N 375.406 0.734 0 40 GCAB biogenic,in-vitro NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(O)nn2)CCO1 585282151 AVYWVKUNDZXMGR-SFHVURJKSA-N 390.371 0.487 0 40 GCAB Cc1nc(C)n(CC(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)n1 643586986 OJEPTRRKLXFHFS-JKSUJKDBSA-N 385.424 0.454 0 40 GCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)c1csnn1)C2 1614929611 LBJQQDZLAOWQMQ-JTQLQIEISA-N 378.458 0.529 0 40 GCAB CCn1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 2806682 HWCWUEQIHDATHQ-CYBMUJFWSA-N 380.474 0.354 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc2c(c1)OCCO2 4278125 TUPNUUPMDDHANT-UHFFFAOYSA-N 396.355 0.887 0 40 GCAB CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(=O)[nH]c1=O 6785426 SQGHJKAANCRTII-UHFFFAOYSA-N 391.403 0.421 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8735830 UCVBYXJEHYHDNJ-UHFFFAOYSA-N 379.479 0.719 0 40 GCAB O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(C[C@H](O)CO)CC2)N1 12098598 UTCDFJSUOHRATF-PXNSSMCTSA-N 375.469 0.653 0 40 GCAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 12738889 BSBKTEXCXSZJQR-UHFFFAOYSA-N 383.451 0.837 0 40 GCAB CCOC(=O)C1=C(COC(=O)Cc2ccc(OC)c(OC)c2)NC(=O)NC1 12980483 SGZFMBHLJGKATP-UHFFFAOYSA-N 378.381 0.920 0 40 GCAB CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(S(C)(=O)=O)CC1)C2=O 12990262 YHDUUEMXJTWSOD-UHFFFAOYSA-N 386.474 0.190 0 40 GCAB COc1ccc(NC(=O)CN2CCCN(CC(=O)N(C)C)CC2)c(OC)c1 24675883 KSANOCZNFWMTTL-UHFFFAOYSA-N 378.473 0.738 0 40 GCAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@H]1CCOC1=O 25193719 RPSSPYMRIHDGCR-NSHDSACASA-N 381.381 0.739 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(=O)n(CCOc2ccccc2)n1 32784499 ZPTVTAMEPQMQNW-CYBMUJFWSA-N 377.422 0.239 0 40 GCAB CCN1CCN(C(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)CC1 35828508 STUNYKPONRMWHR-UHFFFAOYSA-N 392.481 0.723 0 40 GCAB Cc1cc(=O)n(CC(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)cn1 56903593 QDYIBGLRZOPEQN-UHFFFAOYSA-N 391.435 0.753 0 40 GCAB C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 105353182 IRPYICWEKOXUOT-PVTRLXIZSA-N 375.400 0.725 0 40 GCAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)Cn2ccccc2=O)cc1 206888996 ODTGXMGSGYFKGE-MRXNPFEDSA-N 392.477 0.750 0 40 GCAB CC(C)Oc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 220108553 BNPBTWWUWBQLJZ-UHFFFAOYSA-N 399.513 0.688 0 40 GCAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220650887 RQSIMPQKGTYDJJ-QGZVFWFLSA-N 399.513 0.688 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccn3)C(=O)[C@@H]12 409277300 AOYCYMOMLKBUFN-GJRWTSMGSA-N 386.360 0.343 0 40 GCAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cnccn2)C1 585112383 OMKLCQYXRCLXCE-ZDUSSCGKSA-N 378.458 0.590 0 40 GCAB COCCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)C2(F)CC2)C1 1614933232 ISTPUHNWJWHACA-KRWDZBQOSA-N 379.436 0.711 0 40 GCAB Cn1nccc1[C@@H]1CN(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)C[C@H]1N 1615588262 APRVRHKFGALXDW-IAGOWNOFSA-N 386.481 0.862 0 40 GCAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 851190 MPWLVKLYSAQSJO-CHWSQXEVSA-N 380.422 0.965 0 40 GCAB Cc1c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)cnn1C 2806638 YTCCLARHEIAYHJ-ZDUSSCGKSA-N 380.474 0.179 0 40 GCAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NC(N)=O 4916940 IDTSYSXDSFLHPZ-SSDOTTSWSA-N 395.796 0.274 0 40 GCAB CN(C)c1cc([C@H]2CCCNC2)nc(CN(C)S(=O)(=O)N2CCOCC2)n1 19710020 UPCFIPVXCQVPDR-AWEZNQCLSA-N 398.533 0.018 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)NCc3cccnc3)CC2=O)cc1 31820807 LBKDOSPMHOMHKX-HNNXBMFYSA-N 382.420 0.876 0 40 GCAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 36398757 NJMDBAXNHKTVKV-LBPRGKRZSA-N 384.433 0.072 0 40 GCAB Cn1nc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 48333345 NUMSIGYUZQKFAD-UHFFFAOYSA-N 378.435 0.572 0 40 GCAB COCCOc1ncccc1C(=O)N1CCN(C(=O)N2CCOCC2)CC1 58266882 WVYLNLAAKLSQJJ-UHFFFAOYSA-N 378.429 0.317 0 40 GCAB CN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(C(=O)c4cnccn4)C3)C2)CC1 96225672 OUYRLXSQUYITGX-LJQANCHMSA-N 386.456 0.390 0 40 GCAB COc1nc(CNC(=O)c2cc3ccccc3oc2=O)nc(N2CCOCC2)n1 575606383 HXDKKOYFXXDZLB-UHFFFAOYSA-N 397.391 0.753 0 40 GCAB COCCCOCC(=O)NC[C@]1(C)CN(CC(=O)NCC2CCC2)CCO1 1615610991 SVFCPCNBXIZEJA-LJQANCHMSA-N 385.505 0.163 0 40 GCAB OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O 4916578 VCRUCRQMQNMLHN-XQCUEUFKSA-N 392.412 0.869 0 40 GCAB COc1ccc(Cl)c(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)c1 5026466 GGSPUKWSCXSWRB-UHFFFAOYSA-N 393.831 0.548 0 40 GCAB COc1cccc(CNC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 6636974 HDBJCYWVRQVXMG-UHFFFAOYSA-N 391.815 0.412 0 40 GCAB CCNC(=O)CN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 12923727 LQUVCLNRJADFHF-UHFFFAOYSA-N 377.488 0.084 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)c2ccc3c(c2)nnn3CC)c(=O)[nH]c1=O 13165411 JYKGBTYXFWTBAO-UHFFFAOYSA-N 385.428 0.960 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)OCC(=O)N1CCc2sccc2C1 14314111 AFEGMHPVKJWNDT-UHFFFAOYSA-N 384.417 0.981 0 40 GCAB CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccccc2)CC1 20503851 GDUDALXBWJLERD-GBESFXJTSA-N 392.569 0.923 0 40 GCAB biogenic,in-vitro Cc1cc(Cl)ccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20567893 WKJVGEWQORZZNL-UHFFFAOYSA-N 389.905 0.863 0 40 GCAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nccs4)CC3)cc2[nH]c1=O 25168109 RXKYHMMZXOPIDA-UHFFFAOYSA-N 393.450 0.184 0 40 GCAB COc1ccc([C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)N2CCOCC2)cc1 39996838 KKLKEUCNLUJWJI-WBVHZDCISA-N 382.482 0.619 0 40 GCAB Cn1cc(C(=O)NC2CCN(C(=O)CNC(=O)OCC(F)(F)F)CC2)cn1 95957339 NSIMPAQFCNESNX-UHFFFAOYSA-N 391.350 0.429 0 40 GCAB COc1ncccc1CN1CC[C@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 306124462 BQLCNVIOHAFSIW-FQEVSTJZSA-N 399.451 0.394 0 40 GCAB Cc1cc2c(cc1S(=O)(=O)NC(=O)CCc1cn(C)nc1C)OCC(=O)N2 585270264 AYCINGKDWPMMIA-UHFFFAOYSA-N 392.437 0.806 0 40 GCAB COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 585291149 LGGKYHHPDNFGQG-KCILRPRFSA-N 379.501 0.751 0 40 GCAB CCN1CCN([C@@H]2CCN(c3nnc(-c4cn(C)nn4)n3CC3CC3)C2)CC1 597452217 UORBUIXVQZSALD-MRXNPFEDSA-N 385.520 0.700 0 40 GCAB COc1cc(NCCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)ncn1 1630693919 KIMNXNSASKMAQR-CYBMUJFWSA-N 397.439 0.742 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(O)CSCCSC2)cc1 1888946454 MRLFKZQEWQEDQR-UHFFFAOYSA-N 390.552 0.878 0 40 GCAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CN(S(=O)(=O)C3CC3)C[C@H]1O2 2055738596 BBGZTZPHSKENQB-DETPVDSQSA-N 380.422 0.935 0 40 GCAB O=C1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CCN1 3422158 MJFVIKBPEHUHLL-UHFFFAOYSA-N 386.374 0.912 0 40 GCAB COc1ccc([C@H]2N(NC(=O)c3ccncc3)C(=O)CS2(=O)=O)cc1F 5812958 TUSBLEDSMUAGJR-INIZCTEOSA-N 379.369 0.830 0 40 GCAB CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(N)=O 8076038 DLCQDKNZTBGGOD-AWEZNQCLSA-N 378.429 0.045 0 40 GCAB COc1ccc(NC(=O)CN2CCC3(CC2)NC(=O)N(C)C3=O)c(OC)c1 8769246 NRHYXCVYGKSBMK-UHFFFAOYSA-N 376.413 0.659 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccnn1Cc1cccs1)c(=O)n2C 8774648 WQBOLMQSLLVSKA-UHFFFAOYSA-N 399.436 0.379 0 40 GCAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc(OC)c1OC 11665666 BGSSHDJMHOAOIL-VFZGTOFNSA-N 377.397 0.543 0 40 GCAB COc1ccc(CN(Cc2c(C)n(C)c(=O)n(C)c2=O)C[C@H](C)O)cc1OC 12185518 PVPOZPZUDJDRGW-ZDUSSCGKSA-N 391.468 0.793 0 40 GCAB Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCCC(=O)O)cc2oc1=O 12296512 NTEWGLXRBFBJTO-UHFFFAOYSA-N 376.365 0.496 0 40 GCAB biogenic CCN1CCN(S(=O)(=O)CCNC(=O)c2cc(=O)c3ccccc3o2)CC1 12422849 RZNSIYKITLEDDG-UHFFFAOYSA-N 393.465 0.490 0 40 GCAB O=C(CCN1C(=O)CCC1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 13006905 BXKKCOGHHMMOIG-UHFFFAOYSA-N 393.465 0.495 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 14217920 RKURIIUJEZATIJ-UHFFFAOYSA-N 397.482 0.492 0 40 GCAB CCOC(=O)c1cc(NC(=O)C[C@H]2NCCNC2=O)cc(C(=O)OCC)c1 17077172 DOEZDWNHDWDHAM-CQSZACIVSA-N 377.397 0.457 0 40 GCAB Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCOCC1 21156114 SZBLKMYRPFZNBS-SFHVURJKSA-N 388.443 0.970 0 40 GCAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 30697796 MGSFPXWPDZYRCG-UHFFFAOYSA-N 380.514 0.174 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@H](C(F)(F)F)C1 32841760 HJODHMLTWDMOLM-WDEREUQCSA-N 395.403 0.953 0 40 GCAB O=C(O)CNC(=O)CNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49547233 SHGYEEBSNKGTLA-UHFFFAOYSA-N 394.387 0.381 0 40 GCAB Cc1ccc2cc(C)c3nn(CCNC(=O)[C@@H]4CSCC(=O)N4)c(=O)n3c2c1 57740206 UMKGTVURFXEPJT-AWEZNQCLSA-N 399.476 0.614 0 40 GCAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)N(C)C)CC1 95948725 SONQIFLYWXVCND-OAHLLOKOSA-N 380.514 0.778 0 40 GCAB O=C(c1cc[nH]n1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96145470 VAVGEWNSFMOSKH-GDBMZVCRSA-N 375.454 0.871 0 40 GCAB CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@@]2(CC(=O)N(C)C2)C1 96262072 YAYMAUWGYGYGFR-GOSISDBHSA-N 394.497 0.419 0 40 GCAB O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102505468 AFNIWSWAXBXXGT-LWWSYDQCSA-N 392.371 0.627 0 40 GCAB CCn1ncc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1C(=O)Nc1cnn(C)c1C 102628365 RXPBIVTWLKPDDB-KBUPBQIOSA-N 398.423 0.864 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 575616440 PPQJDDMSPVVRTR-INIZCTEOSA-N 383.470 0.461 0 40 GCAB O=C(NCCN1CCNC1=O)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101322 YCSRZNWBZMQBEZ-IBGZPJMESA-N 386.456 0.334 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)N2CCCN([C@@H]3CCSC3)CC2)C1=O 1565523775 VKXGSZGWPFGKSD-GFCCVEGCSA-N 376.504 0.317 0 40 GCAB COc1ccccc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242955 LJIIOEWOURSLSA-HNNXBMFYSA-N 394.493 0.799 0 40 GCAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363918 LLVYFMTYXDPIPT-CYBMUJFWSA-N 378.458 0.588 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCCC(=O)O)CC2=O)cc1 4088003 FHQBKWQNISXYJN-NWDGAFQWSA-N 377.397 0.144 0 40 GCAB biogenic CN(C)S(=O)(=O)c1cccc(COC(=O)CN2C(=O)NC(C)(C)C2=O)c1 6599135 AGHLGWOHOUETDQ-UHFFFAOYSA-N 383.426 0.311 0 40 GCAB Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCOCC1 6605063 NAVZSJJHMSJNCO-UHFFFAOYSA-N 384.380 0.199 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCOC3=O)c2)C[C@H](C)O1 7562191 AJZNPYAUOHWYHG-SLEUVZQESA-N 383.422 0.957 0 40 GCAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9047690 APTIUAJCYFFZAK-UHFFFAOYSA-N 399.451 0.764 0 40 GCAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O 9489602 JUSOUUDZPSLFAM-UHFFFAOYSA-N 396.425 0.160 0 40 GCAB CC(C)NC(=O)NC[C@H]1O[C@@H](Cc2nc(-c3ccc(F)cc3)no2)[C@H](O)[C@@H]1O 12603468 MFEJDPJURGODKH-LQKXBSAESA-N 394.403 0.615 0 40 GCAB biogenic,in-vitro COc1ccc(C(=O)Nc2ccn(C)n2)cc1S(=O)(=O)N1CCOCC1 12974859 RPYQSOOCRKUIHQ-UHFFFAOYSA-N 380.426 0.702 0 40 GCAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16790347 TZYLCGPSUSXFPZ-GXTWGEPZSA-N 394.449 0.662 0 40 GCAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)COc1ccc(C)cc1)CC2 16986865 CVTFASLMEQSIHU-UHFFFAOYSA-N 385.420 0.816 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2-n2cnnn2)cc1 20737645 QRGAGZBAYXEYLQ-UHFFFAOYSA-N 376.373 0.379 0 40 GCAB O=C1COc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2N1 21527717 ULIGTPRKCUEGJE-UHFFFAOYSA-N 375.410 0.318 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25029004 KPLGDIKOKLTQIN-CABCVRRESA-N 389.408 0.308 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)C[C@@H](C)O1 26776647 MDURUIQUSNIBPS-PHIMTYICSA-N 390.897 0.188 0 40 GCAB Cn1cc(C(=O)CN2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cn1 78878936 STINYLVVHUBRDJ-UHFFFAOYSA-N 398.467 0.292 0 40 GCAB O=C(CCc1ccc(O)c(Cl)c1)N1CCN(C(=O)CN2CCOCC2)CC1 95468984 OGFCMDNXYOYBQB-UHFFFAOYSA-N 395.887 0.981 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 96104180 JHZVHPFPPBEUKQ-UHFFFAOYSA-N 378.410 0.622 0 40 GCAB O=C(NCCN1CCOCC1)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1 96225688 IMDGXVHKOFBLBX-KRWDZBQOSA-N 379.486 0.312 0 40 GCAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 223056639 JOWTWZMEGOKWCJ-UHFFFAOYSA-N 395.481 0.538 0 40 GCAB O=C(O)CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423734 QXPOQKCAXAZJST-CABCVRRESA-N 399.446 0.073 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)Cc2ccccc2)nc(N2CCOCC2)n1 575608969 ZLIYJJWOOBDWPK-UHFFFAOYSA-N 392.485 0.394 0 40 GCAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)[C@H]1CCS(=O)(=O)C1 575615231 CPNWFTRVFAJOBI-NSHDSACASA-N 386.857 0.612 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3nccc(N4CCCC4)n3)CC2)C[C@H](C)O1 2086889260 WURVJAPTYYADLD-IRXDYDNUSA-N 388.516 0.835 0 40 GCAB CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)[C@H]1CCS(=O)(=O)C1 5943738 GNHAAOVZKNNSKU-LBPRGKRZSA-N 383.499 0.869 0 40 GCAB CCCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n[nH]c1=O 8936511 IHECDLGYOVFQNS-UHFFFAOYSA-N 396.473 0.055 0 40 GCAB COCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 9850082 PNVYSNVHHQYKKK-UHFFFAOYSA-N 383.412 0.514 0 40 GCAB CCN1C[C@@H](C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O 19526859 IHWZIDVXLFRRMK-CABCVRRESA-N 385.468 0.566 0 40 GCAB CCC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 29754720 IJUBGHXIZCWBLA-CYBMUJFWSA-N 383.470 0.443 0 40 GCAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1)C(=O)OC 36575295 LQASKYIBVYEDEW-CJNGLKHVSA-N 387.396 0.567 0 40 GCAB biogenic COc1ccc(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cn1 45374038 RRUXMMSOTNHLPV-UHFFFAOYSA-N 382.428 0.799 0 40 GCAB COCc1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c(N2CCOCC2)n1 67219764 KXGLVPHUCLTKHN-UHFFFAOYSA-N 388.424 0.874 0 40 GCAB CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)CC1 77264390 FWRVTHOQEANRFR-KURKYZTESA-N 379.432 0.284 0 40 GCAB biogenic,in-vitro CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)CC1 95993633 RSPNMCUYOINZJZ-LBPRGKRZSA-N 386.522 0.804 0 40 GCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)O1 96243556 QSKNSHCGAJESKD-MRXNPFEDSA-N 398.419 0.888 0 40 GCAB Cc1cncc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)c1 306125011 CELVKJLCKBSDEB-JKSUJKDBSA-N 381.436 0.778 0 40 GCAB CC(=O)N1C[C@H]2CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn3[C@H]2C1 306128357 GYNGQUAANFXZAB-CVEARBPZSA-N 381.436 0.918 0 40 GCAB CCCCC[C@@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 514288246 YAZBAPFSBSLGJA-AVXFYLFHSA-N 376.446 0.238 0 40 GCAB biogenic,in-vitro C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1ccccc1C(=O)N1CCOCC1 585083723 BCHZUIDRXDXKKD-GJZGRUSLSA-N 382.482 0.941 0 40 GCAB Cn1ccc(CC(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 585101188 MEQKKDKVVFKFRV-FQEVSTJZSA-N 396.451 0.812 0 40 GCAB COc1nn(C)cc1C(=O)N(C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593049 FMABKSIXQBREDI-UHFFFAOYSA-N 382.428 0.705 0 40 GCAB Cc1ccccc1-n1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1C 643431238 DBQHHZBGFAOKPQ-HNNXBMFYSA-N 377.422 0.813 0 40 GCAB CN(C[C@H]1COCCO1)c1nc2c(c(N(C)C[C@H]3COCCO3)n1)SCC2 664340380 LVAFBCJAFZHUAO-KBPBESRZSA-N 396.513 0.828 0 40 GCAB CC(C)CNC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)[C@@H]3CCOC3)C1)OC2 1565553163 MPAYKZUURXSDSK-ACJLOTCBSA-N 377.445 0.202 0 40 GCAB COC1(CC(=O)N2CCOC[C@@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)CCC1 1614930508 FBXCYVNNJLNIAL-OXJNMPFZSA-N 391.468 0.979 0 40 GCAB CC(=O)NCCN(c1ncnc2c1ncn2C[C@@]1(O)CCO[C@@H]1C)C(C)C 1614994982 RPVKEAPCKBQSPI-ACJLOTCBSA-N 376.461 0.717 0 40 GCAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)c5nccn5C)C[C@H]4C3)n1)CCC2 1888890119 TTWQRJPOXJDEOM-ZIAGYGMSSA-N 388.497 0.764 0 40 GCAB CC1CCN(C(=O)CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)CC1 1889122633 QCUNUMSFKXSHAW-UHFFFAOYSA-N 388.516 0.694 0 40 GCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2ncccn2)CC1 2055771768 WRZZZRJBUWCXHC-UHFFFAOYSA-N 390.469 0.783 0 40 GCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccnc(F)c2)CC1 2055773073 RVQHENJJLDONKQ-UHFFFAOYSA-N 375.404 0.811 0 40 GCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)OC)cc1 4694028 RGLDCHLHTFAGTB-LBPRGKRZSA-N 391.467 0.436 0 40 GCAB NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 8428681 AYLFUKNHAXUDKA-OAHLLOKOSA-N 395.481 0.481 0 40 GCAB CC(C)N(CC(N)=O)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12549197 CNKWPWUMTOEICI-OKILXGFUSA-N 397.497 0.820 0 40 GCAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc21 12562283 AGZNDBVFWNDIKK-SNVBAGLBSA-N 385.424 0.259 0 40 GCAB COc1ccccc1Nc1nc(N)nc(CN2CCN(S(C)(=O)=O)CC2)n1 12609778 CEKVLWBUWWLVHS-UHFFFAOYSA-N 393.473 0.283 0 40 GCAB C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)C[C@H](C)O1 14197727 YWSJDJYVOUJMKN-QWRGUYRKSA-N 397.544 0.442 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccco1 18077687 OOVPLFMYJIXTSM-HUUCEWRRSA-N 398.423 0.598 0 40 GCAB CCOC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 22220146 ARCGMOATVIGETD-VOJFVSQTSA-N 397.428 0.939 0 40 GCAB Cn1c(COC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc(=O)n(C)c1=O 32901245 FBYBGVPIPISTMC-GFCCVEGCSA-N 375.381 0.273 0 40 GCAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 48237399 DTUCDIMBMMQKOH-ZDUSSCGKSA-N 391.449 0.907 0 40 GCAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCOCC3)c2=O)CC1 72329908 ZSJNKECAEVRAPM-UHFFFAOYSA-N 383.470 0.128 0 40 GCAB CCN1C(=O)CC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC 77312089 RXSOPJVIOWCCCJ-NSHDSACASA-N 383.470 0.812 0 40 GCAB in-vitro CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 89885281 LDTBRLLWQACXEO-CQSZACIVSA-N 380.532 0.663 0 40 GCAB Nc1nc(N)c2c(n1)OC1(CCN(C(=O)c3ccccc3OCC(=O)O)CC1)C2 257262054 LJVQRVWMKHBPDB-UHFFFAOYSA-N 399.407 0.714 0 40 GCAB CCOC(=O)[C@H](C)NC(=O)NC1CCN(c2nccn3c(C)nnc23)CC1 575414920 QKWQKGPKDUMBLJ-NSHDSACASA-N 375.433 0.652 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(CC(=O)N3CCCCC3)CC2)n1 1889122615 HFGWEUFQAOBQJF-UHFFFAOYSA-N 388.516 0.756 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 2055816043 IFZQMCTUIODFAU-SFHVURJKSA-N 381.498 0.962 0 40 GCAB CS(=O)(=O)c1cccc2sc(N3CC(C(=O)N4CCOCC4)C3)nc12 2298214466 XIKSRKJVXKIFQU-UHFFFAOYSA-N 381.479 0.995 0 40 GCAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 5251907 DLXUTYLJBVLWRM-ZDUSSCGKSA-N 397.435 0.680 0 40 GCAB O=C(CN1CCSC1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6886973 ZJQZTQDFUCUHEE-UHFFFAOYSA-N 387.458 0.827 0 40 GCAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(S(=O)(=O)N(C)C)CC2 19711596 OCXYHYBASGOCPY-HNNXBMFYSA-N 396.517 0.756 0 40 GCAB CNC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC)cc1 22760010 OEQQNWLAPSQVHE-QGZVFWFLSA-N 387.461 0.908 0 40 GCAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)C3CCN(C(C)=O)CC3)C2=O)c1 24767875 XOXDLEWKOMGLRN-IBGZPJMESA-N 388.424 0.752 0 40 GCAB O=C(Cn1cc(Br)ccc1=O)NCCNC(=O)c1ccc(O)cc1 48265278 CYZXTTMNYZWOGV-UHFFFAOYSA-N 394.225 0.863 0 40 GCAB COCCNC(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O 57505741 NBXFIHVKBZTTCR-UHFFFAOYSA-N 396.451 0.525 0 40 GCAB CCNC(=O)NC(=O)Cn1nc2c(cc1=O)CN(C(=O)OC(C)(C)C)CC2 58201533 ZXUVLZXKDVUPTN-UHFFFAOYSA-N 379.417 0.382 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)/N=c2\[nH]c3cccc(C(=O)OC)c3[nH]2)cc1 89395811 PYNHZNZSPHAFOC-UHFFFAOYSA-N 388.405 0.932 0 40 GCAB CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)C4CC4)CC3)[C@@H]1CN(C(C)=O)C2 96143772 RRFBUWXVRODXAL-MAUKXSAKSA-N 383.514 0.565 0 40 GCAB O=C(C[C@H]1CCCO1)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108455669 CWMAYBXRZHWLNZ-YESZJQIVSA-N 393.509 0.819 0 40 GCAB CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OC[C@@H]1C(=O)N1CCCCO1 575403918 KUCRIDYTLTZMIV-MRXNPFEDSA-N 375.425 0.471 0 40 GCAB COC(=O)c1ccc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 575610721 OFXWMKGPTUKRDP-UHFFFAOYSA-N 393.407 0.806 0 40 GCAB NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2654247 PJMXFPDWASBJGO-UHFFFAOYSA-N 383.426 0.603 0 40 GCAB CCn1c(SCC(N)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 3348497 INNMTKLBZZMCMN-UHFFFAOYSA-N 384.483 0.655 0 40 GCAB CC[C@@H](CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO 3466558 UNJMRZHCCOQXJU-YUMQZZPRSA-N 382.301 0.667 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)cc1OC 5008498 YXSNNOTVZXYAAF-ZDUSSCGKSA-N 386.470 0.603 0 40 GCAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7655462 HZNZUDZIYCXJCG-NSHDSACASA-N 384.410 0.695 0 40 GCAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCO)cc1 8091298 FFVDLNAZBRPJMK-UHFFFAOYSA-N 378.450 0.995 0 40 GCAB COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 10387143 QPMFKVJJIJIXBE-UHFFFAOYSA-N 396.407 0.314 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1cccs1 11027487 ISKKTBSFKXRZET-UHFFFAOYSA-N 381.483 0.420 0 40 GCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(C(=O)c2ccco2)CC1 14202189 WISLJWNTMJTWLT-GJZGRUSLSA-N 385.420 0.905 0 40 GCAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22914612 SZCMBCLMBONNIW-DOTOQJQBSA-N 377.510 0.769 0 40 GCAB NC(=O)C1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 32105970 FZPXTKXQBHUUEE-OAHLLOKOSA-N 386.452 0.270 0 40 GCAB O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828183 UFRMJNZDTRBMMB-CQSZACIVSA-N 397.435 0.391 0 40 GCAB CS(=O)(=O)Nc1cccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)c1 70809078 KXPXIYQKLLJRKX-UHFFFAOYSA-N 375.410 0.559 0 40 GCAB O=C(Cn1c(=O)oc2ccccc21)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099640 BPYHOASGYRPXAE-UHFFFAOYSA-N 393.359 0.959 0 40 GCAB CCOCCS(=O)(=O)NCC(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 79097127 MFAAVGXLQBZRBM-UHFFFAOYSA-N 396.469 0.282 0 40 GCAB COCCn1ccc2c(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cccc21 79483723 ORMCPAJLIYPYJR-UHFFFAOYSA-N 394.497 0.852 0 40 GCAB Cc1nc(N2CCOCC2)ccc1NC(=O)Cn1nnc2ccccc2c1=O 89536947 SDRCCLRAZDHTJT-UHFFFAOYSA-N 380.408 0.970 0 40 GCAB CCN1C[C@@]23CN(C(=O)Cc4ccc(OC)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146042 ZNQFMYWVEOAXLT-RYRKJORJSA-N 380.466 0.642 0 40 GCAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNS(=O)(=O)c2cn(C)cn2)[C@@H]1O 257229670 FZBKUSKWEFTKGY-MDNXKNQGSA-N 399.444 0.480 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN1CCOCC1 408703922 VZZWXXHIHAERAS-UHFFFAOYSA-N 397.497 0.542 0 40 GCAB CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2nc(C(=O)O)co2)CC1 521446533 DXFSQMOXLMJHGM-UHFFFAOYSA-N 386.474 1.000 0 40 GCAB Cn1cc(-c2cncc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)c2)cn1 575414405 ISGXARXFRBMAEF-UHFFFAOYSA-N 377.470 0.770 0 40 GCAB O=S1(=O)CC[C@H](N2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)C1 575414783 SIDHYGADVASORC-ZDUSSCGKSA-N 394.465 0.895 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccn(C)n5)C[C@@H]4C3)ncnc21 1888913847 XASSCMIXJMNVIW-KBPBESRZSA-N 396.455 0.415 0 40 GCAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC[C@H]2CCCO2)n1 9038060 KISRERKKEQRWEW-CYBMUJFWSA-N 388.428 0.450 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 9576274 KPNLSKQXFGVTDD-CQSZACIVSA-N 375.454 0.657 0 40 GCAB COCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 17815037 BQJWNMOVVLNZEU-UHFFFAOYSA-N 395.437 0.251 0 40 GCAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)C1CCN(S(C)(=O)=O)CC1 19286304 VLZDJOLZTMSLHZ-UONOGXRCSA-N 394.497 0.208 0 40 GCAB COCCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19593478 BLWAMVIBHWUCEM-IBGZPJMESA-N 375.425 0.323 0 40 GCAB O=C([C@@H]1CCCO1)N1CCN(c2nc(N3CCCC3)nc(-n3ccnc3)n2)CC1 36705739 KOLZNIBMTJQQFB-HNNXBMFYSA-N 398.471 0.485 0 40 GCAB CCc1nsc(N2CCN(C(=O)c3coc(S(=O)(=O)N(C)C)c3)CC2)n1 89295598 AARMHCIJOZTKSI-UHFFFAOYSA-N 399.498 0.906 0 40 GCAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)no1 90558835 RSMKAHALVOMIPG-UHFFFAOYSA-N 381.396 0.496 0 40 GCAB Cc1cc(C(=O)N2CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C2)sc1C 262955638 PIEXKRNYBAYKRR-GFCCVEGCSA-N 390.483 0.552 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)O)C2)cc1Cl 572905687 MQAUDKPCMWOCTO-NOZJJQNGSA-N 391.829 0.973 0 40 GCAB Cc1c(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cnn1-c1ccccc1 626451072 ODZJCAJBPANPGI-HNNXBMFYSA-N 393.469 0.963 0 40 GCAB CC1(C)[C@@H](NC(=O)c2ccnc(N3CCOCC3)n2)C[C@@H]1N1CCOCC1 640510579 QCFBMWCVZNWIPA-HOTGVXAUSA-N 375.473 0.542 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888876285 INBHFABRXNZLSG-HOTGVXAUSA-N 394.479 0.734 0 40 GCAB COc1ccc(CNC(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1 1889214345 KRJFEWKMJYVEHB-UHFFFAOYSA-N 385.486 0.935 0 40 GCAB CCN1c2nc3c(C)cccn3c(=O)c2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]1C 2205020 WOHLPNVZOONGOO-GFCCVEGCSA-N 397.435 0.811 0 40 GCAB CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 4386213 HQCYQBUPIBXBDS-ZDUSSCGKSA-N 387.440 0.614 0 40 GCAB CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 4569407 XWQCYGVQSJXICZ-CQSZACIVSA-N 397.497 0.881 0 40 GCAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 6509257 KSDLNCXTCBCMLX-HNNXBMFYSA-N 385.461 0.067 0 40 GCAB CNC(=O)[C@@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 7504404 JBJFGJNWFVYFCA-LLVKDONJSA-N 379.438 0.525 0 40 GCAB C[C@]1(NC(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)CCS(=O)(=O)C1 7813981 IUBARIDXNSQCKZ-HNNXBMFYSA-N 389.813 0.919 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CC(=O)Nc3ccccc32)cc1 8024571 FHHIFNHGGDQHFV-UHFFFAOYSA-N 388.449 0.451 0 40 GCAB COC(=O)[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14674112 MHFPIYCDUOHOHB-SNVBAGLBSA-N 375.374 0.565 0 40 GCAB COc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 20567915 NDJDASBUTGKMAS-UHFFFAOYSA-N 385.486 0.300 0 40 GCAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 24956261 IFYDKZDDCBNKDN-UHFFFAOYSA-N 383.426 0.472 0 40 GCAB CN(C)CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30758335 MQAXCIDJRWRLSM-AWEZNQCLSA-N 375.878 0.935 0 40 GCAB COc1ccc(Cl)cc1NC(=O)CNC(=O)N[C@H]1CCS(=O)(=O)C1 36366261 ABVHMVJAIVOYMH-JTQLQIEISA-N 375.834 0.773 0 40 GCAB O=C(NCCc1cccc(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 48264049 LIEOSDRLGMIWRY-AWEZNQCLSA-N 381.429 0.650 0 40 GCAB CCc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nccn3c2=O)cc1 49399924 CDJYCBIMOAJEHD-UHFFFAOYSA-N 382.424 0.929 0 40 GCAB C[C@H]1Oc2ccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2NC1=O 58440855 RGJUIFYKMXCDCP-ZYHUDNBSSA-N 382.442 0.952 0 40 GCAB CNS(=O)(=O)c1cccc(NC(=O)NCc2ccc(-n3cncn3)nc2)c1 65547476 SCDBNDDVZCEBGU-UHFFFAOYSA-N 387.425 0.892 0 40 GCAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 218787670 YLBBBUXQYCFUCB-KRWDZBQOSA-N 397.497 0.442 0 40 GCAB Cc1nc(N)nc(C)c1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257243271 IGDQPKQSLNUCMO-SFHVURJKSA-N 396.495 0.807 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)c(Cl)c1 408635577 FFVQYSKANRWELW-LLVKDONJSA-N 394.877 0.795 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ccon2)CC1 585294135 QCSOFWVHBILEME-UHFFFAOYSA-N 379.413 0.709 0 40 GCAB CCn1c(=O)c2c(nc(SCC(=O)N3CCC[C@H](C)C3)n2C)n(C)c1=O 887154 KSJFWPOJUZTDJX-NSHDSACASA-N 379.486 0.804 0 40 GCAB CC1(C)[C@@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O 1323253 DZYBRGUNKNPEKM-AWFVSMACSA-N 391.037 0.301 0 40 GCAB biogenic COC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 4061375 BSKXOTPSOGBGFH-UHFFFAOYSA-N 387.421 0.808 0 40 GCAB Nc1ccc(CC(=O)c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 4235240 OWPAXPBQDWARQQ-UHFFFAOYSA-N 386.407 0.770 0 40 GCAB biogenic CC(C)[C@H](C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495230 JDSCDQIBGBTLGW-LBPRGKRZSA-N 381.454 0.819 0 40 GCAB CCOc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 4495873 XVFOZGKCVXXTBD-AWEZNQCLSA-N 399.403 0.860 0 40 GCAB Cc1ccc(SCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 5270396 VCNOTPBZBVCWSI-UHFFFAOYSA-N 387.465 0.651 0 40 GCAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 5321939 QEFZEHOTXKXFHS-ZBEGNZNMSA-N 379.388 0.520 0 40 GCAB Cn1c(N)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(=O)n(C)c1=O 8131253 BARRRJLZVXOTEG-UHFFFAOYSA-N 376.442 0.445 0 40 GCAB NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 8428680 AYLFUKNHAXUDKA-HNNXBMFYSA-N 395.481 0.481 0 40 GCAB CC(C)N1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O 8923795 MBNJFOJHMWEPTJ-UHFFFAOYSA-N 392.437 0.232 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)CCC(=O)Nc1ccc(Cn2cncn2)cc1 19460350 YKVSBWSYDUOFMA-UHFFFAOYSA-N 384.440 0.782 0 40 GCAB CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(N)=O 20416380 FMNLXHIYJSFUTR-UHFFFAOYSA-N 387.462 0.981 0 40 GCAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22914617 SZCMBCLMBONNIW-WBVHZDCISA-N 377.510 0.769 0 40 GCAB Cn1cc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c(=O)n(C)c1=O 30497837 XPKDSDWFZNSPGK-LBPRGKRZSA-N 399.494 0.515 0 40 GCAB Cn1ncc2c(=O)n(CCC(=O)NCCc3ccc4c(c3)OCCO4)cnc21 39538382 MNCRJBOMBBLVMU-UHFFFAOYSA-N 383.408 0.650 0 40 GCAB O=C(NCCn1nnn(-c2cccs2)c1=O)c1n[nH]c(=O)c2ccccc12 72341038 ZFFKITAWKAVRJY-UHFFFAOYSA-N 383.393 0.157 0 40 GCAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCC(OC)OC)[C@H]4C2=O)cc1 85419008 OFHUHVDPVRUHFV-FORWCCJISA-N 388.420 0.717 0 40 GCAB COC(=O)[C@@H](O)CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 95451057 BPEPYLCOEPLTTA-INIZCTEOSA-N 382.372 0.747 0 40 GCAB CN(C)CCn1cnc2nnc3ccc(C(=O)NCCN4CCOCC4)cc3c21 96146584 VIQLULIEICMWGK-UHFFFAOYSA-N 397.483 0.603 0 40 GCAB CC(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)C[C@H]1C(=O)N(C)C 257251088 JPIIVNQCYRVRHB-SFHVURJKSA-N 383.452 0.693 0 40 GCAB CN(C(=O)c1ccc(CN)cc1)[C@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257289303 PYANXSYTQDXQRY-DZKIICNBSA-N 381.440 0.704 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCCN1CCOCC1 408598082 ZMDDGZHTOGXIRC-OAHLLOKOSA-N 399.513 0.509 0 40 GCAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 408600404 ASPBVUKJBZZKPG-AWEZNQCLSA-N 385.486 0.201 0 40 GCAB NCCCC[C@H](N)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 585285782 RUYCPNUEVZOUEF-TWFHAPMSSA-N 388.512 0.674 0 40 GCAB O=S(=O)(N1CCOCC1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888903786 BCEXFGOEPMAUSF-CZUORRHYSA-N 386.449 0.674 0 40 GCAB CCN=c1cc(C)nc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)[nH]1 2086889231 UAPOGOFMACCXKD-HOTGVXAUSA-N 376.505 0.397 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O 2654775 BLUQBRKTENCXAT-UHFFFAOYSA-N 385.298 0.725 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 5345218 UFCUFNYWCRERRM-FIUHSTACSA-N 388.399 0.220 0 40 GCAB COc1ccccc1-n1cnnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 5895327 CHLTVXIBYDPOJL-NSHDSACASA-N 382.467 0.671 0 40 GCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@H](CN4CCCC4)C3)ccc2[nH]1 12362447 GOPTXXVLNDSBJV-CYBMUJFWSA-N 392.481 0.713 0 40 GCAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc3nnnn3n2)CC1 12976273 LLAKVCHIBMVRPW-UHFFFAOYSA-N 379.833 0.684 0 40 GCAB CCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)C(=O)N(CC)C1=O 14165382 VFSFYOCSOKBHBO-UHFFFAOYSA-N 380.426 0.024 0 40 GCAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 29883603 PGTMONHGFXJNFO-CXAGYDPISA-N 391.472 0.979 0 40 GCAB COc1ccc(C2=NN[C@]3(C2)NN=C(c2ccccc2N)NC3=O)cc1OC 40158687 QOKPDIYUFUZHGX-LJQANCHMSA-N 380.408 0.761 0 40 GCAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 44880779 SSUNZIMNJBWDOO-HNNXBMFYSA-N 399.513 0.881 0 40 GCAB COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C[C@H]1[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12 104194526 DFPQFFFHZUYNTL-MWJDEESVSA-N 378.377 0.944 0 40 GCAB C[C@@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@@H](c3ccccc3O1)[C@@H]2C(N)=O 107049354 BWUUVSVHEFXEOT-UFEANIFOSA-N 381.413 0.764 0 40 GCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(c3)COC4)C2)CN1CC1CC1 575406955 ZARQMMSKUNCIRK-SFHVURJKSA-N 385.464 0.768 0 40 GCAB C[C@H]1COCCCN1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 676500851 MYBDUOFIABZPNH-ZDUSSCGKSA-N 385.490 0.394 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CC[C@H](Oc2ccncc2Br)C1 1775972155 JNUNWHVMTSIJHT-JTQLQIEISA-N 382.214 0.973 0 40 GCAB CN(C)C(=S)S[C@@H]1O[C@@H](CO)[C@@H](SC(=S)N(C)C)O[C@H]1CO 5339683 NSWFKRMBCOWTSI-AATLWQCWSA-N 386.586 0.567 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 8265353 QRPKVOPQPBQSNN-CQSZACIVSA-N 386.408 0.391 0 40 GCAB CC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(OC)cc1 8424675 XUZPVDAZJFMSEZ-AWEZNQCLSA-N 385.424 0.710 0 40 GCAB COc1ccc(CCNC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)cc1 8986643 MRSRAZDFANTZBF-UHFFFAOYSA-N 389.433 0.703 0 40 GCAB CCN1CCN(C(=O)[C@H]2C[C@@H](c3ccc(F)cc3)NS(=O)(=O)N2C)CC1 12129802 WEBWEQBFEQZSKE-JKSUJKDBSA-N 384.477 0.569 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)c2cncnc2)C[C@@]12COc1ccccc1C2=O 19581368 RFLAXENEFCQEST-FOIQADDNSA-N 380.404 0.899 0 40 GCAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCC(=O)O)cc1O2 36369830 FZTOMIMDAFRVTJ-UHFFFAOYSA-N 390.392 0.613 0 40 GCAB biogenic C[C@H]1CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 36386392 ASVVZUGOWXHGFK-LSDHHAIUSA-N 397.497 0.755 0 40 GCAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 58141048 PUTUBLGXWPTILY-QGZVFWFLSA-N 395.525 0.926 0 40 GCAB CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC)c1 95454360 GDJVYOHYKKYMHC-AWEZNQCLSA-N 392.547 0.423 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473918 SJKPREHZRXHEIV-NXEZZACHSA-N 380.401 0.358 0 40 GCAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1=CN2CCS(=O)(=O)N=C2C=C1 95947181 UYSKPAPQCHXYKY-AWEZNQCLSA-N 375.406 0.296 0 40 GCAB O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 101202793 PGYHHLNKTGLNSE-LMSBXDPUSA-N 380.448 0.647 0 40 GCAB Cn1cnc2cc(C(=O)N3CC[C@@](C)(O)[C@H](n4ccc(O)nc4=O)C3)ccc21 257205212 AYCCNUUYIHVVMN-DNVCBOLYSA-N 383.408 0.674 0 40 GCAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCCCO)c3ccccn23)C1 306126564 DYZCNQYAHFHBDU-AWEZNQCLSA-N 394.497 0.976 0 40 GCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2CCOC2)C3)n1 306144686 ZMCGTTLAIMYCHR-KGLIPLIRSA-N 381.454 0.216 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)cc1 514288926 KDKLHESDIJPTOL-SOUVJXGZSA-N 392.424 0.443 0 40 GCAB biogenic,in-vitro CN(C)C(=O)[C@H]1COC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)CN1C 575406347 WYRSYJPBQDFDJN-QGZVFWFLSA-N 387.480 0.554 0 40 GCAB CC(=O)c1cc(C(=O)N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n[nH]1 585110521 ZJKSGDAYHFAQCQ-UHFFFAOYSA-N 383.456 0.395 0 40 GCAB COCCN1C[C@]2(COCC1=O)CN(C(=O)C1CC(F)(F)C1)C[C@H]2N(C)C 1565545519 HYYZGAJCIZGRMR-RHSMWYFYSA-N 389.443 0.296 0 40 GCAB COC1(CC(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)CCC1 1565555733 GJDGPQSUZJNTTD-LJQANCHMSA-N 376.457 0.870 0 40 GCAB Cc1ccc(C)c(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 2635204 QGPBHESFLFJKBC-UHFFFAOYSA-N 399.407 0.232 0 40 GCAB CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)O 4899823 CBLYMECSQPXYHQ-AWEZNQCLSA-N 379.413 0.645 0 40 GCAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)cc1 4940510 ILJBJGLCFJOJNO-UHFFFAOYSA-N 385.380 0.401 0 40 GCAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1OC 10433961 NTALKZMCZNWKOM-UHFFFAOYSA-N 399.513 0.881 0 40 GCAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 16245620 XUFNZMXGMFEVBX-SNVBAGLBSA-N 396.498 0.495 0 40 GCAB Cc1cc(C)n(C(=O)CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 22000909 SJJRSYPVGRBXHQ-UHFFFAOYSA-N 395.397 0.143 0 40 GCAB CC(C)(C)OC[C@@H](O)CN1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 22916009 ZISWMXHNGRUSBR-SFHVURJKSA-N 393.532 0.607 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 24806437 BRDTVUGTCYBFNN-WFASDCNBSA-N 388.424 0.114 0 40 GCAB COc1cc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc(OC)c1 26533547 OLZRUWHRXLPDJK-UHFFFAOYSA-N 384.186 0.955 0 40 GCAB COc1ccc(-c2c3c(=O)n(C(CO)CO)ccc3nc3nc(C)nn23)cc1 38828768 PMMAAGRPEVCSFS-UHFFFAOYSA-N 381.392 0.949 0 40 GCAB CCS[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 44168474 YPNFVZQPWZMHIF-YXMSTPNBSA-N 392.426 0.823 0 40 GCAB biogenic COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 408604271 LQNNTWQBKFZJTE-UHFFFAOYSA-N 396.469 0.393 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1 575421055 MRFUOPRJMJBGQR-GJZGRUSLSA-N 376.500 0.435 0 40 GCAB C[C@@H](C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1)n1cnc2c(N)ncnc21 614464248 WOHKROKGFQJHRH-JTQLQIEISA-N 384.448 0.560 0 40 GCAB O=C(O)Cn1cnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 647782308 FYDXUDLPHPBYSP-LBPRGKRZSA-N 375.360 0.993 0 40 GCAB C[C@@H]1CN(C(=O)CN2CCN(c3ccc(-n4cccn4)nn3)CC2)C[C@@H](C)O1 2086886921 DJZYNTUFYUWPIA-HZPDHXFCSA-N 385.472 0.420 0 40 GCAB Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O 842264 CHJOXZNDECLJAV-UHFFFAOYSA-N 389.843 0.972 0 40 GCAB biogenic CCN(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 3412064 YJOAFGCEXZZYLA-DOMZBBRYSA-N 383.422 0.405 0 40 GCAB CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1OC(C)=O 4974689 UNTYIYCXVYMWKI-GMTAPVOTSA-N 380.275 0.338 0 40 GCAB COc1ccc(C2=NO[C@@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)c(OC)c1 5207623 MMIUEZZKGYPKGN-GFCCVEGCSA-N 399.407 0.644 0 40 GCAB CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O 5230806 IBDBVKZDKKKSET-UHFFFAOYSA-N 380.788 0.548 0 40 GCAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 9051509 NAHCIVJXWUXBJL-ZCFIWIBFSA-N 382.471 0.456 0 40 GCAB Cn1c(SCCn2cnc3c2c(=O)n(C)c(=O)n3C)nnc1-c1ccco1 9222765 WAYLDVZXIXWDNC-UHFFFAOYSA-N 387.425 0.615 0 40 GCAB CCCCN1C(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2C1=O 10621349 TZRVBZNBLGZKNW-UHFFFAOYSA-N 399.403 0.837 0 40 GCAB Nc1c(C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c(=O)n1C1CC1 12567639 MTVOUAVPESAPDB-UHFFFAOYSA-N 376.442 0.747 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3NC(=O)C[C@H]3C)CC2)cc1C 12814183 FFGASQYYZRORIH-OAHLLOKOSA-N 394.497 0.262 0 40 GCAB COCCNC(=O)CSc1nc(N)c(NC(=O)c2ccccc2F)c(=O)[nH]1 13116807 ZABDDRPFZOMVHC-UHFFFAOYSA-N 395.416 0.598 0 40 GCAB CN(C)C(=O)c1cn(C)nc1CC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 19756310 HBMCEUGZPXAPST-UHFFFAOYSA-N 394.501 0.499 0 40 GCAB CCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(C(=O)NC)cc2)CC1 21583301 NEGVTWAMFLBBNQ-UHFFFAOYSA-N 389.500 0.519 0 40 GCAB NC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 26746903 WYQDXPAHXITTQU-UHFFFAOYSA-N 382.410 0.569 0 40 GCAB CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914430 GDHTXFCPNVSEJO-UHFFFAOYSA-N 380.470 0.510 0 40 GCAB Cc1cc(C)n(C(=O)c2ccc3c(c2)N(CC(=O)N2CCOCC2)C(=O)CO3)n1 35312315 QQZWPTMDDYYJKS-UHFFFAOYSA-N 398.419 0.773 0 40 GCAB COc1ccccc1COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 36488192 FXCCKHKRUIEXPN-CYBMUJFWSA-N 380.422 0.904 0 40 GCAB CNCCCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 40267967 DRMDTKCEHWEYQS-UHFFFAOYSA-N 398.485 0.289 0 40 GCAB CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 49549362 ODVHJLYRQUKMIC-CYBMUJFWSA-N 393.490 0.936 0 40 GCAB CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 95948773 WLQAHXKOMVQRDM-ZDUSSCGKSA-N 387.483 0.253 0 40 GCAB CC(C)CCCCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2OC[C@H](C(=O)O)CO[C@@H]12 253388180 RQVIOHJGPCAFPM-CPFWCUNTSA-N 390.429 0.309 0 40 GCAB biogenic,in-vitro Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C)n3n2)C1 585606642 CGFDQFAPJIMTBZ-UHFFFAOYSA-N 376.446 0.282 0 40 GCAB COCCN1C(=O)C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@H]1c1cnn(C)c1 616777401 BKFKMMKQZZVGJR-BZNIZROVSA-N 398.427 0.052 0 40 GCAB O=C(N[C@@H]1CCCN(C(=O)c2ccnc3ccnn23)C1)c1ccnc2ccnn12 628217480 YRDRDROENPHIIW-CYBMUJFWSA-N 390.407 0.807 0 40 GCAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1 1565544756 QFTWNXVHEQABFU-CYBMUJFWSA-N 389.481 0.920 0 40 GCAB Cc1nc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)cs1 1565553633 AMZMLBTZRUBMLQ-KRWDZBQOSA-N 390.469 0.996 0 40 GCAB COC(=O)c1ccnc(NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)n1 1650937363 PCYLQOQJPLJWFR-UHFFFAOYSA-N 378.410 0.757 0 40 GCAB C[C@@H]1O[C@H](OC(=O)C2=C[C@]3(O)CC(C)(C)C[C@@]34[C@@H]2CC[C@H]4C)[C@H](O)[C@H](O)[C@@H]1O 1772591805 QEZOAVXNNSLPOZ-TWYYYANOSA-N 396.480 0.881 0 40 GCAB CCOC(=O)[C@@H](C)OC(=O)[C@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O 4428337 YDQFEYZKJCQJIE-CHWFTXMASA-N 376.358 0.296 0 40 GCAB CCOC(=O)C1=C(COC(=O)COc2ccccc2C=O)NC(=O)N[C@H]1C 6497393 KJMSPHCADOHQCY-NSHDSACASA-N 376.365 0.940 0 40 GCAB O=C1CN(C(=O)COC(=O)Cn2cnc3sccc3c2=O)c2ccccc2N1 7814656 APHMVXBICYZQJM-UHFFFAOYSA-N 398.400 0.987 0 40 GCAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 12516126 DVYUBSUEQUQXEW-RKDXNWHRSA-N 387.396 0.069 0 40 GCAB Cc1nc(C)n(CCC(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)n1 19285991 RJMBOEXHTHQDSU-UHFFFAOYSA-N 383.456 0.879 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(Cl)cc1 20637059 NYJINFLWUYXNNF-CABCVRRESA-N 392.843 0.820 0 40 GCAB CCOC(=O)NCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58277532 PIOWGUPOICEWCC-UHFFFAOYSA-N 376.457 0.978 0 40 GCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1cccc(Cl)c1)C2)N1CCOCC1 71283814 WZZSBPXMZZXOAW-UHFFFAOYSA-N 377.788 0.545 0 40 GCAB O=C(CCCNC(=O)c1ccc(F)cc1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 95405234 NPJLUIJBVACWMW-ORAYPTAESA-N 390.415 0.830 0 40 GCAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 96243652 BLGQHAUEIRSGCF-OAHLLOKOSA-N 384.440 0.728 0 40 GCAB C[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccccc1F)S(C)(=O)=O 220311482 NZHSVLQIEHYEFK-AWEZNQCLSA-N 387.477 0.819 0 40 GCAB Cc1nc(S(=O)(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cn1C 390829376 DXCUZJBSOQQOHZ-UHFFFAOYSA-N 394.482 0.921 0 40 GCAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)[C@@H]1CCS(=O)(=O)C1 575615016 BGWODCFDIMPYKJ-CYBMUJFWSA-N 378.498 0.875 0 40 GCAB CNC(=O)c1cccc(CCNC(=O)N2C[C@@H]3[C@H](C2)[C@H](OC)CS3(=O)=O)c1 685938967 CBIXMADORIKTOD-BZUAXINKSA-N 395.481 0.042 0 40 GCAB O=C(Cc1ccccc1)Nc1nc(O)c2ncn(C3=C(O)[C@H](O)[C@@H](CO)O3)c2n1 1560408769 QFUHRUDERQZBPU-ZWNOBZJWSA-N 399.363 0.149 0 40 GCAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1ccco1)OC[C@H]2n1ccc(O)nc1=O 2037977909 WZGIQWGZCXMTAL-WAZAZEMKSA-N 391.380 0.432 0 40 GCAB CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6539150 XGKQDBHPXHOTGU-AWEZNQCLSA-N 384.458 0.339 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCN(CN3C(=O)CN(C)C3=O)CC2)cc1 23508530 AYFDPXWZSNVTFT-UHFFFAOYSA-N 396.469 0.243 0 40 GCAB Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 32894917 QCUZMYSKVWFKKJ-JKSUJKDBSA-N 396.465 0.742 0 40 GCAB CC(C)(CNC(=O)CN1C=Nc2ccccc2S1(=O)=O)N1CCOCC1 72280603 HVDOPKRZXRUQHY-UHFFFAOYSA-N 380.470 0.578 0 40 GCAB CCN(C(=O)COC(=O)C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 89960937 DMAOSMASOVIQRF-NEPJUHHUSA-N 381.541 0.804 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 96224201 SKDRSBMQMRHXPP-KBPBESRZSA-N 397.428 0.330 0 40 GCAB CCN1Cc2c(C(=O)N[C@@H]3CCN(C)C3)ncn2-c2ccccc2S1(=O)=O 96266130 VKFZJPBYDYYONB-CYBMUJFWSA-N 389.481 0.830 0 40 GCAB COC(=O)CSc1nnc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 223036143 HSWNYPATVUEFHX-QMMMGPOBSA-N 394.500 0.413 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238838401 HGRDXAKBSLOTFS-ZIAGYGMSSA-N 378.454 0.361 0 40 GCAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)CN3CCOCC3)[C@H](O)[C@@H](C)O2)c1 257264937 LWPPGTQOHVPEJL-SJFSSXKUSA-N 394.468 0.086 0 40 GCAB CC(=O)N1CCN([C@H]2CCN(C(=O)Cn3cnc4ccccc43)CC[C@@H]2O)CC1 257310674 UGBUDILHXBZLGR-PMACEKPBSA-N 399.495 0.552 0 40 GCAB Cn1nccc1C(=O)N1CCC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 585101344 ZOABVLRPZVMDSP-IBGZPJMESA-N 382.424 0.883 0 40 GCAB C[C@@H]1CN(CCN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 660228949 SJKPPCBVLWCPOL-ZACQAIPSSA-N 375.535 0.222 0 40 GCAB Cc1ccc(N2C(=O)[C@H]3Nc4nc(N5CCOCC5)nc(O)c4[C@H]3C2=O)cc1 675020653 ZZPCNPCHAHYRQV-OCCSQVGLSA-N 381.392 0.778 0 40 GCAB O=C(Cn1ccnn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773005 IWMOJONVGTWOOE-UHFFFAOYSA-N 385.350 0.171 0 40 GCAB CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(CC(=O)N2CCOCC2)C1=O 4354902 JAPBCLZIXMPJJQ-UHFFFAOYSA-N 387.436 0.942 0 40 GCAB Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1 7777255 PHJMQHCKKMSIOT-UHFFFAOYSA-N 384.502 0.779 0 40 GCAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1=O 8207210 OWRZOBZBXKLBBF-UHFFFAOYSA-N 398.375 0.959 0 40 GCAB Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(N(C)C)cc1 9421150 MOXGLYBCFNKIST-UHFFFAOYSA-N 396.451 0.895 0 40 GCAB COc1ccc(CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)cc1 9549287 WQVRGSDTHHFIAY-UHFFFAOYSA-N 397.435 0.634 0 40 GCAB COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12874567 QEOXJWICAZSPAG-XQQFMLRXSA-N 384.454 0.776 0 40 GCAB COc1ccc(CC(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 12931135 BBFDXECQYARAJS-JSGCOSHPSA-N 399.465 0.824 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4C)CC2)c(C)c1 13534476 AHFKJCXVQOCLBK-UHFFFAOYSA-N 387.469 0.886 0 40 GCAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(C(=O)C2CC2)CC1 14092806 AEGQOMHWZPWYOV-UHFFFAOYSA-N 396.447 0.139 0 40 GCAB O=C(c1cscn1)N1CCC[C@@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 19292159 GDTBZSOKZABWPB-CYBMUJFWSA-N 390.469 0.759 0 40 GCAB CCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)C1 19498761 GFMDEDHFAWHYQU-GFCCVEGCSA-N 397.501 0.050 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 22933627 DANYWYYJCIRAPX-CQSZACIVSA-N 376.457 0.886 0 40 GCAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23289898 QKJUABACZRTGHR-YJBOKZPZSA-N 397.516 0.678 0 40 GCAB CN1N=C(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCC1=O 25106866 RFFHISLQFXEINO-UHFFFAOYSA-N 381.440 0.464 0 40 GCAB COc1ccc(C(=O)N2CCC[C@@H]2C(N)=O)cc1S(=O)(=O)N1CCCC1 32736019 MGUDBBRVPQKHEX-CYBMUJFWSA-N 381.454 0.570 0 40 GCAB O=C1C[C@@H](C(=O)Nc2cccc(F)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828115 QYXINWHLZREKIH-GFCCVEGCSA-N 387.371 0.810 0 40 GCAB O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 40115547 RWOHVCARDJQLHH-INIZCTEOSA-N 397.497 0.887 0 40 GCAB NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399431 SRAYSCLICADVCW-QMMMGPOBSA-N 376.760 0.788 0 40 GCAB Cn1c(NCc2ccc(Cn3ccccc3=O)cc2)nc2c1c(=O)[nH]c(=O)n2C 57141063 PZYVRUFFQNWDLO-UHFFFAOYSA-N 392.419 0.782 0 40 GCAB C[C@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@H](c3ccccc3O1)[C@H]2C(N)=O 71785115 BWUUVSVHEFXEOT-BEJHVWDPSA-N 381.413 0.764 0 40 GCAB Cc1c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nnn1-c1ccccc1 257226918 FMSWWPDKOBVVQB-ZHALLVOQSA-N 385.468 0.872 0 40 GCAB CC(C)(C)n1cc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cn1 539822169 JEMDWOOZMKRXSA-INIZCTEOSA-N 397.545 0.059 0 40 GCAB Cc1ncnc(C(=O)N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c1C 1565542808 UTSCMQXJSIZLMI-UHFFFAOYSA-N 381.484 0.876 0 40 GCAB O=C1CC2(CCN(C(=O)CN3CCOCC3)CC2)Nc2ccccc2CCN1 2037989159 XZFQIUZCAUVTCJ-UHFFFAOYSA-N 386.496 0.854 0 40 GCAB CN(C)S(=O)(=O)N1CC[C@H]2C[C@@H](C(=O)NCCc3ccncc3)O[C@@H]2C1 2055725653 YMZFXLZGBKMWRG-HRCADAONSA-N 382.486 0.026 0 40 GCAB CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 4386237 OHQUQFHDKPJCOF-CYBMUJFWSA-N 387.440 0.614 0 40 GCAB CC(C)CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 5228754 UCLSAUHLJHGIFK-ZDUSSCGKSA-N 385.486 0.523 0 40 GCAB CCN(CC)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11906147 RYSXRZUPJJZNIG-UHFFFAOYSA-N 376.456 0.792 0 40 GCAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)NCc1ccc2c(c1)OCO2 12389073 ABSJQECMBUEPHE-AWEZNQCLSA-N 377.422 0.752 0 40 GCAB COc1cn(CC(=O)NCc2ccco2)c(CSc2nnnn2C)cc1=O 15883868 AQLBVSIWYYTYBW-UHFFFAOYSA-N 390.425 0.582 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 19709376 TYRYHRWYSHWYFD-AWEZNQCLSA-N 382.486 0.540 0 40 GCAB Cn1cc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)cn1 19754368 ZKBWJYFMWOFDNH-UHFFFAOYSA-N 398.467 0.890 0 40 GCAB COc1ccc(CCNC(=O)C(=O)NCCCN2CCOCC2)cc1OC 19831575 LOCGJGZRQWDEJH-UHFFFAOYSA-N 379.457 0.201 0 40 GCAB CC(=O)Nc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 30530223 VQHIKQUQPNYRLM-CXAGYDPISA-N 379.438 0.812 0 40 GCAB CN1CCN(Cc2c(C(=O)c3ccccc3Cl)c(=O)n(C)c(=O)n2C)CC1 31808170 QFUDXQFQDUBRCF-UHFFFAOYSA-N 390.871 0.716 0 40 GCAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCCC2)cc1 40266156 YODYGBCMRDDAMZ-UHFFFAOYSA-N 383.408 0.328 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2cnn(-c3ccccc3)n2)c1=O 90590775 ABHQIVNEBPPQRG-UHFFFAOYSA-N 381.318 0.611 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1 95457650 RHQZFTSBJWLCRD-RYUDHWBXSA-N 384.454 0.973 0 40 GCAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H](O)c1ccc(F)c(F)c1 103154435 SWZAAWVYEJWXBG-BNHUKEAWSA-N 376.359 0.922 0 40 GCAB COCC(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3ccc(OC)cc3)C[C@H]2C1 306128022 GNWZFNFHXDPKEY-STQMWFEESA-N 385.424 0.816 0 40 GCAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCCO 408589154 DSBCGDPTALDZJM-UHFFFAOYSA-N 392.861 0.238 0 40 GCAB O=C(Cc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 529004679 QXYDEWIPFXKSPO-UHFFFAOYSA-N 387.824 0.673 0 40 GCAB Cc1nc(N2CCO[C@@H](CN(C)C)C2)cc(N2CCO[C@@H](CN(C)C)C2)n1 532780824 OMHOYYAEVBDJPU-IRXDYDNUSA-N 378.521 0.319 0 40 GCAB CN1CCC[C@@H](N2CCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)CC2)C1 680636342 PUEVPPYTLGMKAH-QGZVFWFLSA-N 384.484 0.423 0 40 GCAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CC(N4CCNC(=O)C4)C3)ncc12 1149479859 ZBBJWYLNMMELGI-UHFFFAOYSA-N 382.468 0.835 0 40 GCAB COCCOCCC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)OC)C1 1615058749 WALCNKSYAHFONH-GJZGRUSLSA-N 385.461 0.235 0 40 GCAB CCS(=O)(=O)Nc1cccc(C(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)c1 1615588591 DFBUXYTTYSABLJ-JYJNAYRXSA-N 395.481 0.908 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@@H]4C3)ncnc21 1888913835 QKOSRZCHDKCRDF-GJZGRUSLSA-N 396.455 0.415 0 40 GCAB CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@]4(C)CC=CCC4)C[C@@H](O3)[C@@H]2S1(=O)=O 2055745743 XNXXGTUFXQUHAB-VYIWNADRSA-N 397.541 0.534 0 40 GCAB O=C([C@@H]1CCOC1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 2055785664 XSAQEPCOWKIRLS-VXNCWWDNSA-N 392.477 0.607 0 40 GCAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)NCC(=O)O)CC1 4064751 HEZAAVUFAKPLEV-ZDUSSCGKSA-N 383.445 0.825 0 40 GCAB biogenic CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)[C@H]1CCS(=O)(=O)C1 5976258 MVLDTEVVLRFHMU-NSHDSACASA-N 398.462 0.533 0 40 GCAB COc1ccc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)[nH]c2c1 6547699 XPQGGKAMVDWOGQ-UHFFFAOYSA-N 375.410 0.526 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 8265343 QRPKVOPQPBQSNN-AWEZNQCLSA-N 386.408 0.391 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)CC1 9060279 VRNXOAAXFJQMSP-CYBMUJFWSA-N 387.444 0.870 0 40 GCAB Cc1c(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(=O)oc2cc(O)cc(O)c12 9486555 FFSQNCNKZHDWPF-KRWDZBQOSA-N 381.406 0.749 0 40 GCAB C[C@@]1(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCS(=O)(=O)C1 9548985 LKFOEFYYJPCKBY-MSOLQXFVSA-N 391.449 0.073 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN(C)C 10111482 YROQPOFYHMQFEF-UHFFFAOYSA-N 385.486 0.398 0 40 GCAB COC(=O)C1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 12517468 LBJBJAAMHKHBNJ-UHFFFAOYSA-N 375.468 0.883 0 40 GCAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCNC(=O)C3(C)C)n2)s1 19217489 PKPXLURJTFOGAU-UHFFFAOYSA-N 375.454 0.599 0 40 GCAB Cc1cccc2c3c([nH]c12)CCN(C(=O)CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)C3 19236559 FHEDBOLXJUSYKU-IRXDYDNUSA-N 382.424 0.741 0 40 GCAB COc1nn(CC(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)c(=O)c2ccccc12 19286405 RGXSCLHETXXLIT-UHFFFAOYSA-N 395.419 0.424 0 40 GCAB COCCN1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 23127345 ZOTXTYRUFSEVDF-UHFFFAOYSA-N 377.441 0.506 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(CCO)CC1 25330333 QRJDEHSHLMKBBI-UHFFFAOYSA-N 395.525 0.920 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)N1CCCC1 33330768 RXCRRLUKJOMHOJ-UHFFFAOYSA-N 378.410 0.408 0 40 GCAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 40086598 MOFLENDXMNPXCD-GHMZBOCLSA-N 383.495 0.996 0 40 GCAB O=C(NCCNC(=O)c1ccncc1)C(=O)Nc1ccc(C(F)(F)F)nc1 40287658 NZAMLMZEVAYWPU-UHFFFAOYSA-N 381.314 0.980 0 40 GCAB O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(-n2cncn2)nc1 46714218 YTZNIVMGCMNFRI-UHFFFAOYSA-N 376.380 0.474 0 40 GCAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 48331429 HWRIQOWJIAKVEK-LLVKDONJSA-N 395.437 0.035 0 40 GCAB O=S(=O)(c1ccccc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 96098697 KQEBDYARQSDMCU-UHFFFAOYSA-N 389.481 0.824 0 40 GCAB COC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(OC)cc2OC)CC1 97117813 BGESFZRGNJDTPM-UHFFFAOYSA-N 376.406 0.322 0 40 GCAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222815249 ITPICNXQGQEFLU-LLVKDONJSA-N 375.878 0.695 0 40 GCAB O=C(CCS(=O)(=O)c1ccccc1)NCCn1nnc2ccccc2c1=O 225797325 VKOHRJRBYRIDOA-UHFFFAOYSA-N 386.433 0.772 0 40 GCAB CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3cccnc3O)CC2)CC1 257217660 CZZFQLRXJOUZBI-LJQANCHMSA-N 376.457 0.309 0 40 GCAB O=S1(=O)CC[C@H](NCCNS(=O)(=O)c2ccc(Br)cc2)C1 575420503 CIVWJCZMEAMAPQ-NSHDSACASA-N 397.316 0.504 0 40 GCAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCn1nc(C2CC2)ccc1=O 585149938 FOFGTIPRUNLCKK-UHFFFAOYSA-N 381.392 0.754 0 40 GCAB Cc1cn2ccc(NC(=O)C(=O)N3CCN(Cc4nccn4C)CC3)cc2n1 657627863 VHBGCPCPZALKSV-UHFFFAOYSA-N 381.440 0.659 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c(=O)n(C)c1=O 3245390 OSZGOFKPWUYPSK-UHFFFAOYSA-N 383.360 0.565 0 40 GCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCn1nnc2ccccc2c1=O 7170982 ZIRQSOGCNBRNHB-UHFFFAOYSA-N 385.380 0.547 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C)CC2)cc1 12804433 OPOJMMDTKWDTSK-UHFFFAOYSA-N 378.454 0.884 0 40 GCAB CN(Cc1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O 14400037 AKBVKEKZSCQXIW-UHFFFAOYSA-N 383.470 0.181 0 40 GCAB COc1ccc(NC(=O)CSc2nnnn2C)cc1S(=O)(=O)N(C)C 18222638 JVUGWFULXIOBAP-UHFFFAOYSA-N 386.459 0.200 0 40 GCAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 23371632 VLUGNOZUPXSLKF-UHFFFAOYSA-N 375.362 0.804 0 40 GCAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1)C1CC1 25594606 VWEFUIQVSXGYSZ-SMDDNHRTSA-N 386.495 0.680 0 40 GCAB COCC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251383 UQGLGEQMIMPFIU-JXFKEZNVSA-N 387.484 0.694 0 40 GCAB CC(C)[C@H](C)NC(=O)c1cn2c(nc1=O)[C@]1(CCN(S(C)(=O)=O)C1)CC2 306131862 KRMSHDYSHZAXOK-SJCJKPOMSA-N 382.486 0.324 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)O)C2)cc1Cl 572905690 MQAUDKPCMWOCTO-ZANVPECISA-N 391.829 0.973 0 40 GCAB CCS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc2c(c1)OCO2 8025011 ARUBRWOXVYMUCG-UHFFFAOYSA-N 394.453 0.974 0 40 GCAB Nc1c(C(=O)CSc2nnnn2C2CCCCC2)c(=O)[nH]c(=O)n1C1CC1 8901040 CZQZTDZPVCQHMA-UHFFFAOYSA-N 391.457 0.920 0 40 GCAB CNC(=O)NC(=O)CN1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 26628426 DGOQAANRHJDOKW-AWEZNQCLSA-N 386.456 0.795 0 40 GCAB COC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 40161094 BOJPAIPAVWDWBV-NSHDSACASA-N 386.426 0.007 0 40 GCAB OCCN1CCN(C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 41689882 BBJNQLDCWJYPDQ-DIGXMAGLSA-N 382.545 0.959 0 40 GCAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 54359490 GQDXMMOQGHEPTL-YJBOKZPZSA-N 386.496 0.911 0 40 GCAB CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 60160773 LVYQIEJZCMQAIU-UHFFFAOYSA-N 386.437 0.891 0 40 GCAB O=C(NCCc1nnc2n1CCC2)c1ccc(S(=O)(=O)N2CCCC2)o1 65541001 DZQXFYWMVZYUGA-UHFFFAOYSA-N 379.442 0.574 0 40 GCAB O=C1COc2ccc(S(=O)(=O)N3CSC[C@H]3C(=O)N3CCCC3)cc2N1 65562663 NOACPPLDXYDWRL-ZDUSSCGKSA-N 397.478 0.704 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)C[C@]2(CNC(=O)C2)C1 96143306 RSMAPOZIKCZXDV-INIZCTEOSA-N 385.873 0.564 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)C1=O 225588692 IPBQJUDXIAXOAX-OAHLLOKOSA-N 399.450 0.984 0 40 GCAB CS(=O)(=O)CCC(=O)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565546391 ZZSQHUQWPREBOZ-UHFFFAOYSA-N 390.469 0.539 0 40 GCAB C[C@@H](OC(=O)C1=COCCO1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3554973 UNJNGIZPNPYWBV-MRVPVSSYSA-N 388.298 0.979 0 40 GCAB COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 4213719 WNDQATSYSXSFBV-UHFFFAOYSA-N 395.416 0.373 0 40 GCAB COc1ccc(N2CCn3c2nn(CC(=O)N2CCCCC2)c(=O)c3=O)cc1 8849095 YDXLJCVMZTYNKK-UHFFFAOYSA-N 385.424 0.578 0 40 GCAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O 12185369 UGEIRJRXKBCALD-ZCGOYUJASA-N 399.447 0.908 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1c1ccnc(N2CCCC2)n1 19559602 MTYBNSBPEPZPBU-ZIAGYGMSSA-N 384.440 0.975 0 40 GCAB COc1ccc(NC(=O)CN2C[C@H]3CN(C(C)=O)CC[C@@]3(NC(C)=O)C2)cc1 19713027 TUTLFTIDJLRBPL-OXJNMPFZSA-N 388.468 0.693 0 40 GCAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(C)CC1 22252895 IKGCUUXTNMXVNO-UHFFFAOYSA-N 385.486 0.877 0 40 GCAB COc1cccc(CN(C)C(=O)CN2CCN(CC(=O)N(C)C)CC2)c1OC 23251150 ZQVNMGTYUZYZMD-UHFFFAOYSA-N 392.500 0.368 0 40 GCAB CN(C)c1nc(N)nc(COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 32850442 XQVXLXYDSUXEPH-UHFFFAOYSA-N 392.441 0.199 0 40 GCAB Cn1c(=O)c2ccc(C(=O)NCc3ccc(-n4ccnc4)nc3)nc2n(C)c1=O 33044480 JYJGFDJAMLILPR-UHFFFAOYSA-N 391.391 0.143 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 40086469 LTGVBVWUVNFBMP-OLZOCXBDSA-N 380.422 0.067 0 40 GCAB O=C(CCn1nnc2ccccc2c1=O)NCc1cccnc1-n1cncn1 40108978 OMRFBUQLPRGTHW-UHFFFAOYSA-N 376.380 0.474 0 40 GCAB Cc1csc([C@@](O)(CC(=O)NC[C@@H](O)CN2CCCC2=O)C(F)(F)F)n1 72311674 WQRPEWOSEURZIA-YGRLFVJLSA-N 395.403 0.691 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@H](O)COc3ccc(Cl)cc3)C(=O)[C@H]2C1 78752338 TZMWHBIWXHIJOC-WCQYABFASA-N 382.804 0.107 0 40 GCAB COc1ccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)cc1 96143341 VHYWBRSIVTXUCU-FQEVSTJZSA-N 388.468 0.570 0 40 GCAB CC(C)N1CCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 585283861 IIVLXPVUNMROJQ-PZJWPPBQSA-N 375.513 0.579 0 40 GCAB COC1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 656869781 FXMSPYDCDRKNIS-UHFFFAOYSA-N 385.461 0.939 0 40 GCAB Cc1nnc2ccc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nn12 2298233202 GIHCHBXNELJQSJ-UHFFFAOYSA-N 376.428 0.950 0 40 GCAB CNc1nc(OC)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1 866570 VSMPTWBKRQQDQO-UHFFFAOYSA-N 375.370 0.012 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3C2=C=C=C(Cl)C=C2)n(C)c1=O 2208523 NCIMLXIEIAJWBY-UHFFFAOYSA-N 387.783 0.220 0 40 GCAB CCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 4357382 UFUKRTPRCHAYGL-AWEZNQCLSA-N 387.433 0.205 0 40 GCAB CCN1CCN(c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)CC1 4370916 RVFPPHVIRQPTAE-UHFFFAOYSA-N 396.495 0.932 0 40 GCAB COC(CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C)OC 5339795 LTPROGJYPGIKIE-UHFFFAOYSA-N 385.442 0.209 0 40 GCAB COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(C)cc3)S[C@@H]21 8254657 FEXRXHDYNOWKFZ-XFIYOXNOSA-N 379.482 0.751 0 40 GCAB biogenic,in-vitro Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1C(N)=O 12929047 NKNVEEOIUASFCF-UHFFFAOYSA-N 394.428 0.410 0 40 GCAB COCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768868 OMJKFLBNRGULGF-UHFFFAOYSA-N 397.497 0.630 0 40 GCAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 22056486 GOKGCZDZMSJICV-HUUCEWRRSA-N 390.527 0.611 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1CCCC1 22228151 MTYCPIDBEYDCHX-UHFFFAOYSA-N 395.481 0.383 0 40 GCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc21 41091409 ZQKFSQSRXKUFDB-AWEZNQCLSA-N 389.433 0.851 0 40 GCAB C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nncn1C 95942006 NLIBFRKVJQRRFL-NSHDSACASA-N 377.426 0.482 0 40 GCAB COC[C@@H](C)C(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 108367142 DVNGAJBVOFYLCX-OWCLPIDISA-N 381.498 0.533 0 40 GCAB Cc1noc(C)c1S(=O)(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 206734952 AJANQUZXPNWPSW-UHFFFAOYSA-N 382.446 0.785 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1cccnc1 225386716 MXMCXXBCXGWUJG-SJORKVTESA-N 382.420 0.233 0 40 GCAB biogenic,in-vitro CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cccnc3)CN(C)C(=O)C2)CC1 225406292 DAKZMEFSXPOYNX-RTBURBONSA-N 387.528 0.962 0 40 GCAB biogenic,in-vitro CNC(=O)COc1ccc(S(=O)(=O)NCc2cc(C)nn2C)cc1Cl 226686128 YAWDFEHKCWDYBT-UHFFFAOYSA-N 386.861 0.985 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)C3CCOCC3)CC2)CC1 257303979 SJONTKZJNMNTPL-FQEVSTJZSA-N 381.517 0.757 0 40 GCAB Cc1cnc(OC(C)C)c(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c1 626575787 QEIHZGFQUSSJIR-CYBMUJFWSA-N 386.474 0.959 0 40 GCAB Cc1noc(C)c1CN1CC[C@H]2[C@H](CC(=O)NC3CS(=O)(=O)C3)OC[C@H]2C1 1565550946 KGYHZASGSLEVOB-UNEWFSDZSA-N 397.497 0.432 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@H](C)NC(=O)c2ccccc2)NC(=O)N[C@@H]1C 5231863 QQVZFEKKCRBYKY-NEPJUHHUSA-N 389.408 0.867 0 40 GCAB COC(=O)CCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 8343874 NWZWXNZASIRKCF-STQMWFEESA-N 384.454 0.777 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12234804 KBHARVCVVDVJHR-CQSZACIVSA-N 383.445 0.716 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 12239567 NLLHHEHAIOTBQE-HIFRSBDPSA-N 389.481 0.971 0 40 GCAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccc2c(c1)OCO2 12623667 WOBXORIBUGKLJK-OAHLLOKOSA-N 377.328 0.826 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 19581235 CQEOTGFSHMUALA-AWEZNQCLSA-N 376.432 0.411 0 40 GCAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1ccc(Cl)cn1 21704581 QCYQUJVMTCWQGG-UHFFFAOYSA-N 394.800 0.747 0 40 GCAB Cc1ccnc2nc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)nn12 25815367 RHYGRNBNUAIPHD-LBPRGKRZSA-N 375.410 0.855 0 40 GCAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCC(C(N)=O)CC2)Oc2ccccc21 26112642 YVCKOSOEVZKMBC-OAHLLOKOSA-N 381.454 0.328 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26843292 YFQIMANDJLPALW-CQSZACIVSA-N 376.457 0.810 0 40 GCAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 30944592 LPUABCXOVICTCS-KRWDZBQOSA-N 397.497 0.442 0 40 GCAB O=C(NCc1nnc2n1CCCCC2)C1=CN2CCS(=O)(=O)N=C2C=C1 40012921 FSBSMTNJFBVQPK-UHFFFAOYSA-N 376.442 0.118 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc3c(c2)OCCO3)C[C@@H](C)O1 40089347 APXHINMSUGLVIT-OKILXGFUSA-N 398.481 0.556 0 40 GCAB O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCN(Cc2ccccn2)CC1 89883724 WJYPKZCCDSTBFK-MRXNPFEDSA-N 377.470 0.746 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCCN1CCOCC1 96232279 UCMOIDJAZIQTCF-HNNXBMFYSA-N 378.429 0.319 0 40 GCAB Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)n1 100827118 LMHHPCYJUBLDJT-DBRQBWEZSA-N 391.225 0.881 0 40 GCAB COc1cc(=O)n2c(c1C(=O)NCc1ccc(S(N)(=O)=O)cc1)CCC2 244983847 ITLOGRLOLQSMSQ-UHFFFAOYSA-N 377.422 0.381 0 40 GCAB O=C(O)[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 579442093 DHCLYDWSYFBZGO-GJZGRUSLSA-N 382.438 0.406 0 40 GCAB CCn1cnc(C(=O)NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)c1 616410312 DCQODWWSDISBMK-KBXCAEBGSA-N 388.472 0.911 0 40 GCAB CN(C[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)O)cc2)C1)S(C)(=O)=O 621540225 PFIULTIHRJGLID-ZDUSSCGKSA-N 384.454 0.894 0 40 GCAB COCCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)C2(F)CC2)C1 1565550843 ISTPUHNWJWHACA-QGZVFWFLSA-N 379.436 0.711 0 40 GCAB Cn1c(O)nc(N2C[C@@H]3CN(C(=O)NCc4ccc(F)cc4)C[C@H]3C2)cc1=O 1888869718 VDMAGQPXTYYYIP-ZIAGYGMSSA-N 387.415 0.903 0 40 GCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2ccnn2C)CC1 2055738812 SHSVQAZGJTVLLE-UHFFFAOYSA-N 392.485 0.726 0 40 GCAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3cnn(C)c3)C2)n(C(C)C)n1 2332241746 ZVEPQJRSENDFDG-NWANDNLSSA-N 382.490 0.876 0 40 GCAB COc1ccc(OCCCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4243070 IKKKXIYJXZWFJV-ZDUSSCGKSA-N 385.438 0.701 0 40 GCAB CCOCCn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccc(C)cc2)n(C)c1=O 5210024 CTYJOLZWPKOBJV-OAHLLOKOSA-N 399.451 0.754 0 40 GCAB Cc1ccc(C2=NN[C@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 6204414 MMIZAZUVAUSVMY-RZFLPCETSA-N 384.498 0.315 0 40 GCAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)NC[C@@H]1CCCO1 8250936 CJHAENBZRBFBSE-RYUDHWBXSA-N 388.515 0.180 0 40 GCAB O=C(CNC(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 8708702 JRDPDZGQDIPCNL-UHFFFAOYSA-N 379.413 0.537 0 40 GCAB CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O 12603806 NCUNKLXSWYADDS-KVPLUYHFSA-N 390.480 0.831 0 40 GCAB biogenic,in-vitro COc1cccc([C@@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2nccn2C)c1 19291226 FELHQOCHSBITOZ-MRXNPFEDSA-N 383.408 0.346 0 40 GCAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 25223134 JQZZRPCTZQIZJN-UHFFFAOYSA-N 396.469 0.543 0 40 GCAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc2ccccc2c1 32928023 JELFNBXFMSDUKC-INIZCTEOSA-N 390.461 0.980 0 40 GCAB CC(=O)N1CCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2C1 96105707 RRFQZIYJAOKUJK-UHFFFAOYSA-N 395.463 0.497 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100928544 ORPWLMJRWWIUFM-HKWCOGSCSA-N 389.433 0.468 0 40 GCAB Cc1cc(C)c(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c(C)c1 219148765 CWRUGGFEFUXNBT-UHFFFAOYSA-N 383.514 0.826 0 40 GCAB NC(=O)C1CCN(CCC(=O)N2CCC[C@@](O)(CN3CCCC3)CC2)CC1 257338680 YYMQCLJWOPOCDF-FQEVSTJZSA-N 380.533 0.413 0 40 GCAB CN(C)CCNC(=O)c1cnc2n1C[C@@H](NC(=O)c1cccc(N(C)C)c1)CC2 306141323 VRZSGXPSZICNJY-INIZCTEOSA-N 398.511 0.985 0 40 GCAB Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(C(=O)c2ccncc2)C1 306143313 XYMZGAHMIYTZQY-LJQANCHMSA-N 377.408 0.621 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C 408587723 BYTIEIMVDRLFLV-LBPRGKRZSA-N 383.470 0.394 0 40 GCAB Cc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1C 408627896 RDDJCPBEWAPHNM-INIZCTEOSA-N 383.514 0.906 0 40 GCAB Cn1cc(-c2cc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)ccn2)cn1 575618971 SFVISNKFEPINIP-UHFFFAOYSA-N 377.470 0.770 0 40 GCAB Cn1ncnc1[C@H]1COCCN1C(=O)CCCn1nnc(-c2ccccc2)n1 585081199 MLUJPSJDYJITSV-OAHLLOKOSA-N 382.428 0.849 0 40 GCAB Cc1cc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)nn1-c1ccccc1 585123620 ODHODFCMBYZSFT-HNNXBMFYSA-N 393.469 0.963 0 40 GCAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(=O)n(C)c(=O)n4C)CC3)ncn2)n1 1889141320 OFIWKVPPHIRUSJ-UHFFFAOYSA-N 396.455 0.003 0 40 GCAB CC(C)N(C)CC(=O)NC[C@@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1 2055754757 NKKRXPKFQGOYKG-AWEZNQCLSA-N 377.489 0.980 0 40 GCAB CSc1ccc(/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 3365241 MZEQFNKQGOWQFN-RMKNXTFCSA-N 389.433 0.827 0 40 GCAB CCOC(CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2)OCC 4850612 FLIXQWABRYXOAF-UHFFFAOYSA-N 375.425 0.976 0 40 GCAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NCC(F)(F)F)C2=O 6508083 OUPDPCRSTLNZQI-XPTSAGLGSA-N 379.335 0.709 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 12234743 OKJCDTBXWQSSRL-UHFFFAOYSA-N 385.511 0.886 0 40 GCAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)[C@H]2CC(=O)N(C)C2)cc1 12326203 USYJRQCMLQFZLO-HNNXBMFYSA-N 381.436 0.940 0 40 GCAB CCCn1nc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 32754751 MXQQPTHSUSXILM-UHFFFAOYSA-N 392.481 0.960 0 40 GCAB O=C(COc1ccc(-c2nnco2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 35421604 VXQGHBIRZVGIJB-UHFFFAOYSA-N 399.451 0.882 0 40 GCAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N3CCC4(CC3)OCCO4)snc2c1=O 49409901 HRYVZXKCIYOHOO-UHFFFAOYSA-N 394.453 0.781 0 40 GCAB biogenic C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 80357160 QKSREAAMPXRPOC-NXEZZACHSA-N 398.466 0.681 0 40 GCAB Cc1nc(OCC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc(-n2cccn2)n1 96098787 NELRGZZYDQRQBZ-UHFFFAOYSA-N 397.443 0.910 0 40 GCAB COCCNC(=O)CNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118903 ORGKXMZUHYGSFU-UHFFFAOYSA-N 384.392 0.713 0 40 GCAB Cc1cnc(C(=O)N2CCC3(CC2)NC(=O)[C@H]2CN(c4ncccn4)C[C@H]23)cn1 96262195 MQCMIVHLRSVBKF-LSDHHAIUSA-N 393.451 0.432 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2cccc(Br)c2)CC1 97512914 FKDPOYGHBIXUCP-UHFFFAOYSA-N 379.218 0.420 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(C)cn2)[C@@H](O)[C@@H]1O 257269434 MPXOAUKQYOXCIY-UIBBOPPKSA-N 397.439 0.427 0 40 GCAB NCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)cc1 257319983 VUVUCWSGEUFRAV-GUDVDZBRSA-N 377.485 0.758 0 40 GCAB CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)O 1573558366 LARCHVKLVBWLOD-GFCCVEGCSA-N 376.456 0.942 0 40 GCAB CN(C)S(=O)(=O)N(C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971870 WDOFVLRVJULUAG-UHFFFAOYSA-N 388.457 0.113 0 40 GCAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(C)(=O)=O)C2)n(-c2nc3ccccc3[nH]2)n1 2332241744 ZSDNOYFIYKXFHY-NILFDRSVSA-N 390.469 0.998 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)COc1ccccc1 640019 SRABDIMTIAXGMA-SECBINFHSA-N 395.213 0.626 0 40 GCAB biogenic COc1ccc(C)cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 785360 FOKISEIYKRJPIO-UHFFFAOYSA-N 383.470 0.494 0 40 GCAB CN1CCN(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 4370921 LVADSXROVTZZST-UHFFFAOYSA-N 387.419 0.185 0 40 GCAB O=C(OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 5463651 PIGNGCMSUDDEEI-CYBMUJFWSA-N 381.406 0.750 0 40 GCAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCOCC3)s2)cc1 8588198 ZFCRYEVPDFFOPM-UHFFFAOYSA-N 384.439 0.820 0 40 GCAB COc1ccc2c(C)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc2c1OC 9184082 KXQQHVHNRPFYOO-NSHDSACASA-N 395.433 0.964 0 40 GCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)NCCN3CCc4ccccc43)ccc2[nH]1 12238971 VDCNZYSETXUNPK-UHFFFAOYSA-N 386.433 0.557 0 40 GCAB CCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 12737021 UUEFQTJXYKKWNT-UHFFFAOYSA-N 387.845 0.914 0 40 GCAB O=C(COc1ccc2c(c1)OCO2)N1CCN(c2ccc3nncn3n2)CC1 13700235 FJKXQJIBWGTPJK-UHFFFAOYSA-N 382.380 0.581 0 40 GCAB O=C(C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 15675217 OYKFPMVMRNCYOA-KVPLUYHFSA-N 389.427 0.506 0 40 GCAB biogenic,in-vitro Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 20674080 HLRGGGNXVRQUBN-ZDUSSCGKSA-N 382.424 0.638 0 40 GCAB CN1CCN([C@@H]2[C@@H](O)[C@H](NC(=O)Nc3ccc(F)cc3)[C@H]3CO[C@@H]2O3)CC1 22922187 IJWSHARVXVDGLL-OVYGPGRDSA-N 380.420 0.048 0 40 GCAB biogenic,in-vitro CCOC(=O)c1ccsc1NC(=O)CN1CCCN(S(C)(=O)=O)CC1 24925503 ZAWABTPMIBLRDP-UHFFFAOYSA-N 389.499 0.831 0 40 GCAB Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 27914500 LQLJKCNMUZCMLP-UHFFFAOYSA-N 388.449 0.866 0 40 GCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 32641434 AQHJUPSRPLUUOF-OCCSQVGLSA-N 399.465 0.824 0 40 GCAB Nc1ncnc2c1c(C#CCNC(=O)C(F)(F)F)cn2[C@H]1CC[C@@H](CO)O1 34332306 WUXCPWCITSUNMX-WDEREUQCSA-N 383.330 0.713 0 40 GCAB O=C(CCNC(=O)c1ccsc1)NCCCn1nc2n(c1=O)CCCC2 42731902 QBKOQVJMXKENMF-UHFFFAOYSA-N 377.470 0.769 0 40 GCAB CC[C@H]1CN(C(=O)CN2C(=O)c3cc(OC)c(OC)cc3S2(=O)=O)CCO1 60350431 GTHFWIVGEXSMFW-NSHDSACASA-N 398.437 0.486 0 40 GCAB CC(=O)N1CCC[C@@H]1C(=O)N1CC(C(=O)NCc2ccccc2CN(C)C)C1 72344618 ZLHYUXLGXOGRSR-LJQANCHMSA-N 386.496 0.834 0 40 GCAB CNC(=O)c1cnc(C)nc1CCNS(=O)(=O)c1cn(CC(C)C)nc1C 72352082 BQJVAAQNQDTBIQ-UHFFFAOYSA-N 394.501 0.827 0 40 GCAB COc1cccc(NC(=O)CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1 95962961 OPXZKPBIFZNCBS-MRXNPFEDSA-N 381.498 0.875 0 40 GCAB O=C(NCCC(=O)N1CCn2c(n[nH]c2=O)C1)c1ccc(Br)cc1 97141331 DCRQZZSHXXQPQB-UHFFFAOYSA-N 394.229 0.496 0 40 GCAB CCOC(=O)[C@@H]1SC(SCC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)=NC1=O 103008025 PDBMCOYVXIEXOH-INTQDDNPSA-N 390.483 0.985 0 40 GCAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cn(C)cn1 225354128 UEFGTMQJMHFWKK-AAEUAGOBSA-N 383.401 0.943 0 40 GCAB CCN1CCN(C(=O)NCCc2c(C)nn(-c3ccccn3)c2C)C(=O)C1=O 225583261 JIMCEIBNOLIALC-UHFFFAOYSA-N 384.440 0.827 0 40 GCAB CCCCCCC1=C(CC(=O)O)C(=O)N([C@H](CCCNC(=N)N)C(=O)O)C1=O 253398917 HVNIEXYPCXLFHA-CYBMUJFWSA-N 396.444 0.813 0 40 GCAB biogenic,in-vitro CN1CC(CN(C)C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 618192207 GRYDBZGRBJNKKQ-UHFFFAOYSA-N 376.276 0.730 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 1565548780 JMTVOVKXOWABAH-VQIMIIECSA-N 377.416 0.630 0 40 GCAB Cc1c(C(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccnc4)C[C@]3(C)C2)cnn1C 1616033065 KDBBJKCPGJIYOC-KDOFPFPSSA-N 389.481 0.906 0 40 GCAB CN1C[C@@H](C(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)CC1=O 1775995341 OXNRLFGFZSJDMP-HNNXBMFYSA-N 397.483 0.909 0 40 GCAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2CCO)c1=O 4940509 CHEVQYKJDTVXBP-UHFFFAOYSA-N 385.380 0.401 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc(Cl)cc2)n(C)c1=O 6371127 MMGDFVKNGOGHLX-UHFFFAOYSA-N 390.783 0.513 0 40 GCAB Nn1c(SCC(=O)NCCN2C(=O)CSC2=O)nnc1-c1ccco1 9507285 KDCDTACLAASRSC-UHFFFAOYSA-N 382.427 0.156 0 40 GCAB O=S(=O)(NCCN1CCOCC1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585835 FAPKYDMIBRJOFA-UHFFFAOYSA-N 399.494 0.336 0 40 GCAB CN1C[C@H](C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1=O 19587167 HEHNOVVWUOYVQZ-CQSZACIVSA-N 385.420 0.917 0 40 GCAB CNc1nc(C2CCNCC2)nc2c1CCN(CCC(=O)N1CCOCC1)C2 19711293 NJIKAVHVHZXQLA-UHFFFAOYSA-N 388.516 0.592 0 40 GCAB COc1cc2[nH]c(O)c(C(=O)NCCN3CCOCC3)c(=O)c2cc1OC 19999174 SABYNYZSCJUDPD-UHFFFAOYSA-N 377.397 0.313 0 40 GCAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 20635719 VXRPDWJUZVWCTN-AWEZNQCLSA-N 396.451 0.680 0 40 GCAB Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)nc2n(C)c1=O 24569345 YVMSMCSCEDVWBS-UHFFFAOYSA-N 399.476 0.652 0 40 GCAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 33330780 VHTXFXXQWCIUMR-SECBINFHSA-N 380.426 0.701 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375415 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CS(=O)(=O)N[C@@H](CC(=O)NCCN1CCOCC1)c1ccc(Cl)cc1 225952910 NEJBDCJEDJQODZ-HNNXBMFYSA-N 389.905 0.769 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)CCCc3nc4ccccc4[nH]3)C[C@H]2O)c(O)nc1=O 257256571 KMAQBNICFLMGCJ-HZPDHXFCSA-N 397.435 0.901 0 40 GCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@H](Oc3ncccn3)C2)c1 306134706 NVSHMDPZSBPHHS-CYBMUJFWSA-N 375.414 0.059 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 575406556 YAEROBXTXDGXNP-HYVNUMGLSA-N 377.485 0.888 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)CC1 575414032 PIPZQBWOWBJLGH-KRWDZBQOSA-N 382.438 0.896 0 40 GCAB O=C(O)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 652053072 QFIPZOIHIHJJQW-QWRGUYRKSA-N 391.243 0.773 0 40 GCAB CN1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncccn3)c2)[C@@H]1c1cnn(C)c1 666188959 OLIJOEMIZKUZTO-HOTGVXAUSA-N 397.443 0.589 0 40 GCAB CC[C@](O)(C(=O)OCc1ccc(N2C(=O)CC[C@]2(O)C(=O)O)cc1)[C@@H](C)O 1772591209 LTKIIGKZQKJIIY-AFBMGJRZSA-N 381.381 0.152 0 40 GCAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)N(C)C 3196037 JIWPPBBEOLOCIQ-SGUJLRQBSA-N 389.861 0.849 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(=O)n(C)c1=O 3250030 AYSJAJQRWZRMLC-UHFFFAOYSA-N 398.419 0.896 0 40 GCAB COCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 4045928 HLOUORRPJMPZAJ-GTNSWQLSSA-N 378.381 0.626 0 40 GCAB biogenic CC(=O)Nc1ncnc2c1ncn2[C@@H]1C[C@H](OC(C)=O)[C@H](COC(C)=O)O1 4916563 CBOSURABYCYSHO-AVGNSLFASA-N 377.357 0.567 0 40 GCAB CCN(C(=O)CSc1nnnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 6144841 LKMYJZWOPGIMKQ-CYBMUJFWSA-N 381.483 0.790 0 40 GCAB Cc1ccc(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 6371090 OQMSWHNWPJWFGB-UHFFFAOYSA-N 384.392 0.477 0 40 GCAB CCn1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 6490361 UHBBAKIHWIINST-ZIAGYGMSSA-N 394.501 0.915 0 40 GCAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 8652095 AHXUQWFJPHVJCY-GFCCVEGCSA-N 382.424 0.478 0 40 GCAB CC1(C)NC(=O)N(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1=O 9224002 JGPSMSBYOIIWPR-UHFFFAOYSA-N 396.450 0.969 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ncc(C(=O)OCC)c(N)n1 9415006 RESVUMUUICYYMH-MRVPVSSYSA-N 399.429 0.105 0 40 GCAB CNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NCCOC 12848863 PVPPLXGEJCJQSY-UHFFFAOYSA-N 383.426 0.154 0 40 GCAB COC(=O)C1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 38772891 GROXGNIBJWGICL-HNNXBMFYSA-N 382.438 0.625 0 40 GCAB O=C(NCc1cccnc1N1CCOCC1)c1cnc2nc(O)[nH]c(=O)c2c1 40119063 OAPYFHNJBSOKRV-UHFFFAOYSA-N 382.380 0.185 0 40 GCAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 77200007 IPQZPQHRVHDSLM-OAHLLOKOSA-N 381.454 0.456 0 40 GCAB C[C@](O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)OCO2 90594152 NMOKFXREMXOUFI-KRWDZBQOSA-N 384.454 0.411 0 40 GCAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 244933182 CFLCBBJLVSZYTQ-FVQBIDKESA-N 386.445 0.947 0 40 GCAB O=S1(=O)C[C@H]2N[C@H]3CS(=O)(=O)C[C@H]3N(Cc3ccccc3Cl)[C@@H]2C1 575421532 IYSTZUSYCFDMRV-LXTVHRRPSA-N 390.914 0.076 0 40 GCAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)CN3CCOC3=O)CC2)c1=O 575607253 YRSGDVOONVLSRX-UHFFFAOYSA-N 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O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)C1 96000213 KQWDJULKGQEJDM-OAHLLOKOSA-N 375.454 0.769 0 40 GCAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5c4cnn5C)CC3)nn2)n1 133263532 ADQNXMRJFDXBJR-UHFFFAOYSA-N 376.428 0.974 0 40 GCAB Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1 257204132 ATDOTDCCXJGBHZ-KRWDZBQOSA-N 393.469 0.045 0 40 GCAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)CCn2ccccc2=O)C[C@H]1O 257303689 SIHBDORQCCFIDX-RBSFLKMASA-N 395.456 0.086 0 40 GCAB Cc1csc2nc(CN3CCS(=O)(=O)C[C@@H]3c3cnn(C)c3)cc(=O)n12 566655623 YGNREWMCGCXDMI-CQSZACIVSA-N 393.494 0.770 0 40 GCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCCN2CCCC2)C1 585291356 NZYLQDBXFOQMAC-CTNGQTDRSA-N 375.513 0.629 0 40 GCAB O=C(O)C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2124599 SAGDIVIDRJDDCK-ZDUSSCGKSA-N 375.333 0.705 0 40 GCAB biogenic Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2n1 5944264 UTZMCZHBAXIIQG-UHFFFAOYSA-N 382.376 0.563 0 40 GCAB COc1ccc(CC(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8739281 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ZAFOOVZARWHPBO-UHFFFAOYSA-N 391.519 0.064 0 40 GCAB Cc1cc(C(=O)N2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)no1 253476754 BETBKSWGKALOAF-LBPRGKRZSA-N 378.410 0.481 0 40 GCAB O=C(NCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1)c1ccccc1 257240895 HVPVEDZWBBJFKD-FQEVSTJZSA-N 375.469 0.492 0 40 GCAB c1ccc(-c2cn(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)cc1 1072414 YQFPNTRWYRWYLU-UHFFFAOYSA-N 394.439 0.793 0 40 GCAB C[C@@H]1OC(C)(C)O[C@H]1[C@@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1 4114230 PRBIBKGAXKRAAU-XHVZSJERSA-N 386.412 0.728 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(OC(F)F)c1 11700828 YAIDDINZJNBQNB-VIFPVBQESA-N 387.339 0.795 0 40 GCAB COC(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12809931 SNVSRKFNEFIYMK-ZDUSSCGKSA-N 393.421 0.577 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)c1 12814281 APSAFZKLOVKUJN-UHFFFAOYSA-N 376.438 0.769 0 40 GCAB Cn1c(=O)c2c(nc(NCCCO)n2Cc2ccccc2Cl)n(C)c1=O 13403091 PGFIJXMPFJEYIX-UHFFFAOYSA-N 377.832 0.930 0 40 GCAB biogenic CN1CCN(N2CN(CCN3CCOCC3)Cn3c2nc2ccccc23)CC1 20637223 DCRHSCQALMWGTO-UHFFFAOYSA-N 385.516 0.568 0 40 GCAB NS(=O)(=O)c1ccc(F)c(C(=O)OCn2nnc3ccccc3c2=O)c1 24200360 MFRYDQLJODYIRI-UHFFFAOYSA-N 378.341 0.393 0 40 GCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35374907 UFCUFNYWCRERRM-WCCRFQNCSA-N 388.399 0.220 0 40 GCAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N1CCN(c2cnccn2)CC1 40039624 GISGRZJJZHWFLC-UHFFFAOYSA-N 386.456 0.770 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 40081936 JUMRHQXRBYYOSB-GFCCVEGCSA-N 392.499 0.796 0 40 GCAB COCCOCC1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1 49028945 UZCXCAADMZDJHG-UHFFFAOYSA-N 376.475 0.230 0 40 GCAB COc1ccc(CNC(=O)[C@@H]2CN(C(=O)CN(C)C)Cc3cn(C)nc32)cc1 72345632 LGIPPYAXEVNFDY-QGZVFWFLSA-N 385.468 0.733 0 40 GCAB O=C(Cc1cccs1)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100228 UWWURJKIJDBXIA-UHFFFAOYSA-N 398.448 0.950 0 40 GCAB COC[C@](C)(O)CNC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 78947358 HZRIRMGBEAHKLN-LJQANCHMSA-N 393.440 0.708 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@]2(O)CCOC2)cc1 89969066 OVVHCHLRJJNWBI-SFHVURJKSA-N 384.498 0.917 0 40 GCAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 95479986 COTPKNVSTQLMRI-OCCSQVGLSA-N 383.861 0.804 0 40 GCAB CC(C)CN(C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[C@H]1CCS(=O)(=O)C1 101964820 XHNAXFQAOQRCGU-SOUVJXGZSA-N 382.482 0.609 0 40 GCAB CO[C@](C)(C(=O)O)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 663073256 PLXCVKSESZQQDQ-LIRRHRJNSA-N 378.425 0.923 0 40 GCAB O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCO[C@@H]([C@H]2CCCO2)C1 671771336 YMNBVIXNHKWFHR-ZIAGYGMSSA-N 394.453 0.248 0 40 GCAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2cncc(C)n2)CCO3)nc1 1565541695 RBIHQFKIAQNNRF-FXAWDEMLSA-N 398.467 0.560 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(N2CCOCC2)CCSCC1 1775976052 USELPVXVMPNMFG-UHFFFAOYSA-N 388.559 0.913 0 40 GCAB OC[C@@H]1O[C@@H](n2cnc3c(SCc4ccccn4)ncnc32)[C@@H](O)[C@@H]1O 4823432 MYLPTWRLZBDWTN-YPHNTLSLSA-N 375.410 0.125 0 40 GCAB COC(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 7404422 LHEQJXVRYRYVKH-AWEZNQCLSA-N 376.390 0.915 0 40 GCAB CNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 8938890 JMNAHNHMSMUUPX-BOLDSZDNSA-N 397.453 0.600 0 40 GCAB COc1cc(OC)c2c(C)c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)oc2c1 9481154 ZWHCNXRAPBZINZ-LLVKDONJSA-N 395.433 0.964 0 40 GCAB CCCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 13042309 OXIFAESBTBCMSO-TXKKKEFDSA-N 399.513 0.913 0 40 GCAB Cc1c(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cnn1C(F)F 19553047 XYNCZGUMXOFCGB-UHFFFAOYSA-N 377.461 0.987 0 40 GCAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc2c(c1)OCO2 22997073 REIBBPQSGFGCGD-CQSZACIVSA-N 379.413 0.509 0 40 GCAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24013409 YSCYLIJWWMYIFH-QGZVFWFLSA-N 391.493 0.758 0 40 GCAB CCN1CCN(C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 24613735 KWBCRDKBZCJWTC-AWEZNQCLSA-N 397.497 0.776 0 40 GCAB COc1ccc(-c2noc(CN(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 32927297 SSNZVJNCLLYWMF-ZDUSSCGKSA-N 394.453 0.480 0 40 GCAB COC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 48237780 ZOTOZGLATDMTHP-FNORWQNLSA-N 382.438 0.734 0 40 GCAB CCN1C(=O)[C@H]2CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCN2C1=O 79024841 RZNPXCWSTKODMT-CYBMUJFWSA-N 391.424 0.750 0 40 GCAB Cc1cccc(CS(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c1 238930069 UZTWLBVQHRNACT-UHFFFAOYSA-N 398.510 0.945 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1C(=O)O 285485466 ORCRYQFJJFETJT-UHFFFAOYSA-N 396.343 0.789 0 40 GCAB COc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN(C)C 585273511 QFQYUMRCEKACLX-OAQYLSRUSA-N 393.528 0.905 0 40 GCAB COc1ccccc1N1CCN(C(=O)CCCC(=O)N2CCNC(=O)C2)CC1 604419394 JENGELDYSKCOIX-UHFFFAOYSA-N 388.468 0.473 0 40 GCAB NS(=O)(=O)Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 669658471 ONXYUNVSCQFEIR-INIZCTEOSA-N 389.481 0.948 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 681943177 UJLNIQXIASBMPN-INIZCTEOSA-N 376.409 0.325 0 40 GCAB CN(Cc1nnc2n1CCOCC2)C(=O)CCN1C(=O)c2ccccc2C1=O 1615551443 XJAPFSBTDRHXEB-UHFFFAOYSA-N 383.408 0.496 0 40 GCAB CS(=O)(=O)CCC(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cccnc3)C[C@H]2C1 2055729982 MCPIMDZXXKDPHS-OFQRWUPVSA-N 395.481 0.708 0 40 GCAB CN1CCN(C[C@H]2CC[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)O2)CC1 2055795717 JLPYVXQMQOBKFP-XLIONFOSSA-N 381.517 0.316 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)COc1ccccc1 640017 SRABDIMTIAXGMA-VIFPVBQESA-N 395.213 0.626 0 40 GCAB biogenic C[C@H](OC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)NC(N)=O 3379064 IOCYOFONXPNKGX-OVSFNBESSA-N 395.412 0.843 0 40 GCAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)c1 5938621 GAGAYXZLZPSRDQ-HNNXBMFYSA-N 392.389 0.656 0 40 GCAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 7986679 YZBGOXXNIKNQTJ-KGLIPLIRSA-N 394.449 0.194 0 40 GCAB COc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1OC 9827634 ATEZRFFVTDFOGA-UHFFFAOYSA-N 380.426 0.609 0 40 GCAB C[C@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 13512515 AVIZFVWZAZAQCF-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB CN(C)CCNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 22906662 DIVMUONMBGRQEM-HXUWFJFHSA-N 395.507 0.975 0 40 GCAB Cn1cccc1C(=O)NCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 24838109 YTIRTVIQWZFEDK-UHFFFAOYSA-N 379.438 0.895 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)[C@H]2Cc3ccccc3O2)c(=O)[nH]c1=O 39995484 RUBCBWUNVKTKIN-CQSZACIVSA-N 388.424 0.512 0 40 GCAB CC(C)Cc1nnc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)s1 71279329 LGWVZTSLVVVDPU-SNVBAGLBSA-N 399.498 0.841 0 40 GCAB CN1CCN(CCOc2ccccc2CN2CC[C@@]3(CC(=O)NC3=O)C2)CC1 82106766 QLSFRYYCPUPTPI-OAQYLSRUSA-N 386.496 0.551 0 40 GCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)C[C@@H](C)O1 106560885 SEWNRHZVVWGABG-IOASZLSFSA-N 396.465 0.843 0 40 GCAB CC1(C)S[C@]2(C)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 257173383 LRPHFKKYEGFXMH-HBGPKNEHSA-N 379.438 0.414 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C 257199860 ABBPLIMIDYXVFS-GFCCVEGCSA-N 375.395 0.878 0 40 GCAB CCCS(=O)(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306125114 CHRBLSGZSOQNIB-AWEZNQCLSA-N 388.511 0.827 0 40 GCAB CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 4988295 VDOHNNNSLSNEMQ-UHFFFAOYSA-N 394.563 0.311 0 40 GCAB CCOC(=O)COc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1 6954994 DZGXGOXPQOXSKZ-JYRVWZFOSA-N 378.406 0.859 0 40 GCAB C[C@H](Sc1nc(Cl)nc2nc[nH]c12)C(=O)N[C@H]1CCS(=O)(=O)C1 8992925 LOZOBTKRZOPBKC-BQBZGAKWSA-N 375.863 0.790 0 40 GCAB COc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1S(N)(=O)=O 9120431 RXZCSDWBTSNVKP-UHFFFAOYSA-N 384.443 0.028 0 40 GCAB CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC1 11406371 YNLGYWXVIDGQBT-RZXPCSSPSA-N 386.495 0.659 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 14207268 HXNCAKWBBUSNNN-UHFFFAOYSA-N 380.492 0.184 0 40 GCAB CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 24697228 CNCSROBEZWPHCS-UHFFFAOYSA-N 396.513 0.335 0 40 GCAB COc1ccc(NC(=O)CNCCN(C)C)cc1S(=O)(=O)N1CCCCC1 25435887 LEJVPCSQXNLFPQ-UHFFFAOYSA-N 398.529 0.960 0 40 GCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 29192589 OWFSKFIQVLQPAC-OAHLLOKOSA-N 379.482 0.896 0 40 GCAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36366158 ZJHWVOXFBIUUAV-IINYFYTJSA-N 382.442 0.458 0 40 GCAB C[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)Nc1ccc(N2CCOCC2)cc1 51568071 MRXQJDXVXKNQCM-UONOGXRCSA-N 375.425 0.920 0 40 GCAB CN(CCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)S(C)(=O)=O 83860886 GWVVSEHULWHCLT-SFHVURJKSA-N 395.573 0.807 0 40 GCAB OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 197955697 HSTZMXCBWJGKHG-VIIFBZROSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)Cc1ccc(Cl)cc1 243048793 IDRHUAMYASYQRX-UHFFFAOYSA-N 389.905 0.550 0 40 GCAB CC[C@H](NC(=O)CN1C(=O)N[C@H]2[C@@H]1N(C)C(=O)N2C)c1ccc(OC)cc1 253372174 DOTZIJGHDXNKEW-NUEKZKHPSA-N 375.429 0.937 0 40 GCAB CC(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)C[C@@H]1C(=O)N(C)C 257251087 JPIIVNQCYRVRHB-GOSISDBHSA-N 383.452 0.693 0 40 GCAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1 260840495 VTCCJXRXUHWVLG-PXAZEXFGSA-N 382.438 0.991 0 40 GCAB O=C(C[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21)NCC1CCOCC1 585095326 MRSFZTCXFTZFPU-MRXNPFEDSA-N 384.440 0.803 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(c5ncncc5F)C[C@H]4C3)ncnc21 1888906690 NOTRGXMCQQGLSB-STQMWFEESA-N 384.419 0.974 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)CCC(=O)c2cccs2)c(=O)n(C)c1=O 2657818 HYTNUWRUTUAPLH-UHFFFAOYSA-N 379.394 0.117 0 40 GCAB NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3282852 KKVSOOOZTMRLDL-UHFFFAOYSA-N 392.389 0.901 0 40 GCAB O=C1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)=NN1 8109688 DJJBLNVCMRKHIH-UHFFFAOYSA-N 384.845 0.439 0 40 GCAB C[C@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1 12145996 RGYKLBRYZAJCIV-CYBMUJFWSA-N 378.396 0.551 0 40 GCAB OCC(CO)(CO)NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421989 JNTURZSSRWZGQN-ZDUSSCGKSA-N 382.888 0.840 0 40 GCAB CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 13098115 RKAWGJQJVZXQSC-MRXNPFEDSA-N 394.497 0.812 0 40 GCAB CN1CCC[C@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 19750974 TWUONJCFKNTMMP-SFHVURJKSA-N 382.464 0.989 0 40 GCAB NC(=O)Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21 20562634 TYTBRMHPKNHCAA-UHFFFAOYSA-N 377.360 0.747 0 40 GCAB CC(C)CNC(=O)CN1CCN(CC(=O)NCCOc2ccccc2)CC1 23186799 VTLOSDMWKSNGQG-UHFFFAOYSA-N 376.501 0.571 0 40 GCAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32736749 JYUCMPYHOPHVCL-CHWSQXEVSA-N 375.425 0.842 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@@H](C)O1 40081071 KAXPPYUKGMGILD-FKZIUMHTSA-N 383.470 0.791 0 40 GCAB CCCN(CCC)S(=O)(=O)N1CCN(CCNC(=O)c2ccco2)CC1 40086231 URKQOULKNSDSHV-UHFFFAOYSA-N 386.518 0.994 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)c2cnc3ccccn3c2=O)c(=O)[nH]c1=O 40129128 UQEDLDXKDHAQNH-UHFFFAOYSA-N 384.396 0.203 0 40 GCAB CS(=O)(=O)N1CCC(CNC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 58157283 XCUAIQBLJZFVEM-UHFFFAOYSA-N 393.465 0.461 0 40 GCAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)N2CCOCC2)c(=O)c1CCO 67301121 LSBRKVVGZJZJGF-UHFFFAOYSA-N 375.400 0.751 0 40 GCAB CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)CCNC(=O)c1cccs1 69946440 VXYLWXWWZJCCRP-UHFFFAOYSA-N 383.470 0.784 0 40 GCAB O=C(c1ccco1)N1CCN(c2nc(N3CCOCC3)c3n[nH]nc3n2)CC1 70655793 BGRAGOQZNUMKFO-UHFFFAOYSA-N 384.400 0.140 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96263082 DHGKBSOMKLOMPZ-CQSZACIVSA-N 384.502 0.695 0 40 GCAB CCS[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 106382756 YPNFVZQPWZMHIF-LEOABGAYSA-N 392.426 0.823 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccnnc3)CC2)CC1 257316285 VEYAMKWMKHQVEW-LJQANCHMSA-N 375.473 0.434 0 40 GCAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 260752159 XSAAIZSBBFIVNW-SWLSCSKDSA-N 382.438 0.625 0 40 GCAB COc1cccc(N2C[C@H](C(=O)NCc3nc(OC)nc(OC)n3)CC2=O)c1 575604378 YYXOYHZIPCTZPZ-LLVKDONJSA-N 387.396 0.567 0 40 GCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@@H]21 585109879 FILQSVBDOWLAGR-ZDUSSCGKSA-N 376.436 0.652 0 40 GCAB COCCn1cc(CNS(=O)(=O)c2cn(C)nc2C(C)(C)C)c(O)nc1=O 1562022872 RTBWDVOBTDOXOV-UHFFFAOYSA-N 399.473 0.105 0 40 GCAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)Cc1ccc(F)cn1)C2 1565548465 DNIWPZAYOVLHBK-IBGZPJMESA-N 376.432 0.693 0 40 GCAB Cn1c(=O)c2ccccc2c(=O)n1CCCn1c(=O)c2ccccc2c(=O)n1C 1020739 QYNPMNNVJDROHS-UHFFFAOYSA-N 392.415 0.804 0 40 GCAB biogenic CCOc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCOCC4)cnc32)cc1 4139918 HGZAXIZFWQDCDU-UHFFFAOYSA-N 384.396 0.235 0 40 GCAB CCOC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O 4428335 YDQFEYZKJCQJIE-GWOFURMSSA-N 376.358 0.296 0 40 GCAB COc1cc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC 8729096 VSQZKKGLVXWRAP-VIFPVBQESA-N 392.412 0.375 0 40 GCAB COC(=O)c1nnn(CC(=O)Nc2ccc(OC)cc2OC)c1C(=O)OC 9674429 XGMIEXAEZVSRRC-UHFFFAOYSA-N 378.341 0.507 0 40 GCAB O=C1O[C@@H](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 12995989 HYHVNTAAFWCEQC-CJNGLKHVSA-N 378.450 0.620 0 40 GCAB C[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(N)=O 14241978 RQZNXSWEYPHVAI-ZYHUDNBSSA-N 384.410 0.028 0 40 GCAB CCN1CCN(C(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)CC1 16681491 ILDWYEXMLNHODZ-UHFFFAOYSA-N 385.486 0.488 0 40 GCAB COc1ccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 20567887 FWRLKXVGBBTONT-OAHLLOKOSA-N 399.513 0.688 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCC(Cc2ccccc2)CC1 20800256 ULXBASMPUGCQQT-GOSISDBHSA-N 387.480 0.831 0 40 GCAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(C)CC1)S(C)(=O)=O 22252151 FBEJMGKFRYBTIU-UHFFFAOYSA-N 385.486 0.877 0 40 GCAB COc1ccc(-c2noc(COC(=O)C3CCN(S(N)(=O)=O)CC3)n2)cc1 32778328 YJQICIKELHGNEQ-UHFFFAOYSA-N 396.425 0.704 0 40 GCAB COc1ccc(Cn2c(C)cn3c4c(=O)n(CC(=O)O)c(=O)n(C)c4nc23)cc1 36369809 YBYTVMQBKAAZIZ-UHFFFAOYSA-N 397.391 0.599 0 40 GCAB biogenic CN(C)S(=O)(=O)N1CCN(Cn2nc(-c3cccs3)ccc2=O)CC1 72405959 VMAAREOYBHYOQE-UHFFFAOYSA-N 383.499 0.353 0 40 GCAB O=C(Nc1nc(C(=O)N2CCN(c3ncccn3)CC2)co1)c1cnccn1 77099945 FZRDCGBVUJDHFP-UHFFFAOYSA-N 380.368 0.469 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCCNC(N)=O)s1 78823615 XJTVXIRALRRHEG-LBPRGKRZSA-N 388.515 0.774 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(CCS(=O)(=O)CC[C@]516)[C@H]2[C@@H]43 104287487 FGRJPSMYCYTGIC-OVGUFWMDSA-N 397.456 0.597 0 40 GCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cccnc4)C3)C2=O)o1 225398178 SKKOGJMMTVNOOB-AEFFLSMTSA-N 396.447 0.542 0 40 GCAB biogenic,in-vitro COCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225897852 UAPNOSYHSFCMIJ-UHFFFAOYSA-N 382.490 0.083 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 257314207 UVTQLNOHSVIKKN-IBGZPJMESA-N 395.525 0.338 0 40 GCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)[C@H]3CCOC3)C1)OC2 1565553802 JTGHXGVMDMTQTP-SGTLLEGYSA-N 375.429 0.098 0 40 GCAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O 10366100 KGHYMHFDLUHNDN-UHFFFAOYSA-N 375.410 0.481 0 40 GCAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCOCC3)[C@H]2O)cc1 12484097 MNYVHLIJXQYDAL-OVYGPGRDSA-N 379.413 0.002 0 40 GCAB biogenic,in-vitro C[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1 12750289 YFXWLNNZVXNWSS-AWEZNQCLSA-N 378.447 0.188 0 40 GCAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 12813802 HOIILQDVKSEOOM-GFCCVEGCSA-N 375.381 0.676 0 40 GCAB CC[C@]1(c2ccc(NC(=O)C(=O)NCCCN(C)C)cc2)CCC(=O)NC1=O 13692816 CVWVELUNAHGEAB-HXUWFJFHSA-N 388.468 0.777 0 40 GCAB O=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)[C@H]1CCS(=O)(=O)C1 19292437 JEQXZESSROSFBC-LBPRGKRZSA-N 380.470 0.069 0 40 GCAB CNc1nc([C@H]2CCCN(C(=O)C(C)(C)O)C2)nc2c1CN(C(C)=O)CC2 19711441 PPBQDSFDFLNYCX-ZDUSSCGKSA-N 375.473 0.900 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 19936580 ILYRWVKOCOKFEN-UHFFFAOYSA-N 383.407 0.580 0 40 GCAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 20635716 VXRPDWJUZVWCTN-CQSZACIVSA-N 396.451 0.680 0 40 GCAB CC(=O)N[C@H]1[C@H](OC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 34654313 KMIQMFHPUJUDMC-WRQOLXDDSA-N 389.401 0.068 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCC1 58195564 HHCGAGPXMRTUKR-SNVBAGLBSA-N 375.472 0.060 0 40 GCAB O=C(c1ccc2c(c1)OCCO2)C1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 89800332 QNQYFBAVFLUIJO-HUUCEWRRSA-N 381.450 0.510 0 40 GCAB CS(=O)(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)[C@@]2(CCNC2=O)C1 96262549 AHBKAAXWGZDAOR-SFHVURJKSA-N 392.481 0.086 0 40 GCAB CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@H]12 257351142 CHPHKXXDQSHQKC-LHGDZMGGSA-N 382.808 0.616 0 40 GCAB C[C@@](O)(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)O 569734177 ZUUSBHLGQLLVHB-GOSISDBHSA-N 378.450 0.982 0 40 GCAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575616038 OACPHSQEOLJEAH-UHFFFAOYSA-N 380.492 0.088 0 40 GCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4=O)C[C@@H]12 585101364 CHOJLMCQUASTEX-YUTCNCBUSA-N 397.428 0.387 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2csc(N)n2)CCO1 585285280 WWIMEQGNVSEPFU-QGZVFWFLSA-N 394.428 1.030 0 40 GCAB CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 604382325 OCNXZDIBICTPNE-CQSZACIVSA-N 379.473 0.595 0 40 GCAB biogenic,in-vitro CCOC(=O)C1=C(Cn2ccn3nccc3c2=O)NC(=O)N[C@H]1c1ccco1 1775971923 YRSKTAKYIPXWFE-HNNXBMFYSA-N 383.364 0.960 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 802834 XYZYIWJPBQEBNA-UHFFFAOYSA-N 381.410 0.132 0 40 GCAB O=c1c(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c2ccccc12 3230971 DRGLPDOUWUBHID-UHFFFAOYSA-N 399.428 0.385 0 40 GCAB COC(=O)CNC(=O)COC(=O)c1cccc(I)c1 3314377 QUAWBADSHPOBEU-UHFFFAOYSA-N 377.134 0.737 0 40 GCAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 7049166 MCSZGRGSIYADMC-CYBMUJFWSA-N 387.392 0.676 0 40 GCAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1n[nH]c(=O)c3ccccc13)C2=O 8134328 VBRFOQJEZXIQHL-UHFFFAOYSA-N 383.408 0.998 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(OC)c(OC)c1 10339418 ZVOXQIRMBPOFEV-JKSUJKDBSA-N 391.424 0.742 0 40 GCAB COc1ccc(Cl)cc1Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)O 12443267 BURCERLDYUSCNW-UHFFFAOYSA-N 393.787 0.924 0 40 GCAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(=O)[nH]c1 16044724 ZYUXCRXJNZLVIG-UHFFFAOYSA-N 378.406 0.753 0 40 GCAB O=C(Cn1cnc2c(cnn2[C@H]2CCS(=O)(=O)C2)c1=O)c1ccc(F)cc1 16849848 PYUZUIKJULZOTK-ZDUSSCGKSA-N 390.396 0.975 0 40 GCAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(CCO)CC4)[C@H]3[C@H](O)[C@@]21C 19370362 HMSAIGOZLMKVAN-ANPILNASSA-N 378.513 0.881 0 40 GCAB CN1C[C@@H](C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)CC1=O 19587189 LVYSGZAPEASDCX-ZDUSSCGKSA-N 398.467 0.568 0 40 GCAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(-n2cncn2)nc1 24889240 VPCQFPYUNLVUSN-UHFFFAOYSA-N 377.364 0.694 0 40 GCAB Cc1nc(CN2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cs1 25318224 CQWBGNWDLPPFDC-UHFFFAOYSA-N 383.499 0.395 0 40 GCAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(CC(=O)NC2CC2)CC1 35326434 DRHQKHHOVGHLLO-UHFFFAOYSA-N 385.472 0.097 0 40 GCAB CCOC(=O)Cc1csc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)n1 44459128 DEJJXGLPRRSBNO-UHFFFAOYSA-N 378.410 0.648 0 40 GCAB O[C@@H](COC[C@@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1 58158714 QZXAQHCFYSXRBS-MSOLQXFVSA-N 393.532 0.679 0 40 GCAB Cc1cc(N2CCC[C@H](NC(=O)Cn3c(=O)oc4ccccc43)C2=O)n(C)n1 95403713 PTKUOJBDVZKJLL-ZDUSSCGKSA-N 383.408 0.948 0 40 GCAB Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)o1 95957633 RIFSRUOLSXVIRF-MRXNPFEDSA-N 377.489 0.738 0 40 GCAB CN1CCO[C@H](CNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 96005435 JZQDCJOXQVXCTE-CQSZACIVSA-N 387.889 0.414 0 40 GCAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097941 MCKHFMUBLFGEJG-YVEFUNNKSA-N 382.380 0.169 0 40 GCAB O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H]2CCc3c(Cl)cccc32)CC1 98033858 AVZJMNZRPBCWNE-HNNXBMFYSA-N 389.847 0.868 0 40 GCAB C[C@@H]1CCN(C[C@@H]2CC3(CCN(C(=O)c4ncnn4C)CC3)CO2)C[C@H]1O 585105096 XVJGXDOWKUQZPF-OWCLPIDISA-N 377.489 0.529 0 40 GCAB C[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1nc2c(cc1=O)CCC2 585150298 KBWKWSMPYABARV-AWEZNQCLSA-N 383.452 0.841 0 40 GCAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)c2csnn2)CC3)C1=O 1614947519 RFZIEGLSBJDFOO-SFHVURJKSA-N 391.497 0.861 0 40 GCAB CN1CC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 2651763 YHBIKXZSHIGHPN-UHFFFAOYSA-N 380.426 0.304 0 40 GCAB CC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@@H](OC(C)=O)[C@H](COC(C)=O)O1 4916573 CBOSURABYCYSHO-FRRDWIJNSA-N 377.357 0.567 0 40 GCAB CN(CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)C[C@H]1COc2ccccc2O1 12987017 DOBXDQHVJMASAW-HNNXBMFYSA-N 398.419 0.595 0 40 GCAB Cn1c(=O)c2c(nc(N3CCCC3=O)n2CC(=O)c2ccccc2)n(C)c1=O 13282019 BDGXRRONWCTICX-UHFFFAOYSA-N 381.392 0.443 0 40 GCAB O=C(CN1CCN(C(=O)CSc2ccc3c(c2)OCCO3)CC1)NC1CC1 14168296 HTDDCRBNFVZFAD-UHFFFAOYSA-N 391.493 0.973 0 40 GCAB CCOC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1 24064614 LMWSWFACXKGROX-UHFFFAOYSA-N 385.442 0.693 0 40 GCAB Cn1c(N(CCN2CCOCC2)C(=O)/C=C/c2ccccc2)cc(=O)n(C)c1=O 31769185 LXKAMCFFSQYYSD-CMDGGOBGSA-N 398.463 0.463 0 40 GCAB C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 37477403 GTKZQRGWFXNOEY-GFCCVEGCSA-N 384.433 0.072 0 40 GCAB COCCCNC(=O)CN1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 52527418 LICQJIQXQLWGAZ-QGZVFWFLSA-N 395.887 0.940 0 40 GCAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 62581329 YVRNYNYLXCJUIY-UHFFFAOYSA-N 396.447 0.668 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 95963654 MRABBFOHSBXANT-OAHLLOKOSA-N 384.502 0.997 0 40 GCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)C1 96005485 ULQDBEBZHFOVMT-OAHLLOKOSA-N 385.530 0.371 0 40 GCAB O=S(=O)(NC[C@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1)c1ccc(F)cc1 107430573 JFYNFUAEEHOVKD-SCAQPMJSSA-N 397.428 0.475 0 40 GCAB biogenic,in-vitro CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)CC1 217761785 QDGHENLORYEGDI-KBPBESRZSA-N 397.497 0.329 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742208 XEXOICOYOVAOBC-UHFFFAOYSA-N 396.451 0.406 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 298239104 KVHYZLPKTCJAKD-AWEZNQCLSA-N 385.486 0.201 0 40 GCAB CN1CCN(CC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 585111978 JRCMYTFKVVZEAL-LJQANCHMSA-N 383.496 0.909 0 40 GCAB COc1nn(C)cc1C(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@H]2C1 1888867097 OFLDVHPRKBMUIH-GHMZBOCLSA-N 376.392 0.580 0 40 GCAB COc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C)c3)C2)cc1C(N)=O 1889211588 OHEFWNGASWUBMJ-UHFFFAOYSA-N 377.422 0.949 0 40 GCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 2620048 QCNINFCBAIEQPR-UHFFFAOYSA-N 382.471 0.622 0 40 GCAB CCOC(=O)CN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148159 RDPJOBCYKLZZPH-UHFFFAOYSA-N 376.417 0.219 0 40 GCAB CCN(CC)c1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 5894613 KFWAWLZEFYTJOP-UHFFFAOYSA-N 388.424 0.552 0 40 GCAB COc1ccc(CC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 6424341 GHSYHLXUPVWUCR-CYBMUJFWSA-N 385.438 0.435 0 40 GCAB CCCc1cc(O)nc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 11443525 BCRMJNYRMNOSEL-QMMMGPOBSA-N 379.442 0.478 0 40 GCAB COCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 13150763 DBEQQHYTDYTOKO-UHFFFAOYSA-N 394.457 0.379 0 40 GCAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CN1C(=O)CSC1=O)CC3 13226784 FQFJIUOQSKCRME-UHFFFAOYSA-N 392.462 0.847 0 40 GCAB CS(=O)(=O)N(CCCC(=O)N1CCN(C=O)CC1)c1ccc2c(c1)OCO2 13596092 SXDYQFSQTJVHBB-UHFFFAOYSA-N 397.453 0.262 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16034087 XWNOOIIVMBMZTL-AUKZQPGHSA-N 384.436 0.471 0 40 GCAB CCCC(=O)N1CCc2nc(C3CCN(C(=O)COC)CC3)[nH]c(=O)c2C1 19501617 IKTUHJOIDIMVGE-UHFFFAOYSA-N 376.457 0.807 0 40 GCAB COCCn1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(C)CC1 19589846 GIHKSZWBBSFNJW-QGZVFWFLSA-N 376.461 0.674 0 40 GCAB Cc1cccc(N2CCN(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)CC2)c1 22818396 HFMONCXNZBUDSS-UHFFFAOYSA-N 399.539 0.540 0 40 GCAB CC1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 25765510 GKELVGWFUWJWAO-UHFFFAOYSA-N 384.433 0.420 0 40 GCAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1 32716589 NHQMVUALWNYTIP-UHFFFAOYSA-N 375.454 0.405 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)C1 40086224 DOEHNBMOSVORLM-INIZCTEOSA-N 396.513 0.719 0 40 GCAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 57463389 GWUULTWNCQTFRE-YOEHRIQHSA-N 383.489 0.982 0 40 GCAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 57948652 VVHTZEVRRAXSTM-LJQANCHMSA-N 393.509 0.705 0 40 GCAB O=C(c1cccnc1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 72324218 AZLWLNQCAGUFAV-HNNXBMFYSA-N 384.440 0.698 0 40 GCAB Cc1ccc(N(C)C2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)nn1 89652322 SVQFKUCAZSYRQQ-UHFFFAOYSA-N 384.440 0.743 0 40 GCAB COCCn1cnnc1S[C@@H](CN1C(=O)c2ccccc2C1=O)C(=O)OC 95447050 YUAGGRLHZBREAZ-ZDUSSCGKSA-N 390.421 0.854 0 40 GCAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO 95461416 BRUVMNDBELXQMG-WBMJQRKESA-N 395.481 0.733 0 40 GCAB Cc1ccc(F)c(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 95964620 GWBRIFZXVMVBQN-UHFFFAOYSA-N 378.385 0.881 0 40 GCAB O=C1NC2(CCN(C(=O)c3ccncc3)CC2)[C@@H]2CN(c3ncccn3)C[C@H]12 96143522 RAANPDOCGHOCNS-JKSUJKDBSA-N 378.436 0.729 0 40 GCAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)Nc1ccc2c(c1)OCO2 101186932 KPEKLRNGYMRJSF-SMDDNHRTSA-N 379.394 0.375 0 40 GCAB O=C1N[C@H](C(=O)O)CCC(=O)N2CCC[C@H]2C(=O)NCCOc2ccccc21 257310999 UHMQPDJIZMPOPO-KBPBESRZSA-N 389.408 0.149 0 40 GCAB CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)ccc1Br 521365995 JXVSWNSOSQTBIF-SNVBAGLBSA-N 392.227 0.778 0 40 GCAB Cn1cncc1[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC(N)=O)C2)CCC(=O)N1C1CC1 651428424 PDJBPWYMWMRARF-RFUYNDQBSA-N 387.484 0.976 0 40 GCAB O=C(NCCCn1ccnc1)[C@@H]1C[C@@]2(CO1)CN(Cc1nccs1)CCO2 1565541994 TZGSKARRIYOMRX-YJBOKZPZSA-N 391.497 0.906 0 40 GCAB CN1C[C@]23CN(C(=O)c4cc5ccccc5n4C)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565552291 YOBBZFSNGDOEPW-SKDZVZGDSA-N 375.450 0.806 0 40 GCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1ccc(C)nc1)CC2 1772595222 DFFBDIVALCENND-LJQANCHMSA-N 387.528 0.787 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5cnn(C)c5)C[C@@H]4C3)n1)CCC2 1888890049 BZXGEVCSICDUPC-KBPBESRZSA-N 388.497 0.764 0 40 GCAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 4574708 ZJNITTSQIVIBPV-WOSRLPQWSA-N 392.456 0.434 0 40 GCAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 8752770 ZXVQYQYUWMCBJV-NXEZZACHSA-N 375.472 0.684 0 40 GCAB CCC(CC)N(Cc1nc(N)nc(N(C)C)n1)Cc1nc(N)nc(N(C)C)n1 14199909 CPWZWMUVUPBZJV-UHFFFAOYSA-N 389.512 0.544 0 40 GCAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 28007963 UPCVNCOEHIXPNK-UHFFFAOYSA-N 381.498 0.764 0 40 GCAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 31772703 NNETVMJBOUTOEQ-AWEZNQCLSA-N 393.508 0.432 0 40 GCAB O=c1ccc(-c2ccccc2)nn1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 57085783 KXUIKZDKVVEMGF-KRWDZBQOSA-N 388.493 0.673 0 40 GCAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(N3CCCC3)nc2)cc1 58342631 WDZGNFWHBZSVKM-UHFFFAOYSA-N 381.436 0.827 0 40 GCAB Cc1noc(CN2CCN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CC2)n1 96005207 CHJYFHAYBGSIHX-UHFFFAOYSA-N 397.501 0.226 0 40 GCAB CCOC(=O)C1=C(C)NC(=O)[C@@H](C(N)=O)[C@H]1c1cc(OC)c(OC)c(OC)c1 100256783 YDEGCCMUNPUWPP-LSDHHAIUSA-N 392.408 0.864 0 40 GCAB O=C(O)[C@@H]1CC(c2ccc(Cl)cc2)=NN1/C=c1\sc2ncnn2c1=O 256028105 TXQYEWFAHOJVIZ-RMCZBGCRSA-N 375.797 0.825 0 40 GCAB O=C(NC[C@@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cc[nH]n1 257316088 VEBAESAEOVTTSR-IBGZPJMESA-N 383.408 0.525 0 40 GCAB CN1C[C@H](C(=O)N(C)Cc2ccccn2)O[C@@]2(CCN(C(=O)N(C)C)C2)C1 306131583 KJEXRCYFKJTYGC-APWZRJJASA-N 375.473 0.497 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(Cl)c1 408548763 UTCWOMDBJLWIND-UHFFFAOYSA-N 391.852 0.969 0 40 GCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCN[C@]1(C)CCS(=O)(=O)C1 575426690 YHQGYJLGIIRTFS-OAHLLOKOSA-N 390.483 0.138 0 40 GCAB O=C(O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 579442092 DHCLYDWSYFBZGO-CABCVRRESA-N 382.438 0.406 0 40 GCAB COc1ccc(COCC(=O)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cn1 585123561 ZSHPTJZQNGTUCM-SFHVURJKSA-N 376.413 0.538 0 40 GCAB CN1CCC(N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3cccc(F)c3)nn2)CC1 1549163042 ZTMHPWOXJVELPH-IPMKNSEASA-N 375.448 0.896 0 40 GCAB CN(C)C(=O)CN1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC=CCC1)CCO2 1565545696 LAWIMMSKMIODDJ-UXHICEINSA-N 379.501 0.751 0 40 GCAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)C4CC4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 2055795815 BREOFEAWPIOMNA-HNAYVOBHSA-N 397.541 0.765 0 40 GCAB COC(=O)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 5220133 RKLOBEPIRYZLLT-UHFFFAOYSA-N 391.331 0.942 0 40 GCAB C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)c1ccccc1 6371087 RRIWFRIBTNLIQR-LBPRGKRZSA-N 399.407 0.028 0 40 GCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 6909510 YYCRNOSZBNAMNI-UONOGXRCSA-N 392.415 0.497 0 40 GCAB Nc1c(C(=O)CSc2nnnn2Cc2ccccc2)c(=O)[nH]c(=O)n1C1CC1 8901996 REFANCIOHDDWBF-UHFFFAOYSA-N 399.436 0.464 0 40 GCAB Cn1c(CNC(=O)CCNC(=O)c2c[nH]c3ccccc23)cc(=O)n(C)c1=O 9051772 RRGLAAYSPNERRU-UHFFFAOYSA-N 383.408 0.002 0 40 GCAB Cn1cnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9096880 NWKCZSLNYPRENV-UHFFFAOYSA-N 397.482 0.567 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(OC)cc1OC 18077587 BNNBASGYHBCGJM-HZPDHXFCSA-N 391.424 0.742 0 40 GCAB CC(=O)N[C@@H]1CN(S(=O)(=O)c2cn(C(C)C)nc2C)C2(CCNCC2)C1 19704095 QZVPBTFPYJKILI-HNNXBMFYSA-N 383.518 0.794 0 40 GCAB Cc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22934809 LSOQSJXMTOIMGX-UHFFFAOYSA-N 382.530 0.515 0 40 GCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1cccc2nsnc12 72402846 MCULSXGMRATYSU-GFCCVEGCSA-N 393.469 0.331 0 40 GCAB CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 95461178 APIDIHCLSKKSHV-LBPRGKRZSA-N 393.444 0.338 0 40 GCAB CC(=O)O[C@@H]1C(=O)N(c2ccccc2F)C(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245229072 MOIDFPMKXOENDU-QKDCVEJESA-N 381.312 0.494 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)NC(=O)N[C@H]1C 245285892 ZHZZSPRGEDCAEZ-LTHLMHMASA-N 397.453 0.502 0 40 GCAB O=C(c1cc(-c2ccccc2)no1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 257235024 GWBMZYDKTODDPR-LMMKCTJWSA-N 387.436 0.610 0 40 GCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ncc[nH]3)[C@H](N(C)CCO)[C@H]2O)c1 257318580 VOOOOFMDXFIZAY-NCOADZHNSA-N 390.440 0.022 0 40 GCAB NCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)cc1 257334902 YHVAWNIQXBYRMR-GUDVDZBRSA-N 377.485 0.758 0 40 GCAB Cn1ccnc1CN1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645899 RGTQPRXNHNKSFS-SJORKVTESA-N 394.472 0.974 0 40 GCAB CC(C)CNC(=O)c1nnc2n1C[C@]1(CCN(C(=O)[C@H]3CCOC3)C1)OC2 1565553165 MPAYKZUURXSDSK-SCLBCKFNSA-N 377.445 0.202 0 40 GCAB CNC(=O)C1(Nc2ccnn2C)CCN(S(=O)(=O)c2ccccc2)CC1 2055747206 PQDQZHUJNPCBOZ-UHFFFAOYSA-N 377.470 0.802 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 3331467 XUCVKQIRDLXDTO-UHFFFAOYSA-N 383.451 0.172 0 40 GCAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC(N)=O 3373078 FOKSVMZSLGKLLK-VIFPVBQESA-N 385.332 0.816 0 40 GCAB OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O 3881959 HSTZMXCBWJGKHG-DPCQDSBSSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)C(=O)N(C(C)C)C1=O)CC2 5231008 JQCXYCCKUHELHQ-UHFFFAOYSA-N 389.408 0.788 0 40 GCAB COc1ccc(C(=O)O[C@H]2CCOC2=O)cc1S(=O)(=O)N1CCOCC1 6174561 ZRXNWWJMOYFDHX-ZDUSSCGKSA-N 385.394 0.188 0 40 GCAB CN(C)C1(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 6935202 IILUSCKGWXUWMY-CQSZACIVSA-N 398.529 0.533 0 40 GCAB CC(C)N1C[C@H](C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)CC1=O 19659366 RVHGCQBKSQWSQA-GFCCVEGCSA-N 378.454 0.098 0 40 GCAB CCS(=O)(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1 19711350 CTELXEDSKFCTBV-UHFFFAOYSA-N 381.502 0.952 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)o1 48278762 SEBOKELJFKKNSD-UHFFFAOYSA-N 376.398 0.436 0 40 GCAB COC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 57327857 BDLDEGJVENZYOT-ZDUSSCGKSA-N 381.454 0.294 0 40 GCAB NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 65565340 FPZVMGIIYZCPEX-GFCCVEGCSA-N 395.462 0.187 0 40 GCAB Cn1c(CNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(=O)n(C)c1=O 72311324 IGUSEAMXYVPROM-LLVKDONJSA-N 392.847 0.060 0 40 GCAB Cc1cc(CN2CCN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CC2)on1 96005109 BGVKVEDWTNBXTH-UHFFFAOYSA-N 396.513 0.831 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105554993 PELXGISQCWCKJG-OFQRWUPVSA-N 380.466 0.972 0 40 GCAB CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NC3CCOCC3)[C@H](O)[C@@H]2O)cc1 225502592 FAVNRBCWGRDFBB-BTPDRXCOSA-N 385.482 0.348 0 40 GCAB biogenic,in-vitro COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN3S(=O)(=O)N(C)C)nc21 257210927 BWTALWPZDMQORU-QGZVFWFLSA-N 397.501 0.438 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]2(CC[C@H](CN(C)C)O2)C1 306141033 VJJVLKPTQGMCGH-WBVHZDCISA-N 386.518 0.537 0 40 GCAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408591031 IMZJKTVJYPNLBO-UHFFFAOYSA-N 399.513 0.592 0 40 GCAB O=C(CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)C2)N1CCCC1 575404028 LIJYGRMBNFMTRW-HNNXBMFYSA-N 395.481 0.643 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C1CN(c2cc(-n3cncn3)ncn2)C1 575610248 UYJGWIDLSRUCIB-UHFFFAOYSA-N 379.380 0.539 0 40 GCAB CCN1CCN(C(=O)NC[C@](O)(c2ccsc2)c2ccco2)C(=O)C1=O 618255409 OXPPWQNYPMQFOL-KRWDZBQOSA-N 377.422 0.977 0 40 GCAB CS(=O)(=O)c1ccc(CN[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C3CC3)nn2)cc1 1549161353 KGRPBZYJRBKNJD-RCCFBDPRSA-N 392.481 0.477 0 40 GCAB Cc1ncnc(C(=O)N2CCOC[C@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)c1C 1565550716 DSRQXTCJNXIUOO-JXFKEZNVSA-N 399.451 0.741 0 40 GCAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)CCS(C)(=O)=O)C2 1565555004 NMBGWYIBCQCJMS-INIZCTEOSA-N 385.511 0.432 0 40 GCAB NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3286460 OWGXRHAVVLYDJC-UHFFFAOYSA-N 391.405 0.517 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCC(C)C)cc1 4569449 UHDRAKZKULURQR-AWEZNQCLSA-N 397.497 0.737 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1ccc(F)cc1 5039064 JWTZJMMWBLNVSW-UHFFFAOYSA-N 396.396 0.955 0 40 GCAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC[C@H]1CCCO1 5339837 ZGYOAVBZHOOXGG-CQSZACIVSA-N 381.454 0.769 0 40 GCAB Cn1c(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(=O)n(C)c1=O 10909041 XGAHGOXIAOXBOO-SFHVURJKSA-N 398.463 0.864 0 40 GCAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccccc4C(N)=O)CC3)ncnc21 12853813 DDMGNNRUTSMAHZ-UHFFFAOYSA-N 394.439 0.223 0 40 GCAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)C1=O 15858606 GTDCOHSTKDNWRI-UHFFFAOYSA-N 393.465 0.727 0 40 GCAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)N1CCc2ccccc21 21704431 MCGLQGIJLXDIJD-UHFFFAOYSA-N 385.405 0.649 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCO)n2CCCOc1ccccc1 23115414 QLVOWLZJVIORBN-UHFFFAOYSA-N 376.438 0.977 0 40 GCAB O=C1CCc2cc(S(=O)(=O)NCCN3CCCS3(=O)=O)c(F)cc2N1 60924690 AMADQNLIHODLER-UHFFFAOYSA-N 391.446 0.024 0 40 GCAB CCn1nc(C)c(S(=O)(=O)NCCn2c(O)nc3ncccc3c2=O)c1C 253537742 ZZFUJCOFVJWSGC-UHFFFAOYSA-N 392.441 0.309 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2)[C@@H](O)[C@@H]1O 257251485 JQYSPHPLZXKGLL-DTTOXWODSA-N 396.451 0.652 0 40 GCAB CN1CCN(c2ncc3c(n2)[C@]2(CCN(C(=O)c4ncccn4)C2)COC3)CC1 306134139 NEFKBNPGXQASLR-FQEVSTJZSA-N 395.467 0.333 0 40 GCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 575424038 JPKKXFJIIXJHSZ-RYUDHWBXSA-N 396.874 0.530 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)CC1 575611225 CTGATSQBKGLBKO-CQSZACIVSA-N 386.449 0.657 0 40 GCAB CN1C(=O)C(c2c(-c3ccc(C(=O)O)cc3)n(C)c(=O)n2C)C(=O)N(C)C1=O 604419770 YSYLLCSPNDZVOV-UHFFFAOYSA-N 386.364 0.223 0 40 GCAB COCCN1C(=O)C[C@H](CNC(=O)N2CCC[C@@H](O)C2)[C@H]1c1cnn(C)c1 665303673 NXTGVHVAMKFKPT-UNEWFSDZSA-N 379.461 0.122 0 40 GCAB O=C(CC1(n2cnnn2)CCOCC1)NC1CCC(O)(c2cccnc2)CC1 1118694551 VNMPKJFUJSOMAW-UHFFFAOYSA-N 386.456 0.911 0 40 GCAB Cn1cccc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)c1=O 1565554612 CHPWEWRFIGZDAY-YJBOKZPZSA-N 375.469 0.727 0 40 GCAB C[C@H]1CN(C(=O)CN2CCN(c3ccc(-n4cccn4)nn3)CC2)C[C@@H](C)O1 2086886922 DJZYNTUFYUWPIA-IYBDPMFKSA-N 385.472 0.420 0 40 GCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2SC1 2784992 DKRCWUMYQNGXNB-PELKAZGASA-N 390.343 0.811 0 40 GCAB Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccccc2Cl)n(C)c1=O 4943443 LFBSPUNRQPMBMB-UHFFFAOYSA-N 375.816 0.794 0 40 GCAB COC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@@]12C(=O)Nc1ccccc12 6756630 PJWZDPXFXHHBEE-HXUWFJFHSA-N 397.387 0.123 0 40 GCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC1CCN(C(=O)c2ccco2)CC1 11529959 FTOXOTFGKLMTHP-UHFFFAOYSA-N 397.439 0.880 0 40 GCAB C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)CN1Cc2ccccc2C1=O 12145879 CQNISPZXGQXGGG-AWEZNQCLSA-N 392.419 0.590 0 40 GCAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1F)c1nc(N)nc(N(C)C)n1 14160116 OAHYEYLFEAIECR-SECBINFHSA-N 398.420 0.242 0 40 GCAB C[C@H]1C[C@H]1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21976510 NFMICXAUKWYUJO-WCQYABFASA-N 386.408 0.329 0 40 GCAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Cn2nnc3ccccc3c2=O)C[C@@H](C)O1 48333381 FZJSJNZSIZXRJH-XHSDSOJGSA-N 385.468 0.892 0 40 GCAB COc1ccc(OCc2noc(CNC(=O)CSc3nnnn3C)n2)cc1 49027137 LEJZOQXERSITBT-UHFFFAOYSA-N 391.413 0.589 0 40 GCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CC(c2nc3ccccc3[nH]2)C1 56907582 PVDZHYCCJUHMAP-UHFFFAOYSA-N 376.438 0.831 0 40 GCAB CN(C)C(=O)[C@]12CCCN(S(=O)(=O)C3CC3)C[C@H]1CN(c1ncccn1)C2 96056118 LXCOGKNMRFRATC-KDOFPFPSSA-N 393.513 0.575 0 40 GCAB Cc1cccc(CN2CC[C@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)n1 96225698 BSFBHWXEHKTGSW-FQEVSTJZSA-N 387.484 0.559 0 40 GCAB Nc1nc2c(c(I)cn2[C@@H]2CC[C@H](CO)O2)c(=O)[nH]1 147313331 KJNOBXXCZQLWLF-VDTYLAMSSA-N 376.154 0.581 0 40 GCAB CC1CCN(C(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 158714712 LLWZMMFCCPRDMQ-UHFFFAOYSA-N 388.516 0.694 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3cccnn3)C2)cc1 225459147 VNDQBNMZCIAIMU-AWEZNQCLSA-N 392.437 0.573 0 40 GCAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 247796619 RSENDLJUDZWZDY-WRFANHODSA-N 383.452 0.919 0 40 GCAB Cc1ccc(OCC(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cc1 248036093 SIPVXIBOJFIJHN-HNNXBMFYSA-N 378.454 0.703 0 40 GCAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2c1OC(F)(F)O2 582832853 NRZPHNWYZHIZFE-NSHDSACASA-N 376.381 0.743 0 40 GCAB Cn1cc(C(=O)N2C[C@H]3OC[C@H](C(=O)N4CCCCO4)[C@H]3C2)c(C(F)F)n1 585108412 HSPWBNJHGPWFHO-KGYLQXTDSA-N 384.383 0.999 0 40 GCAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 585290748 WPINYHYBPMHJAG-ARAPHVRHSA-N 389.500 0.222 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565549382 VXKMGSNPRJVCPI-MGHVZTOWSA-N 385.464 0.938 0 40 GCAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)CS(C)(=O)=O)CC2)c1 2055750982 UKYFADBVTPLVEE-UHFFFAOYSA-N 397.497 0.601 0 40 GCAB COC1(C)CCN(C(=O)[C@@H]2C[C@]3(CO2)CN(Cc2cnc[nH]2)CCO3)CC1 2056226468 RXBWCMJYAMVNNM-QFBILLFUSA-N 378.473 0.797 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 3370936 ZWCXYXBIPWWVQT-UHFFFAOYSA-N 385.442 0.718 0 40 GCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 4940955 UZIMYSKYSDXQLZ-UHFFFAOYSA-N 383.408 0.434 0 40 GCAB CCS[C@@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 4963018 SZULVJAZHGQZQY-OWYFMNJBSA-N 391.442 0.396 0 40 GCAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCC(=O)N3C(=O)[C@H]3CCC(=O)N3)ccc12 5792750 SHGOIFDEBDGGCG-ZIAGYGMSSA-N 397.387 0.836 0 40 GCAB C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCO2 6657732 HDRDQTBTMWTCGJ-LLVKDONJSA-N 399.407 0.082 0 40 GCAB Cc1cccc(OC[C@@H](O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)c1 12232436 GGFOSYRRIGHWPZ-NSHDSACASA-N 376.438 0.471 0 40 GCAB O=C(NCCN1CCOCC1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13552667 LMHHRVQEYHWOPW-LBPRGKRZSA-N 393.879 0.671 0 40 GCAB O=C1N[C@]2(CCc3ccccc31)CCN(C(=O)CCCN1C(=O)CNC1=O)C2 19375189 PNXCFWXAWAHAEL-HXUWFJFHSA-N 384.436 0.666 0 40 GCAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 27460589 LYYSYGKNHBVJNK-UHFFFAOYSA-N 380.807 0.674 0 40 GCAB COC(=O)CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 32641518 MEPJSOBOTXWFPZ-AWEZNQCLSA-N 399.465 0.825 0 40 GCAB CCN1C[C@@H](C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1=O 58203550 WBAPJUSHUOPDMD-KRWDZBQOSA-N 375.469 0.882 0 40 GCAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NS(C)(=O)=O)cc2)[C@H]1CO 72321494 VNMJAHBJXXHVNM-RHSMWYFYSA-N 394.453 0.253 0 40 GCAB biogenic,in-vitro Cn1cc(CN2CCCn3c(nc(CNC(=O)c4cnn(C)c4)cc3=O)C2)cn1 96059656 CHLPSVVQQHCQND-UHFFFAOYSA-N 396.455 0.046 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2nc3ccccc3o2)CC1 96122614 CDUHZVIRSJNLIB-CQSZACIVSA-N 378.454 0.900 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 109069793 FBDMDHVTNCZVKM-NEPJUHHUSA-N 392.510 0.838 0 40 GCAB COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1 223283935 BJWABIHRMKRULX-UHFFFAOYSA-N 381.391 0.865 0 40 GCAB NS(=O)(=O)c1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1 553738551 AOBZNLSLJUUZTL-UHFFFAOYSA-N 397.478 0.319 0 40 GCAB Cc1c(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)cnn1C 566714416 HILSYETVKFTYSB-MLGOLLRUSA-N 378.458 0.245 0 40 GCAB CNS(=O)(=O)NCC(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 567908365 MSRVYKIKNWYPFI-GFCCVEGCSA-N 387.531 0.010 0 40 GCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1 1142642179 WEWZEYXKSGEDAM-PASDCYSWSA-N 376.432 0.954 0 40 GCAB COC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1SCc1ccco1 4259334 DKHOYKYOWVNHQV-OIMNJJJWSA-N 382.398 0.455 0 40 GCAB biogenic,in-vitro O=C(O[C@@H]1CCOC1=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 4950674 ZMEHKQXKDJGOFX-CYBMUJFWSA-N 378.406 0.706 0 40 GCAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 9547035 ZWIVQCAUNNSECN-CQSZACIVSA-N 383.470 0.808 0 40 GCAB O=C(Cc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444802 BBJUIIGCXBVZKQ-UHFFFAOYSA-N 388.493 0.892 0 40 GCAB COC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13721145 AJJQODUZNPBASG-CQSZACIVSA-N 390.889 0.864 0 40 GCAB CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)CC1 22923846 CZQDYFMLLPPMLJ-UHFFFAOYSA-N 376.505 0.617 0 40 GCAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40079706 JBLTYRKOLSLPOV-MSOLQXFVSA-N 395.525 0.818 0 40 GCAB CCn1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c2ccccc21 48374063 CQMJYOYIFLKNAG-UHFFFAOYSA-N 398.463 0.804 0 40 GCAB CN(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 58168140 YXOABEVEBUKTDD-OAHLLOKOSA-N 390.469 0.732 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)CC1 225555002 PKMIVMCWZQAICM-AWEZNQCLSA-N 383.474 0.234 0 40 GCAB CN1CCN(c2ncc3c(n2)COC32CCN(S(=O)(=O)C3CC3)CC2)CC1 306134301 NILPQKFEOKKFPR-UHFFFAOYSA-N 393.513 0.542 0 40 GCAB COc1ncccc1CN1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 306135266 OMBBUBWYYWGGGV-JKSUJKDBSA-N 383.452 0.838 0 40 GCAB CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OC[C@H]1C(=O)N1CCCCO1 575403908 KUCRIDYTLTZMIV-INIZCTEOSA-N 375.425 0.471 0 40 GCAB COc1ccc(S(=O)(=O)N(CCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 575424893 CCQNYYVZSIBEGG-GFCCVEGCSA-N 391.467 0.738 0 40 GCAB C[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)C1 595107549 XLULFSWAEDEZOM-WANDFBQESA-N 377.466 0.717 0 40 GCAB O=C(N1CCc2c(cnn2-c2ccccc2)C1)C1(n2cnnn2)CCOCC1 666417435 HGXBJJLDFQZXTC-UHFFFAOYSA-N 379.424 0.949 0 40 GCAB COc1ccc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)c(OC)c1 2055714926 ZSFSHAIVQDDGCP-YLQAJVPDSA-N 398.481 0.730 0 40 GCAB O=C(COc1ncnc2c1cnn2-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 6876283 JTFDNLQPQZNWLH-LBPRGKRZSA-N 387.421 0.498 0 40 GCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1 12088693 VVBAIJYMBXKBSR-GJZGRUSLSA-N 378.458 0.020 0 40 GCAB C[C@H]1CN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 12345052 PXVRUZJKUSGBMG-HOTGVXAUSA-N 381.498 0.629 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 32911083 LBVZKXGNXRFPSE-LBPRGKRZSA-N 385.442 0.359 0 40 GCAB O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCS(=O)(=O)C1 36395003 ZHZYODWTHJDYKT-JTQLQIEISA-N 388.829 0.144 0 40 GCAB COC(=O)c1cnc(N2CCOC(C)(C)C2)c(S(=O)(=O)N2CCOCC2)c1 95356562 OFOAFEFINBDDIL-UHFFFAOYSA-N 399.469 0.504 0 40 GCAB Cc1n[nH]c(SCCNC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)n1 225975172 HOHUWZJUABLDSZ-UHFFFAOYSA-N 383.499 0.960 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C 257199861 ABBPLIMIDYXVFS-LBPRGKRZSA-N 375.395 0.878 0 40 GCAB CN(C)S(=O)(=O)CCNC(=O)c1c(-n2cnnn2)sc2c1CCCC2 524732671 HRJWCOHZSGYLFQ-UHFFFAOYSA-N 384.487 0.224 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1C 575423053 NQCURINOHHBOEG-ZDUSSCGKSA-N 375.468 0.874 0 40 GCAB CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C[C@H](C(N)=O)C1 585289175 NIMWCNFTNOLPAC-QXCFHYIPSA-N 375.469 0.613 0 40 GCAB Cc1ccc(-n2cccn2)cc1NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 626534293 FBJBFBYAPVKXCZ-OAHLLOKOSA-N 393.469 0.963 0 40 GCAB Cn1cc(N2CCC(NC(=O)C3CCC(F)(F)CC3)CC2)c(=O)n(C)c1=O 1888961055 HQEKNSRGXJOJEM-UHFFFAOYSA-N 384.427 0.995 0 40 GCAB CCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 1864008 KHUPNAAVWGLYFK-AWEZNQCLSA-N 386.286 0.414 0 40 GCAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cn1 10666275 DWUOZBLHJZEVRR-UHFFFAOYSA-N 380.426 0.842 0 40 GCAB CCN1C(=O)[C@@H]2CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCN2C1=O 79024839 RZNPXCWSTKODMT-ZDUSSCGKSA-N 391.424 0.750 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1C(N)=O 257294089 QSJGXTMHQMFXIL-ZDUSSCGKSA-N 397.357 0.600 0 40 GCAB CC[C@@H](C)CNC(=O)c1cn2c(nc1=O)[C@]1(CCN(S(C)(=O)=O)C1)CC2 306132630 LOBJEYVVGQLBRA-PXAZEXFGSA-N 382.486 0.326 0 40 GCAB O=C(CN1CCCN(S(=O)(=O)C2CC2)CC1)Nc1ccc2c(c1)OCCO2 374835651 XJLVHCADNWZZOS-UHFFFAOYSA-N 395.481 0.896 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1 408601384 GFUHPWWKJFQMOV-CQSZACIVSA-N 385.486 0.201 0 40 GCAB O=C(C(=O)N1CCOCC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007670 UBPMREBLQNKARC-UHFFFAOYSA-N 385.420 0.542 0 40 GCAB COCCn1c(C)c(C)n2c3c(=O)n([C@H](C)C(=O)OC)c(=O)n(C)c3nc12 4314368 LCLFBARLQRKWJO-LLVKDONJSA-N 377.401 0.147 0 40 GCAB CCOc1cc(CNCCNCCO)cc(Br)c1OCC(N)=O 19691207 QDKRPXBWXYPKKO-UHFFFAOYSA-N 390.278 0.383 0 40 GCAB COc1ccc(Cl)cc1NC(=O)CNC(=O)N[C@@H]1CCS(=O)(=O)C1 36366258 ABVHMVJAIVOYMH-SNVBAGLBSA-N 375.834 0.773 0 40 GCAB CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(Br)o2)CC1 38680436 XSJHVPSSNLKBCH-UHFFFAOYSA-N 380.264 0.349 0 40 GCAB COC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 40309631 FERSINRMFVCOPR-NSHDSACASA-N 395.437 0.391 0 40 GCAB biogenic CCOc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)cc1 70999713 YZGXLXYQHRRFNJ-UHFFFAOYSA-N 388.409 0.961 0 40 GCAB Cn1nc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)ccc1=O 77196509 QINWJSBBTCSDGX-UHFFFAOYSA-N 395.466 0.339 0 40 GCAB CN1CCN(CCCNc2c(N3CCN(c4ccccc4)CC3)c(=O)c2=O)CC1 101694148 XHUNTKNXGJJVFT-UHFFFAOYSA-N 397.523 0.659 0 40 GCAB Nc1nc(=O)c2ncn([C@@H]3CO[C@@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@H]3O)c2[nH]1 137354440 FJQZMKOLPNCYSV-KRNVLHRQSA-N 385.380 0.117 0 40 GCAB Nc1ncc(-c2cccc([C@@H]3CN(C(=O)CCN4CCOCC4)CCO3)n2)cn1 257280252 OKBZOMWRYNUSBA-SFHVURJKSA-N 398.467 0.743 0 40 GCAB CCCNC(=O)c1nnc2n1CC1(CCN(Cc3cnn(C)c3)CC1)COC2 306125007 CELDJVYKPRIYPV-UHFFFAOYSA-N 387.488 0.964 0 40 GCAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N[C@@H]4CCS(=O)(=O)C4)C3)ncn2)n1 390826571 NJTICNIHBNXXKT-CQSZACIVSA-N 390.469 0.019 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2F)CC1 585148438 WKTDJKDBSOLTLT-UHFFFAOYSA-N 386.449 0.399 0 40 GCAB CC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 585271051 GDKQLKGIOSJGQH-ZWNOBZJWSA-N 395.437 0.530 0 40 GCAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)C3CC3)C[C@@H]1CO2 1772594836 ZILVJJYYCUWAIN-OAHLLOKOSA-N 396.451 0.736 0 40 GCAB CCOC(=O)c1ccc(-n2nc(C(=O)NCCOC)/c(=N/C(C)=O)s2)cc1 3766947 VKUFNTMROQBDQX-MNDPQUGUSA-N 392.437 0.934 0 40 GCAB N=C1Cc2ncnn2C(N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)=NN1 4478225 FHYVIJLZNSJXIS-CQSZACIVSA-N 378.318 0.881 0 40 GCAB O=C(OCC(=O)N1CCN(C(=O)COC(=O)c2ccco2)CC1)c1ccco1 5856335 TUNFVHDXHMASNI-UHFFFAOYSA-N 390.348 0.557 0 40 GCAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc3c(c2)OCCO3)c(=O)[nH]c1=O 6625704 VDEXNDCDEJCCAM-UHFFFAOYSA-N 388.424 0.615 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1OC(F)F)c(=O)n2C 12628721 FEOLZSQMYDXICS-UHFFFAOYSA-N 393.350 0.352 0 40 GCAB CN(CCc1ccccn1)C(=O)[C@H]1CN(Cc2cnc(N(C)C)nc2)CCO1 19747326 WBWSCRFJJVEMFB-GOSISDBHSA-N 384.484 0.840 0 40 GCAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 24606332 JGQKROHZMGQEST-UHFFFAOYSA-N 385.511 0.873 0 40 GCAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC[C@H]3OC(=O)O[C@@H]3C)=C([C@H]3CCCO3)S[C@H]12 26892076 MVHHCXACTDXCAC-VCSZRNDBSA-N 399.421 0.756 0 40 GCAB COc1ccc(NC(=O)Cc2c(Cl)nc3n(C)c(=O)n(C)c(=O)n23)cc1 28527254 OXEYNNHHWOTJNA-UHFFFAOYSA-N 377.788 0.575 0 40 GCAB CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 32916386 GOEYVBAGPRSOPU-UHFFFAOYSA-N 376.378 0.803 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@]2(CNC(=O)C2)C1 96143291 FZWLJMNPDRDURP-INIZCTEOSA-N 385.873 0.699 0 40 GCAB COC(=O)[C@H]1C2[C@H]3[C@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C1(COC(C)=O)C34COC(C)=O 101045052 UGZGXXPIUYOPTJ-VKYIRXIPSA-N 392.404 0.429 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCCn1c(=O)[nH]c2ccsc2c1=O 225805210 KXJGTZKHEGHCOF-UHFFFAOYSA-N 397.416 0.278 0 40 GCAB CCN1CCN(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)C(=O)C1=O 239611817 FFCLAPWSLBEKMN-AWEZNQCLSA-N 380.470 0.770 0 40 GCAB Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)c3csc(C(=O)O)c3)CCO2)n1 564920125 ZGCFRYDHJFOVJV-LLVKDONJSA-N 386.455 0.744 0 40 GCAB CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)CC1 585281486 JWTFCURLCYFXOX-NRFANRHFSA-N 389.496 0.972 0 40 GCAB CCOC(=O)c1ncn(C2CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC2)c1N 594524885 MPSFKDYYXZVNLE-JTQLQIEISA-N 392.382 0.878 0 40 GCAB CCN1C(=O)CO[C@H](C(=O)N[C@H](CO)c2ccsc2)[C@H]1c1cnn(C)c1 613592392 NGRVDODOYVOXJZ-BMFZPTHFSA-N 378.454 0.620 0 40 GCAB CC(C)CCc1nnc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)s1 626605387 QCHWSMVKLAMENQ-NSHDSACASA-N 391.519 0.909 0 40 GCAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(S(C)(=O)=O)CC1 1772595609 HNYRDVVKNYVWJE-QGZVFWFLSA-N 392.525 0.397 0 40 GCAB O=S(=O)(N1CCOCC1)N1CCC(COc2cc3c(nn2)CCC3)CC1 1775967529 VMXCFSBSAZHSGY-UHFFFAOYSA-N 382.486 0.633 0 40 GCAB CCn1c(=O)n(CC(=O)NCCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6760407 LVQCCNKSKLJWNU-UHFFFAOYSA-N 395.481 0.595 0 40 GCAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)NCc1ccc(F)cc1 12797236 VRKSBVLZNJQOGJ-FMKPAKJESA-N 383.445 0.849 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 12879941 BIDFVMUNIBOTQV-UHFFFAOYSA-N 394.497 0.911 0 40 GCAB O=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1cccnc1 15082398 ZWADIFSHJKQLQE-UHFFFAOYSA-N 375.776 0.523 0 40 GCAB O=C1N[C@@H]2[C@H](N1)NC(=O)N2CCC(=O)N1CCC(Oc2ccccc2F)CC1 19350118 XIHKNPBTLGYGON-CVEARBPZSA-N 391.403 0.576 0 40 GCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)Nc1cccc(Cl)c1 20464750 AFRGNPHXBKTDJN-FXUDXRNXSA-N 385.848 0.283 0 40 GCAB biogenic,in-vitro CS(=O)(=O)NCCCNC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 48161418 FEFUXOZQDWSIBJ-UHFFFAOYSA-N 398.485 0.149 0 40 GCAB O=C(NCCc1cccc(F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 48264047 LIEOSDRLGMIWRY-CQSZACIVSA-N 381.429 0.650 0 40 GCAB Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c(Cl)cc1F 95461694 DNIMHHSVFVWALH-JTQLQIEISA-N 399.897 0.981 0 40 GCAB CN(C(=O)[C@H]1CC(=O)N(C2CCOCC2)C1)C1CN(c2cc3c(nn2)CCC3)C1 585589978 FLWWGUQSDSSSLS-HNNXBMFYSA-N 399.495 0.640 0 40 GCAB Cc1nc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)[C@@](C)(O)CO3)cs1 2037849797 LPIXVSRFMZXRPI-GJZGRUSLSA-N 389.543 0.875 0 40 GCAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CS(C)(=O)=O)C1 2055751150 MWSPKCVQMHAFIB-SFHVURJKSA-N 397.497 0.267 0 40 GCAB CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2[S@@]1=O 1322847 AYTKEKBIWRHMGU-RXRJHIGISA-N 375.038 0.635 0 40 GCAB biogenic COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1n[nH]c(N)n1 9396696 LETLYDVOYLORQY-UHFFFAOYSA-N 386.459 0.377 0 40 GCAB CS(=O)(=O)c1ccc2nc(NC(=O)Cn3[nH]c(=O)ccc3=O)sc2c1 9464060 NPVOAJDTLVDLSL-UHFFFAOYSA-N 380.407 0.189 0 40 GCAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3ccc(=O)[nH]c3=O)n2)o1 12052733 HUVBPRXJIZKOCI-UHFFFAOYSA-N 389.393 0.528 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 12199680 DJACZRISLNNEDA-UHFFFAOYSA-N 395.437 0.803 0 40 GCAB COc1ccccc1C(=O)NCCNS(=O)(=O)c1cccc2nonc12 12390392 QJMAUFBESYJTHY-UHFFFAOYSA-N 376.394 0.940 0 40 GCAB Cc1nc2ncnn2c(C)c1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 12795848 MWZOUMPHKQILTP-UHFFFAOYSA-N 385.428 0.960 0 40 GCAB Cn1c(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc(O)cc1=O 16041794 RXNGTNAXCVPHHW-NEPJUHHUSA-N 388.449 0.386 0 40 GCAB biogenic O=C(CCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(N2CCCC2)c(F)c1 19293104 UTFOIQZCOLWHKE-LSDHHAIUSA-N 376.392 0.745 0 40 GCAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1N1CCN(CCO)CC1 22732826 RMDDVCRZSWFDPL-UHFFFAOYSA-N 386.452 0.832 0 40 GCAB COc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22829696 ZOLJTNRKXZXXJC-UHFFFAOYSA-N 398.529 0.215 0 40 GCAB CNC(=O)C1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 29165959 PTDGZRDMUZPYQC-LBPRGKRZSA-N 394.497 0.070 0 40 GCAB COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1OC 58304681 ZOYRVGNSMASOAX-CQSZACIVSA-N 377.441 0.760 0 40 GCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NC[C@@H]1CCCO1 61719740 DXELUGQLCRSRBV-ZDUSSCGKSA-N 391.815 0.982 0 40 GCAB C[C@H]1CCCN(C(=O)c2nnc3n2CC2(CCN(S(C)(=O)=O)CC2)OC3)C1 306140633 UZGUFBFKFWOBCR-ZDUSSCGKSA-N 397.501 0.475 0 40 GCAB Cn1cnc(S(=O)(=O)NCC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)c1 571512037 XDWOIBACLRNKOU-UHFFFAOYSA-N 376.438 0.478 0 40 GCAB CN(C)c1nc(CNS(=O)(=O)c2ccc3c(c2)CCO3)nc(N(C)C)n1 575608632 WJXMVQBVBFHJET-UHFFFAOYSA-N 378.458 0.417 0 40 GCAB CN1CCN(c2ncnc3c2CCN(C(=O)Cn2ccccc2=O)CC3)CC1 1565542546 NBNRDSAVANGGFG-UHFFFAOYSA-N 382.468 0.018 0 40 GCAB CCO[C@@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5732086 DQHZSEKAVUOAPQ-FZKCQIBNSA-N 376.358 0.108 0 40 GCAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)cc1OC 6800351 ORPPMOSOMPJEMT-UHFFFAOYSA-N 395.437 0.426 0 40 GCAB CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8254392 PVVIUQWTKSXPIV-ZACQAIPSSA-N 397.483 0.303 0 40 GCAB biogenic,in-vitro O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCCO2 9981852 RHCZHZJHICYGSC-OAHLLOKOSA-N 389.452 0.967 0 40 GCAB CCCCn1c(N)c(N(CCC)C(=O)Cn2c(C)csc2=O)c(=O)[nH]c1=O 13002594 UDEGWDACVJMIDK-UHFFFAOYSA-N 395.485 0.894 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(F)c(Cl)c1 13669149 RSOVIFLNVSOUIZ-UHFFFAOYSA-N 377.825 0.546 0 40 GCAB C[C@H](Sc1nnnn1C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 14915555 NZFRGVWKOXPLCF-LBPRGKRZSA-N 396.498 0.224 0 40 GCAB C[C@H](C(=O)OCC(=O)NC(=O)c1cccn1C)N1C(=O)c2ccccc2C1=O 15221232 APPMAGIUVLOAFD-LLVKDONJSA-N 383.360 0.509 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@@H](C(F)(F)F)C1 32841759 HJODHMLTWDMOLM-GHMZBOCLSA-N 395.403 0.953 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(CS(N)(=O)=O)cc2)c1 40040364 HBZMPFZYVOAKEL-UHFFFAOYSA-N 398.462 0.740 0 40 GCAB O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 42478772 WAXMABDOCGPCDE-QWHCGFSZSA-N 385.511 0.934 0 40 GCAB Cc1cc(C(=O)Nc2nc(C(=O)NCCSc3nncn3C)co2)no1 90582954 DIVDRIVVUJDNAK-UHFFFAOYSA-N 377.386 0.874 0 40 GCAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccncn4)CC3)[C@@H]1CN(C(C)=O)C2 96143762 MYSGSZJVADWRGI-OXJNMPFZSA-N 385.468 0.704 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc2ccccc2oc1=O 225795080 DAEPLYOOGQMHIS-UHFFFAOYSA-N 378.344 0.621 0 40 GCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 514288801 FBQFSHTXDPVFTN-RTBURBONSA-N 379.464 0.622 0 40 GCAB biogenic,in-vitro CS(=O)(=O)CCC(=O)NC[C@@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1 2055759438 ZDDPPHZYKLOBDG-LBPRGKRZSA-N 398.485 0.074 0 40 GCAB CSCC[C@@H](C(=O)NCCCC(=O)O)n1c(=O)[nH]c2ccccc2c1=O 2128802 HMRQAEWQNCYMRR-ZDUSSCGKSA-N 379.438 0.965 0 40 GCAB biogenic CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4303680 RHHNTCYTVQANIZ-QTMHVTGLSA-N 395.408 0.289 0 40 GCAB COCCN1C[C@@H](C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)CC1=O 12367358 XXCYVMFGKZMHGO-OLZOCXBDSA-N 377.445 0.059 0 40 GCAB Cc1c(C)c2ccc(OCC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2oc1=O 12894805 IIIFOWJXSLCDDL-KGLIPLIRSA-N 381.406 0.063 0 40 GCAB biogenic O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)OCC(=O)N1CCNC1=O 23073389 VAWINJNXRJNQMV-UHFFFAOYSA-N 381.694 0.616 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 24586297 WDARTDWNPXFPJI-UHFFFAOYSA-N 398.341 0.819 0 40 GCAB C[C@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO 35283195 JYXSRLHFMBYUGH-JTOPXKGCSA-N 392.423 0.829 0 40 GCAB in-vitro COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCO[C@H](C)C3)C2=O)cc1 36446977 CVQNNZJMPVZOEG-XIKOKIGWSA-N 376.413 0.214 0 40 GCAB CC(=O)N1CCc2ccc(NS(=O)(=O)CCN3C(=O)CCCC3=O)cc21 38678052 ZMFKYQNOGONNRZ-UHFFFAOYSA-N 379.438 0.876 0 40 GCAB O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC[C@H]1CCCO1 49421667 ZUVMYWYNXSBTBA-CYBMUJFWSA-N 377.422 0.371 0 40 GCAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC(C(N)=O)CC1 71335721 UKQVUMXDGUPAIW-OAHLLOKOSA-N 387.484 0.631 0 40 GCAB Cc1nc(-c2ccc(S(=O)(=O)NCCCN3CCNC(=O)C3)cc2)co1 95454398 MTBMFAZYQWVUIC-UHFFFAOYSA-N 378.454 0.750 0 40 GCAB CCS[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 96029135 YPNFVZQPWZMHIF-QRJUGERDSA-N 392.426 0.823 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206839391 JSTNSGBKJDILFA-AWEZNQCLSA-N 397.391 0.602 0 40 GCAB CCNS(=O)(=O)c1cc(C(=O)NCCSc2ncn[nH]2)ccc1OC 222912853 TXCRFTBHFBUEPR-UHFFFAOYSA-N 385.471 0.634 0 40 GCAB CN1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C[C@@H]1Cc1ccccc1 614605151 WFWOCVSQPRGWFK-SFHVURJKSA-N 384.484 0.954 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1889175220 IBJVDEQGEXBTPH-UHFFFAOYSA-N 395.471 0.625 0 40 GCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ncc3F)C[C@H]12 2055716054 USWTZOGKYUFJHM-XHVZSJERSA-N 375.397 0.386 0 40 GCAB O=C(NCc1ccco1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 4569560 ZLCLNZKKFCLQHV-GFCCVEGCSA-N 397.478 0.927 0 40 GCAB COc1ccc(NC(=O)CCNC(C)=O)cc1S(=O)(=O)N1CCOCC1 5861916 ASDLWPZSRFDRPW-UHFFFAOYSA-N 385.442 0.181 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(=O)n(C)c1=O 5944164 FZVXHVGQVYOIGZ-UHFFFAOYSA-N 387.726 0.638 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 7000660 KDKIOHVRJNBZHN-UHFFFAOYSA-N 397.453 0.862 0 40 GCAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(=O)N(C)C 7607821 HJKHIMOMFCVRQX-UHFFFAOYSA-N 396.513 0.820 0 40 GCAB COCCCn1c(C(=O)NCc2cccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11796842 XQXNUYAEIGFVJP-UHFFFAOYSA-N 385.424 0.400 0 40 GCAB C[C@H]1CN(C(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 13036526 YJTYJWIMOGPYOX-PHIMTYICSA-N 378.454 0.360 0 40 GCAB Cc1nnc(C)n1N1CN(CCN2CCOCC2)c2nc3ccccc3n2C1 13637788 MCGFNTQMOFTOSG-UHFFFAOYSA-N 382.472 0.950 0 40 GCAB COCCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228236 TVMOKQXSHPQECS-UHFFFAOYSA-N 385.486 0.185 0 40 GCAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCN(c2ncccn2)CC1 32759697 NIHBHJYJVRGUQR-KRWDZBQOSA-N 380.452 0.037 0 40 GCAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 40266563 KOVQCZPDQJFTBP-MRXNPFEDSA-N 394.497 0.766 0 40 GCAB O=c1cc2c(nn1CN1CCN([C@H]3CCS(=O)(=O)C3)CC1)CCCCC2 79495388 WFLVSRUSXDTIFM-INIZCTEOSA-N 380.514 0.274 0 40 GCAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCn1nnc2ccccc2c1=O 102129942 AGGCFJOBBMVMOR-CHWSQXEVSA-N 382.376 0.634 0 40 GCAB O=C1CCCN1Cc1cn(C2CN(C(=O)Cn3nnc4ccccc43)C2)nn1 225632128 WEMADTZXHBKEHJ-UHFFFAOYSA-N 380.412 0.229 0 40 GCAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)ncn1 248069223 AKZGKWNIBHUXOV-OAHLLOKOSA-N 375.473 0.777 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CC(N3CCc4ccccc4C3)C2)CC1 253473701 XKKMOCXGTIJJON-UHFFFAOYSA-N 377.510 0.927 0 40 GCAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 644443295 WUKXCICOHNFDTK-HNNXBMFYSA-N 391.394 0.954 0 40 GCAB CN1C(=O)C[C@H](C(=O)N2CCC(C)(N3CCOCC3)CC2)[C@H]1c1nccn1C 1615591316 SJMTTZWWVAUUDK-RDJZCZTQSA-N 389.500 0.653 0 40 GCAB Cc1nnc(N2CC(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)s1 1888888151 HGAUYTRNMQNEAT-UHFFFAOYSA-N 381.483 0.715 0 40 GCAB CCS[C@H]1[C@@H](OC(C)=O)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H]1OC(C)=O 5120797 STZCNEXTAMKTRZ-JKJDWNRSSA-N 392.426 0.823 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)c2cccc(OC)c2)c(=O)[nH]c1=O 5674437 OARMXJCFVFSLHP-UHFFFAOYSA-N 376.413 0.831 0 40 GCAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 6623330 BKYUEOXLGQDEJZ-UHFFFAOYSA-N 383.451 0.636 0 40 GCAB C/C=C/Cn1c(-n2nc(CC)cc2CC)nc2c1c(=O)n(CC(N)=O)c(=O)n2C 12519209 OROXWDKCPJPVFZ-VMPITWQZSA-N 399.455 0.269 0 40 GCAB C[C@@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)O 12761733 BPPIBGNYRRHLDE-NOZJJQNGSA-N 390.845 0.688 0 40 GCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O 19526967 YFMJFFRMSZRANS-GJZGRUSLSA-N 385.468 0.566 0 40 GCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1C 19819003 SGPAEVPGFAQZTB-LLVKDONJSA-N 385.467 0.730 0 40 GCAB CCc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 20568030 NWLOZFSCSYFQOY-UHFFFAOYSA-N 383.514 0.854 0 40 GCAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O)C(=O)O 101273581 DHBQQLWKZUFZDM-NEPJUHHUSA-N 380.378 0.339 0 40 GCAB Cc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O 225501060 HKWIGMSQFLRXIY-OPNNQBFTSA-N 384.440 0.845 0 40 GCAB biogenic,in-vitro Cc1cccc(C)c1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O 408628342 XDMVYNSCRCNFFB-UHFFFAOYSA-N 383.514 0.908 0 40 GCAB O=c1cc2c(nn1CCNS(=O)(=O)c1ccc3c(c1)OCCCO3)CCC2 575619910 NCAJMQNFMLFJIL-UHFFFAOYSA-N 391.449 0.872 0 40 GCAB COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1OCCN1CCOCC1 585272948 NPYYBRLDPJBIPN-ROUUACIJSA-N 379.501 0.513 0 40 GCAB NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)C1 621034683 NTHPYSJKZFTRFC-HUUCEWRRSA-N 382.486 0.317 0 40 GCAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243136 LSSKZRQQQUELRW-HNNXBMFYSA-N 379.413 0.731 0 40 GCAB CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(OCC)cc1-n1cnnn1 1325357 OFVRNXKUOKRVPX-GFCCVEGCSA-N 397.457 0.917 0 40 GCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1CCc1ccccc1 4314139 QKOOTOVZVAFCLZ-UHFFFAOYSA-N 380.408 0.186 0 40 GCAB CC1(C)O[C@@H]2[C@H](O[C@@H]3[C@H](CN(CCO)CCO)O[C@H](c4ccccc4)O[C@@H]23)O1 4777764 JPIUOZKQJVBYHJ-ZOVJDJALSA-N 395.452 0.632 0 40 GCAB C[C@@H](Cc1ccccc1)N(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C 5115855 PDTADBTVZXKSJM-AWEZNQCLSA-N 384.484 0.946 0 40 GCAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)cc1C 16692225 YPYAOVNFLBRAPU-UHFFFAOYSA-N 399.513 0.463 0 40 GCAB CNC(=O)NC(=O)[C@H](C)OC(=O)CCNC(=O)CCC(=O)c1ccccc1 16699198 XBYDKBBYFQVBHL-LBPRGKRZSA-N 377.397 0.543 0 40 GCAB CCCn1c(N)c(C(=O)CSc2nnnn2C2CCCC2)c(=O)n(C)c1=O 21738983 SQCQZHPIRUPIPW-UHFFFAOYSA-N 393.473 0.616 0 40 GCAB COCCNC(=O)CNC(=O)CCn1c(-c2ccc(OC)cc2)n[nH]c1=S 22697041 DLYUBTOIFCIERS-UHFFFAOYSA-N 393.469 0.885 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)=O)cc1OC 25020794 KLGQBPORTBSQRU-ZDUSSCGKSA-N 378.381 0.167 0 40 GCAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 27309321 LBWBAUBXSPBUQQ-INIZCTEOSA-N 398.510 0.732 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 36390982 OJUVAHKERGQBBE-GFCCVEGCSA-N 384.433 0.861 0 40 GCAB Cn1c(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)nc2c1c(=O)[nH]c(=O)n2C 67903797 JWTMZYJQCGMKFX-ZDUSSCGKSA-N 398.423 0.690 0 40 GCAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C(=O)c2ccno2)C1 96244570 YKANEMRBYLJVQE-LJQANCHMSA-N 385.424 0.924 0 40 GCAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 101486766 VWGAURLPXKOXOZ-FQUUOJAGSA-N 380.378 0.104 0 40 GCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 514289146 VVORJFGQMDGTAQ-XGXHKWSGSA-N 398.525 0.419 0 40 GCAB biogenic,in-vitro CCOC(=O)c1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1 541906204 DRXCZQFYVMOOHN-UHFFFAOYSA-N 381.414 0.951 0 40 GCAB CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)CC1 585290962 YLLCDFHIAANCPD-FPOVZHCZSA-N 389.496 0.108 0 40 GCAB O=C1CN(CCNC(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)CCN1 637034964 RSOVNFXQERHXGU-UHFFFAOYSA-N 384.484 0.427 0 40 GCAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 661153376 MLIGHDFMJTYPBB-XJNFMUPTSA-N 389.460 0.902 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccoc2)CC1 2055745836 GTEWKUZQKKKICD-UHFFFAOYSA-N 375.429 0.285 0 40 GCAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)CS(C)(=O)=O)CC1 2055754614 JAMPTCYACHSEHD-UHFFFAOYSA-N 397.497 0.267 0 40 GCAB Cc1cc(OCC(=O)NCC(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2114996 AJQFKLQQVFZXOW-UHFFFAOYSA-N 388.376 0.286 0 40 GCAB biogenic Cc1nn(C)cc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2732343 YXBWIQFUEWFVCW-AWEZNQCLSA-N 394.501 0.488 0 40 GCAB C[C@H](OC(=O)C1=COCCO1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3554971 UNJNGIZPNPYWBV-QMMMGPOBSA-N 388.298 0.979 0 40 GCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1 4727363 XXPQPLALOMRYEG-GFCCVEGCSA-N 395.462 0.738 0 40 GCAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 9550035 VULCLFDLJQVUHP-GOSISDBHSA-N 377.397 0.330 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@]12COc1ccccc1C(=O)N2 12123677 NPRRADBRNPSTGC-JLTOFOAXSA-N 397.435 0.142 0 40 GCAB Cc1c(C)c2ccc(OCC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2oc1=O 12894821 IIIFOWJXSLCDDL-ZIAGYGMSSA-N 381.406 0.063 0 40 GCAB biogenic CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1 14077461 QNGANZQQGPEFDE-LBPRGKRZSA-N 378.447 0.140 0 40 GCAB COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@H](C)O 14113933 RQVWBADQFBHKTB-SWLSCSKDSA-N 384.454 0.432 0 40 GCAB CCN1CCN([C@H](CNC(=O)C(=O)NCc2cccnc2)c2cccnc2)CC1 22457168 JSEGDJVIGALRCF-LJQANCHMSA-N 396.495 0.588 0 40 GCAB CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 23077930 BFMCVMBRCHFVEQ-UHFFFAOYSA-N 381.506 0.159 0 40 GCAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 29883613 JFIULJVEFYWWJC-INIZCTEOSA-N 377.445 0.589 0 40 GCAB C[C@H](NC(=O)CCN1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 32879834 ZBEVZQGZOQIYGV-SFHVURJKSA-N 388.512 0.730 0 40 GCAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 32896025 YVBRIHCGGSGZDD-TXEJJXNPSA-N 397.453 0.705 0 40 GCAB CO[C@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@@H](NC(=N)N[N+](=O)[O-])[C@H]1OS 50446512 CSBCQUWSSICCAO-OFTGVCEQSA-N 386.386 0.102 0 40 GCAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1cnn(-c2ccccc2)n1 71892627 REDQGOLZWDGWPG-IAGOWNOFSA-N 389.481 0.649 0 40 GCAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2)C[C@]12Cc1ccccc1C(=O)N2 72334492 CFWQFAIQINSGTQ-PNLZDCPESA-N 398.507 0.836 0 40 GCAB CC[C@H](CO)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 95443522 WUCYBWGNSSAMNF-KHYOSLBOSA-N 380.489 0.402 0 40 GCAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1OC(C)=O 95868310 JSGSXKCPBJLDNJ-NNIGNNQHSA-N 395.408 0.289 0 40 GCAB Cn1cc(C(=O)NC2CCN(c3cnn(C)c(=O)c3Br)CC2)cn1 95958877 RUPSYRSUERUVPM-UHFFFAOYSA-N 395.261 0.675 0 40 GCAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 96000277 SCPGDFBPRICEEQ-MRXNPFEDSA-N 393.509 0.495 0 40 GCAB Cc1nc(CN2CC[C@@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)cs1 96225693 YPLSTQWMXPXZAZ-GOSISDBHSA-N 393.513 0.621 0 40 GCAB COCc1cn(C[C@H]2C[C@@H](NCc3cccc4c3OCO4)[C@H](O)[C@@H]2O)nn1 225501675 PVWLPWQJQFGQHE-WNOSKKOXSA-N 376.413 0.053 0 40 GCAB biogenic,in-vitro CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@H](OC(C)=O)[C@@H]1OC(C)=O 247952448 RHHNTCYTVQANIZ-ICBNADEASA-N 395.408 0.289 0 40 GCAB biogenic Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)no1 408655498 DEUSILYWHGEWAM-DPDCMNJDSA-N 375.381 0.886 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575421369 PJISQFJRSMJWFG-UONOGXRCSA-N 391.467 0.043 0 40 GCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1cccnc1)CC2 1772595426 VLMJKQAOYWXVGX-QGZVFWFLSA-N 387.484 0.119 0 40 GCAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1 4056826 KXQMKHZXFUPISW-UHFFFAOYSA-N 398.872 0.844 0 40 GCAB aggregator COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)OC)c1=O)COC(C)(C)C3 6760591 JXTJFQRPAJMSRR-UHFFFAOYSA-N 396.421 0.422 0 40 GCAB CCOCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11997434 SVVNIUHIVCNATC-UHFFFAOYSA-N 376.456 0.458 0 40 GCAB COc1ccc2cc(C)c3nn(CC(=O)N4CCC(C(N)=O)CC4)c(=O)n3c2c1 12181892 IGDHWPKYTZVUOJ-UHFFFAOYSA-N 397.435 0.690 0 40 GCAB Cc1oc([C@H](O)[C@H](O)[C@@H](O)CO)cc1C(=O)OCC(=O)Nc1ccc(F)cc1 13148257 DXQVUTYCTMFMLM-XKQJLSEDSA-N 397.355 0.270 0 40 GCAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(NN1CCN(C)CC1)C(F)(F)F 19168516 QXPWDHNTAKXOHI-MRXNPFEDSA-N 388.390 0.990 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC[C@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19705938 UHQYZAFTVFJJGW-HNNXBMFYSA-N 394.497 0.477 0 40 GCAB Cc1nc(SCC(=O)O[C@@H](C)C(=O)N2CCNC2=O)c(C(N)=O)c(C)c1C 20974438 GEDVOJVPMOVDPP-NSHDSACASA-N 394.453 0.681 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCNC3=O)CC2)c1 34868191 DCLLTRDQYIXCGK-HNNXBMFYSA-N 394.497 0.550 0 40 GCAB O=C(Cn1nc2c(c1NC(=O)c1cnccn1)CSC2)NC[C@@H]1CCCO1 35596860 IBJBPJBEMBBIIM-NSHDSACASA-N 388.453 0.967 0 40 GCAB COC(=O)C1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)CC1 44914703 RLMHMSCJSQIHKL-INIZCTEOSA-N 396.465 0.934 0 40 GCAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 244933181 CFLCBBJLVSZYTQ-BMFZPTHFSA-N 386.445 0.947 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F 253404631 RFHQGYLIHZZOFB-UHFFFAOYSA-N 385.417 0.929 0 40 GCAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3COC3)CCN21 514289287 KVMQXYOGGMKWJL-LPHOPBHVSA-N 379.888 0.932 0 40 GCAB biogenic,in-vitro CN1C(=O)CCC[C@H]2N(C(=O)/C=C/c3cnn(C)c3)C[C@H](O)[C@H](O)C[C@@]21C 585289823 KHOVOLZLKKWPOB-IPPHNGGJSA-N 376.457 0.157 0 40 GCAB Cc1nc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)sc1C 610930594 HQLHBJHZNYHPLL-UHFFFAOYSA-N 385.558 0.417 0 40 GCAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 1565552996 GGFJUPFGIGULRC-UHFFFAOYSA-N 390.893 0.437 0 40 GCAB O=C([C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCO1)N1CCOCC1 1889130586 XSLRGZYMBUDCHR-JTQLQIEISA-N 386.334 0.207 0 40 GCAB Cn1cc(-c2cncc(N3CCN(CC4CCS(=O)(=O)CC4)CC3)n2)cn1 2298188631 JBARRQHLGOPTNU-UHFFFAOYSA-N 390.513 0.824 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1cccc(F)c1 2332241990 GMMYQOHTBMHOMC-BZSNNMDCSA-N 376.432 0.252 0 40 GCAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 969172 OSJXLGYGTAWHGU-ZFWWWQNUSA-N 390.465 0.677 0 40 GCAB OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O 3881962 HSTZMXCBWJGKHG-GZBBIFHGSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro O=C(NCCOCCO)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941595 QUQDMANNJLKYOB-UHFFFAOYSA-N 376.438 0.683 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C3CCCCC3)[C@@H]2SC1 6745204 JRMINOVSGFETCQ-WBMJQRKESA-N 382.438 0.868 0 40 GCAB COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 8725053 OJTDJFHKDFVDIZ-UHFFFAOYSA-N 382.424 0.787 0 40 GCAB CC(=O)Oc1ccc2c(C)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc2c1 9481624 AIDCUUXIWPURDZ-LBPRGKRZSA-N 393.417 0.873 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)Cn3nnc4ccccc43)CC2)no1 12743080 MPGJLYWUJYFAAQ-UHFFFAOYSA-N 383.412 0.511 0 40 GCAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1=O 12748098 RGHQPLFBEYIFJD-RTBURBONSA-N 399.407 0.132 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@@H](C)NC(=O)c2ccccc2)NC(=O)N[C@@H]1C 12917244 QQVZFEKKCRBYKY-VXGBXAGGSA-N 389.408 0.867 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNC(=O)[C@H]3C)C2)cc1 13595626 CRGVOQGMPAWRKI-CABCVRRESA-N 379.482 0.743 0 40 GCAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3cnccn3)n2)cc1OC 15082098 RVOJBUURFIRJQU-UHFFFAOYSA-N 398.379 0.704 0 40 GCAB COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)cc1 20732558 BMNVVEXLYCZIBC-OAHLLOKOSA-N 382.420 0.989 0 40 GCAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 22056492 GOKGCZDZMSJICV-LSDHHAIUSA-N 390.527 0.611 0 40 GCAB COc1cc2ncn(CCC(=O)N3CCN(C(C)=O)CC3)c(=O)c2cc1OC 32096854 RWWBQMCMJWRGPC-UHFFFAOYSA-N 388.424 0.495 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1 58163331 RPUVORWKUOMPNI-UHFFFAOYSA-N 390.465 0.800 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(CCn2cccn2)CC1 62153600 HSHOPCMSOHRCNX-UHFFFAOYSA-N 380.452 0.828 0 40 GCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)CSCc3ccccc3)cc2)c1=O 77100171 RETSFDWVWHLMTL-UHFFFAOYSA-N 398.448 0.786 0 40 GCAB Cn1cc([C@@]2(C)CN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CCO2)cn1 96005502 VNLVVMFIRLWGRP-GOSISDBHSA-N 396.513 0.698 0 40 GCAB CN1[C@@H]2CN(C(=O)CCN3CCC(C(N)=O)CC3)C[C@@H]3CC[C@H]1[C@](C)(C2)[C@@H]3O 257225227 FFJCBDNQNGVFRI-NUSWNUBNSA-N 392.544 0.266 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@]1(CCN(Cc3ccco3)C1)CC2 306127118 FOSFIPYIUOKVPS-HXUWFJFHSA-N 379.420 0.989 0 40 GCAB O=S1(=O)CC[C@@H](N2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)C1 575414781 SIDHYGADVASORC-CYBMUJFWSA-N 394.465 0.895 0 40 GCAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc(C)n1 585147321 BYPGPCVHGIPSLV-CQSZACIVSA-N 396.469 0.415 0 40 GCAB CC(=O)N1CC(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)c3c(C)cnn3C)C2)C1 1614423254 UZDMFMJCLDQSSF-NVXWUHKLSA-N 387.484 0.660 0 40 GCAB O=C(NCCc1ccccn1)[C@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)C2CC2)C1 2055746144 QXACQEBERIUGOO-IAOVAPTHSA-N 379.482 0.712 0 40 GCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 4303970 DARWTKCCWUJPLF-UHFFFAOYSA-N 384.371 0.380 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC(C)C)cc1 4357242 GFXFXBMXMLKZSA-HNNXBMFYSA-N 399.469 0.073 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCCCOc2ccc(F)cc2)n(C)c1=O 6371032 CWZHCOXRLXWWRK-UHFFFAOYSA-N 390.371 0.585 0 40 GCAB O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 8582542 CNMCFXDTJZNDME-YPHNTLSLSA-N 390.421 0.023 0 40 GCAB C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)C1=O 12003038 LSWDPXAXVSMPGA-NSHDSACASA-N 379.438 0.337 0 40 GCAB COCCN1C(=O)/C(=C\NCCn2c(C)nc3ccccc32)C(=O)NC1=S 25561800 SZRKBQUFLSNRCP-QBFSEMIESA-N 387.465 0.708 0 40 GCAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 32896026 YVBRIHCGGSGZDD-RYUDHWBXSA-N 397.453 0.705 0 40 GCAB CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 35392754 LPNZQYCVSYLNNQ-UHFFFAOYSA-N 389.452 0.271 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 38518296 CRSMHIYBDBKSRP-UHFFFAOYSA-N 385.380 0.976 0 40 GCAB COCCNC(=O)CNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 40267192 XINZAMNDLOOGKM-UHFFFAOYSA-N 394.431 0.937 0 40 GCAB CCCNC(=O)[C@H](C)NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NCCC)n1 46670964 RITGHAHCVUBMIQ-STQMWFEESA-N 391.472 0.371 0 40 GCAB COCCN(CCOC)S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 48310598 GOKCCGJXKDESKT-UHFFFAOYSA-N 395.522 0.815 0 40 GCAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC3CCN(C(C)=O)CC3)O2)no1 77262717 URRKNWFXTVIEPQ-YTQUADARSA-N 381.473 0.873 0 40 GCAB biogenic,in-vitro CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCCNS(C)(=O)=O 79052280 SRWOWFPPQQCAJO-ZDUSSCGKSA-N 378.472 0.082 0 40 GCAB O=C1C[C@H](N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C(=O)N1C1CC1 102616388 UIKBSSYHXBARQJ-INIZCTEOSA-N 377.466 0.424 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)CC1 225777095 VYLQQKFZTCVTIN-UHFFFAOYSA-N 390.465 0.251 0 40 GCAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 324496445 PTIWMZDGZWPUDT-SNVBAGLBSA-N 397.858 0.208 0 40 GCAB Cn1cnnc1SCCNC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 390829577 ZVRFZAFKIHHSFW-UHFFFAOYSA-N 385.457 0.136 0 40 GCAB Cc1nccnc1N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)CC1 647504810 QYSKMYDFYNUOBH-OCCSQVGLSA-N 375.429 0.003 0 40 GCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)CN(C)C(C)C)C2 1614928404 NHEUYRFFVRSFJX-AWEZNQCLSA-N 379.505 0.704 0 40 GCAB CC(C)CCn1c(CN2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C 2440212 IOCDTSBNIYANHP-UHFFFAOYSA-N 390.488 0.177 0 40 GCAB in-vitro Cn1c(=O)c2c(nc(Br)n2CC(=O)Nc2ccccc2)n(C)c1=O 2807479 FSKQAJIXJZVAGM-UHFFFAOYSA-N 392.213 0.835 0 40 GCAB CCc1cccc(OC[C@@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 7425612 MTNVOTZEOYKXJX-ZDUSSCGKSA-N 387.440 0.492 0 40 GCAB CC1CCN(S(=O)(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 12947917 ZQAJBHYKRDKSSB-UHFFFAOYSA-N 379.490 0.462 0 40 GCAB C[C@@]1(C2CC2)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 14198291 GMDAKUJTEKBPQA-SFHVURJKSA-N 393.465 0.928 0 40 GCAB CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 14766272 YPNFVZQPWZMHIF-DGXTUMSLSA-N 392.426 0.823 0 40 GCAB in-vitro Cc1cccc2c3c([nH]c12)CCN(C(=O)CCN1C(=O)N[C@H]2NC(=O)N[C@H]21)C3 19236557 FHEDBOLXJUSYKU-SJORKVTESA-N 382.424 0.741 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)cc1 19660180 XKTXIWNTSNYLAU-AWEZNQCLSA-N 395.481 0.587 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1 24082267 KTJGQVBMGOWEIV-UHFFFAOYSA-N 390.531 0.630 0 40 GCAB O=C1C[C@@H](N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C(=O)N1C1CC1 32869587 UIKBSSYHXBARQJ-MRXNPFEDSA-N 377.466 0.424 0 40 GCAB CC(=O)N1C[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)Oc2ccccc21 35325077 HEMDOAGIGUAAHY-GOSISDBHSA-N 386.452 0.223 0 40 GCAB O=c1ccc(-c2cccs2)nn1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 72406453 YMNKMHFCYFCUSA-CQSZACIVSA-N 394.522 0.734 0 40 GCAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 197175536 VWGAURLPXKOXOZ-CRWXNKLISA-N 380.378 0.104 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)c1 238846427 IKWNSMDSFSDUMH-UHFFFAOYSA-N 398.510 0.647 0 40 GCAB C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@@H](C)O1 306123671 ATMTXXKINRXRRW-VLXJIEOASA-N 399.455 0.522 0 40 GCAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 408612116 YMKUKBXGOHZTJH-HNNXBMFYSA-N 399.513 0.589 0 40 GCAB Cn1nc(S(C)(=O)=O)c2c(=O)n(Cc3cccc4c3OC(F)(F)O4)cnc21 655501274 VILNZYWMYQRHFM-UHFFFAOYSA-N 398.347 0.903 0 40 GCAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 656732908 YMLQGVSOPVHYCN-AAEUAGOBSA-N 378.472 0.388 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 681944111 SXZDCNPRSUKRFI-OAHLLOKOSA-N 389.408 0.345 0 40 GCAB Cc1c(C(=O)N2C[C@H]3C[C@H]4[C@@](C2)(CN(C)S4(=O)=O)O3)nc2ccccn12 1565550861 JBIJFGJDRVINCR-IGCXYCKISA-N 376.438 0.270 0 40 GCAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 825934 ACLAGDPWFDTCEN-UHFFFAOYSA-N 376.409 0.565 0 40 GCAB COc1cccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4303958 QOQBTUAOQPELEO-UHFFFAOYSA-N 396.407 0.249 0 40 GCAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)O 5244237 AZUSAZXAAQMOCP-OZVIIMIRSA-N 393.415 0.909 0 40 GCAB CN(C(=O)COC(=O)COc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 5802228 JWNXXCQFVRKLEA-GFCCVEGCSA-N 375.830 0.908 0 40 GCAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 13372022 RCCSZEQPIXWOSD-HOTGVXAUSA-N 389.495 0.357 0 40 GCAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 13625930 OHMVVTZJXVVVHU-QGZVFWFLSA-N 388.468 0.439 0 40 GCAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1O 16743301 RGZOJMHMKLBNNJ-UHFFFAOYSA-N 376.390 0.786 0 40 GCAB Cc1cc(C)n(CCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)c(=O)n1 19572466 SHXQQZSPXPZRRN-UHFFFAOYSA-N 396.447 0.690 0 40 GCAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 36390168 CNNZBLUJIMMRQN-KRWDZBQOSA-N 386.496 0.441 0 40 GCAB O=C(Cc1ccc2c(c1)CCCC2)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 40094499 ZFOUIRLQJSMCDK-KRWDZBQOSA-N 378.494 0.918 0 40 GCAB O=C(NCCN1CCN(C(=O)C(F)(F)F)CC1)c1nc(O)c2ccccc2n1 44916555 HHFJDQMSKKDAOF-UHFFFAOYSA-N 397.357 0.772 0 40 GCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O 71756604 OHKOGUYZJXTSFX-SREGZZRCSA-N 384.435 0.548 0 40 GCAB in-vitro NC(=O)Cn1nnn(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1=O 77100172 NQBHSZOWBMDKIZ-UHFFFAOYSA-N 386.799 0.749 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@@]21CCN(C)C1=O 96036384 JFCGFGFYWATGLK-GOSISDBHSA-N 393.513 0.577 0 40 GCAB Cc1noc(C)c1CN1CCN(C(=O)[C@H](C)n2cnc3c(N)ncnc32)CC1 666431679 ZEYVUDQYZXTWLZ-LBPRGKRZSA-N 384.444 0.919 0 40 GCAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]2CO[C@@H]1O2 952844864 PDPNMJALEITJQG-HSFUPAIVSA-N 393.465 0.411 0 40 GCAB biogenic,in-vitro Cc1cnc(N(C)[C@@H]2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nc1 1889201427 BWCBAETZXDGLKP-MRXNPFEDSA-N 395.529 0.884 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 2643850 XVPCSDSVLRDRNR-UHFFFAOYSA-N 377.209 0.836 0 40 GCAB COC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 4061355 LSTJDXFITQDPJU-JTQLQIEISA-N 387.421 0.888 0 40 GCAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnnn1C1CC1)C2=O 9730215 BMVKLRHHLVMKCK-UHFFFAOYSA-N 379.446 0.632 0 40 GCAB Nn1c(SCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 17541147 GQDCWEKQCHWCMI-QMMMGPOBSA-N 399.420 0.281 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c(C(=O)OC)c2C)NC(=O)NC1 18329396 COBOOMADNGUBGF-UHFFFAOYSA-N 379.369 0.705 0 40 GCAB Cc1ccc(Cl)cc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20567900 NHEQNNQDFVIZSM-UHFFFAOYSA-N 389.905 0.863 0 40 GCAB CN(C)C(=O)CN1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 22844848 QWSFDTSUBFYHHX-UHFFFAOYSA-N 398.454 0.653 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C[C@H]2CCCO2)CC1 22877486 OBKCKXOQRZZHBO-GOEBONIOSA-N 396.513 0.458 0 40 GCAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1cccnc1-n1cncn1 40108968 YNBXHURNCGRANA-UHFFFAOYSA-N 397.439 0.923 0 40 GCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(c3cnccn3)CC2)C1 96005169 RLPADXKTKOTEOX-UHFFFAOYSA-N 379.486 0.329 0 40 GCAB CCCC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCN(C)CC1)Cn1ccnc12 96243752 GRSWEPWJCZUORR-INIZCTEOSA-N 389.500 0.674 0 40 GCAB OCCOCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1 257328939 XHSAVVVOTAGACG-HXUWFJFHSA-N 388.468 0.595 0 40 GCAB O=C(CCn1ccc(O)nc1=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390830912 OGZBMERPOMXMNW-OAHLLOKOSA-N 391.449 0.727 0 40 GCAB CCOC[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CCO1 527882022 PUZYQRUGKQPQNM-HNNXBMFYSA-N 377.507 0.636 0 40 GCAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)c1ccno1)C2 604381804 PFXDJRWZQMSCKU-MRXNPFEDSA-N 382.420 0.726 0 40 GCAB biogenic,in-vitro Cn1cnc2c(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)ncnc21 606156590 JVXOAMMZOZWYRW-UHFFFAOYSA-N 381.444 0.317 0 40 GCAB Cn1cc(N2CCC(NC(=O)CCc3ccccc3F)CC2)c(=O)n(C)c1=O 1889125049 KBMPXXFKSIQZPT-UHFFFAOYSA-N 388.443 0.941 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc(Cl)s2)n(C)c1=O 3299890 SQTTZGUKWJWCBJ-UHFFFAOYSA-N 396.812 0.575 0 40 GCAB Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2C 3640596 PIYHYTZVBUFMQX-OAHLLOKOSA-N 382.298 0.522 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2cnc3sccn3c2=O)cc1 6495115 DCRZFNXGQMTBAG-UHFFFAOYSA-N 378.435 0.376 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)N(Cc1ccc(F)cc1)C1CC1)c(=O)n2C 8216697 LIMKBZFCGVJKCS-UHFFFAOYSA-N 385.399 0.764 0 40 GCAB O=C(Cn1cnc2cc(F)ccc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8329082 DNRBGJPDBDFCSL-ZDUSSCGKSA-N 379.413 0.714 0 40 GCAB O=C1C(=O)N(Cn2nnc3ccccc3c2=O)C(=O)N1CCc1cccs1 12736711 YJPUNEBOUFHWKW-UHFFFAOYSA-N 383.389 0.844 0 40 GCAB O=C1SCCN1CC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 12940100 WLULYAMYFFWMRF-OAHLLOKOSA-N 391.449 0.808 0 40 GCAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 14118818 ICESSVRGEMVAAF-QGZVFWFLSA-N 392.525 0.925 0 40 GCAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2ncccn2)CC1 14158156 LUUGZKXDFJXTAI-UHFFFAOYSA-N 398.467 0.671 0 40 GCAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)NC(=O)NC1CCCC1 17225156 QFLUFFMFRXKDEJ-UHFFFAOYSA-N 392.437 0.850 0 40 GCAB Cc1ccc([C@]2(O)CCN(C(=O)CNC(=O)c3nc4ncccn4n3)C2)cc1 19718956 JXEIBSIVGWDGSE-IBGZPJMESA-N 380.408 0.283 0 40 GCAB CNC(=O)c1cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)nc2ccccc12 19762821 CMBVVEMEJGECPG-INIZCTEOSA-N 378.454 0.774 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCNC(=O)C2)cc1 23419890 KWNPXPXURRFPGG-OAHLLOKOSA-N 383.470 0.347 0 40 GCAB CNC(=O)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O 58167464 FFKIDRNAXHZKHW-UHFFFAOYSA-N 381.230 0.801 0 40 GCAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2C1 64773631 WWRSRUPAWNGRTN-HNNXBMFYSA-N 397.479 0.978 0 40 GCAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(S(C)(=O)=O)CC3)C1=O 96262697 IVKUIOXYHBIADX-QGZVFWFLSA-N 386.518 0.264 0 40 GCAB CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 97015634 MEXFPHSLYBUHKK-AWEZNQCLSA-N 397.478 0.832 0 40 GCAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)C2)nn1 225432939 VPRVSQNNOPZWKW-CQSZACIVSA-N 392.437 0.491 0 40 GCAB CCN1CCN(C(=O)NC[C@](O)(c2ccco2)c2cccs2)C(=O)C1=O 225588740 KWTFYLMLGWSHRC-KRWDZBQOSA-N 377.422 0.977 0 40 GCAB O=C(c1ccccn1)N1CCO[C@H](Cn2nnc3c(N4CCCC4)ncnc32)C1 306126168 DOSULJWSLAYXIK-AWEZNQCLSA-N 394.439 0.758 0 40 GCAB Cc1ccc2nc(CN3CCS(=O)(=O)C[C@H]3c3cnn(C)c3)cc(=O)n2c1 568779432 GUMLTDRIOVANRM-INIZCTEOSA-N 387.465 0.708 0 40 GCAB CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 585288880 AHALERRPWSQYJW-HKUYNNGSSA-N 395.887 0.442 0 40 GCAB Cc1noc(CC(=O)N2CCC3(CC2)CO[C@@H](COCC(=O)N(C)C)C3)n1 1565556382 SEYKYVXQXRQLPC-CQSZACIVSA-N 380.445 0.423 0 40 GCAB Cc1cc(NC(=O)CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2cnccn2)n(C)n1 1615610454 CZCCPVJAIDQPFZ-FRIZHTMISA-N 383.456 0.279 0 40 GCAB COc1ccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 784225 UJVLKUHHKZHNNQ-GFCCVEGCSA-N 383.470 0.574 0 40 GCAB CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 930531 KOFLOYDESIHRNW-UHFFFAOYSA-N 391.428 0.459 0 40 GCAB COC(=O)C1CCN(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)CC1 7785698 VZQIEIYOTLDEHO-UHFFFAOYSA-N 386.474 0.162 0 40 GCAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCN(c2ncccn2)CC1 8229740 PVQCBGXUXUCTTR-UHFFFAOYSA-N 386.456 0.770 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 9051555 IMUPONDIHPTVQR-NXEZZACHSA-N 389.503 0.119 0 40 GCAB Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCOCC1 9607709 UEAWDXMPZZCXOB-CYBMUJFWSA-N 384.502 0.779 0 40 GCAB Cc1cc(NC(=O)CN(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)no1 10428736 KFYQUXKNYZRKFH-UHFFFAOYSA-N 384.396 0.538 0 40 GCAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)N21 16577149 CRMAYBUUZRFYBT-JTQLQIEISA-N 390.421 0.819 0 40 GCAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F 18190316 CSFFTSRVLXCIIG-WDEREUQCSA-N 390.314 0.409 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(OC)cc1 20636922 VIFHQHJEURAUFJ-HZPDHXFCSA-N 388.424 0.175 0 40 GCAB COC(=O)CCNC(=O)CCNC(=O)CCNC(=O)c1ccc(OC)cc1 41157728 CWKDPGGGRACNJB-UHFFFAOYSA-N 379.413 0.001 0 40 GCAB Cc1ncn(CC(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c(=O)c1C 77148832 UVWASLVKLFCKCD-UHFFFAOYSA-N 386.456 0.496 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)c1 224174573 DPCDWJZXAUSPEN-UHFFFAOYSA-N 394.453 0.809 0 40 GCAB NC(=O)c1cc(CC2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)n[nH]1 225565260 HFRNVYAKAAWDIF-UHFFFAOYSA-N 394.435 0.700 0 40 GCAB Nc1cc(-c2cncnc2[C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1 257260941 LFDUZXJYTCOLLH-AWEZNQCLSA-N 390.469 0.487 0 40 GCAB Cn1nccc1C(=O)N1CC[C@@]2(CCn3ncnc3[C@@H]2NC(=O)C2CCC2)C1 306137358 QUDMGHBFOAAHMO-HNAYVOBHSA-N 383.456 0.905 0 40 GCAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(C(=O)C2CC2)CC1 524735068 SMDHGHWVMZHSJI-INIZCTEOSA-N 384.436 0.644 0 40 GCAB Cn1nc2c(c1CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)CCCC2 562286797 SSZDXTROUOLLIN-ZDUSSCGKSA-N 383.518 0.912 0 40 GCAB Cc1cc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)n(C)n1 585111732 AAOIVWOLTYYRFJ-HNNXBMFYSA-N 378.502 0.954 0 40 GCAB COc1ccc(CN2CCN(C(=O)Cn3cc(CNC(C)=O)nn3)CC2)cc1 641028693 NLKUCFGZYJPNAB-UHFFFAOYSA-N 386.456 0.267 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 681942722 OERGPTSNAUOLBO-CYBMUJFWSA-N 378.381 0.232 0 40 GCAB Cc1ccncc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243265 WIGKJMRVZPKIIZ-AWEZNQCLSA-N 376.438 0.295 0 40 GCAB COC(=O)[C@](O)(c1c(N)n(-c2ccccc2F)c(=O)[nH]c1=O)C(F)(F)F 6658123 UKHSMYGFJPGCOX-CYBMUJFWSA-N 377.250 0.170 0 40 GCAB Cc1cc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1N1CCCC1=O 10747169 GISGBQYBNGJHSK-LBPRGKRZSA-N 399.451 0.785 0 40 GCAB CCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n[nH]c1=O 13598076 KABSKPYXGVJMIN-UHFFFAOYSA-N 399.498 0.963 0 40 GCAB CCCNC(=O)[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1OC 14016448 ASJUYDDOVUOQAK-LLVKDONJSA-N 378.458 0.794 0 40 GCAB COCCN1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 24985861 UEPWQPKQXZVQFK-UHFFFAOYSA-N 387.488 0.790 0 40 GCAB O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 25329599 IIEAJDPGAMIAKM-UHFFFAOYSA-N 381.498 0.923 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)NCc2nc3ccccc3s2)n(C)c1=O 31098099 ANYSERCXCZSTKY-UHFFFAOYSA-N 384.421 0.360 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(N)=S)CC2)cc1C 32934758 CLXGUYVRPXCCEZ-UHFFFAOYSA-N 384.527 0.360 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(NC3CC3)s2)CC1 36386050 HBJDEWPMSFUOFK-UHFFFAOYSA-N 384.531 0.437 0 40 GCAB COCCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 48261025 TVYYQYCTFMBHEF-UHFFFAOYSA-N 385.468 0.987 0 40 GCAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(C=O)CC3)nc2N)cc1 71772087 NUCUIEYUFACACD-UHFFFAOYSA-N 377.426 0.179 0 40 GCAB C[C@H](C(=O)N1CCOCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326423 IOOYEBIYOVWXHR-YJYMSZOUSA-N 387.440 0.193 0 40 GCAB COc1ccc(CC(=O)NCCn2nnn(-c3cccs3)c2=O)cc1OC 72341067 SMWBLDJYCVLIMG-UHFFFAOYSA-N 389.437 0.867 0 40 GCAB Nc1cc(-c2c[nH]nc2[C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1 72391968 PNDDQAFUAXNKLN-CQSZACIVSA-N 378.458 0.768 0 40 GCAB C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 95970493 VMPLCMIDSCMQOC-NSHDSACASA-N 386.426 0.257 0 40 GCAB CCOC(=O)/C=c1/s/c(=C/c2cccs2)c(=O)n1CC(=O)N1CCCC1 105763247 IJCGWSYBTFDYKG-LRHSVYTJSA-N 392.502 0.766 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 226650500 WJVSUUOYTGGIPB-MFCZKXCZSA-N 385.372 0.948 0 40 GCAB O=c1c2ccccc2nc(O)n1C1CCN(S(=O)(=O)N2CCOCC2)CC1 238859340 KJPBPJNANBKHQA-UHFFFAOYSA-N 394.453 0.316 0 40 GCAB O=C(NC[C@@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1)c1csnn1 2055754771 POJAUWTWXBRNKI-JTQLQIEISA-N 376.442 0.805 0 40 GCAB CCS(=O)(=O)CCN1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773092 VGGYZHBLFBBJTC-UHFFFAOYSA-N 396.435 0.787 0 40 GCAB CNC1=NC(=O)C[C@@H](C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)S1 987300 YILQVMRYAKFPHN-NSHDSACASA-N 379.394 0.806 0 40 GCAB Cc1c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(=O)n(C)c(=O)n1C 4271551 CCNIWAYWNPPSIK-UHFFFAOYSA-N 396.444 0.042 0 40 GCAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccco2)cc1 4337191 UBYCREBHZJFYCR-INIZCTEOSA-N 387.392 0.519 0 40 GCAB COc1ccc(N2C[C@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1OC 4479858 WMCNBWXSDCWBNO-CQSZACIVSA-N 390.440 0.683 0 40 GCAB O=S(=O)(c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583137 FOXBXQNEHGMYIB-UHFFFAOYSA-N 389.481 0.824 0 40 GCAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c[nH]c(=O)[nH]c2=O)ccc1C 6784526 JFCYGVGOLUOKSQ-UHFFFAOYSA-N 380.426 0.654 0 40 GCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 11859331 WDMORFDLYAADBT-UHFFFAOYSA-N 395.462 0.935 0 40 GCAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1=NCCS1 12568726 SBFZXYFBWAZSJB-CQSZACIVSA-N 399.494 0.980 0 40 GCAB CC(=O)NCC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(C)=O)c2)CC1 19698045 AJAWKPDFTLBPGH-LJQANCHMSA-N 387.484 0.858 0 40 GCAB O=C(CCn1cnnn1)N1CCO[C@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704472 SHNGSNISUFMYMS-HXUWFJFHSA-N 396.451 0.650 0 40 GCAB CCS(=O)(=O)N1CCc2nc(C3CCN(C(C)=O)CC3)nc(NC)c2C1 19711085 OMENNVIWPQCNCH-UHFFFAOYSA-N 381.502 0.952 0 40 GCAB CCc1ccccc1Nc1nc(N)nc(CN2CCN(CC(=O)N(C)C)CC2)n1 22788352 NBUHQIMHMRFGQC-UHFFFAOYSA-N 398.515 0.966 0 40 GCAB CN(C)c1nc(N)nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 22912868 FOCZWTVMPMYLAO-UHFFFAOYSA-N 388.451 0.415 0 40 GCAB CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C 35442531 QIIGHSQGCOBPDY-UXLLHSPISA-N 394.545 0.560 0 40 GCAB biogenic,in-vitro C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccccc2)ccc1=O 44390868 PFBYQKQZLBHPTK-AWEZNQCLSA-N 390.465 0.575 0 40 GCAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(=O)NCC(F)(F)F)C2=O)o1 58184526 XPGOLVLKUIYNHY-ZDUSSCGKSA-N 376.291 0.743 0 40 GCAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)n1 224184576 CUWJBFLTAVSMFE-UHFFFAOYSA-N 394.439 0.836 0 40 GCAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953217 VTCCJXRXUHWVLG-YVEFUNNKSA-N 382.438 0.991 0 40 GCAB CCCCC[C@@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 514288247 YAZBAPFSBSLGJA-CYGVFTLASA-N 376.446 0.238 0 40 GCAB biogenic,in-vitro O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575608182 MDFXZUMDSSKTEH-UHFFFAOYSA-N 391.431 0.910 0 40 GCAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ccc3nccn3n2)CC1 585500537 JZGOIXQZOJLOOW-UHFFFAOYSA-N 377.412 0.783 0 40 GCAB CNS(=O)(=O)CCNC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 644949958 HKFVMINGMZMAPP-PHIMTYICSA-N 377.369 0.048 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 4850481 OLAAJXRQBBEERP-UHFFFAOYSA-N 380.513 0.911 0 40 GCAB O=C(OCC(=O)N1CCNC1=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 5572345 ADIZZDKVJBFVJK-UHFFFAOYSA-N 377.372 0.773 0 40 GCAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C(=O)N1CCOCC1 10219651 ABAMOKPDOVNMGV-UHFFFAOYSA-N 390.421 0.098 0 40 GCAB CN(C)[C@H](CNC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 12203808 VUCZSENWCLPPGI-ZIAGYGMSSA-N 381.454 0.334 0 40 GCAB COc1ccc(S(=O)(=O)Nc2ccc3nc[nH]c(=O)c3c2)cc1-n1cnnn1 12371428 MKTIQTAESYSGIE-UHFFFAOYSA-N 399.392 0.708 0 40 GCAB C[C@H](NCc1ccccc1Cn1cccn1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 12866599 BKGHQGLKXUCFCK-ZDUSSCGKSA-N 396.451 0.272 0 40 GCAB CC(=O)NCCNC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12997843 DWYQOYXLCKTOBV-UHFFFAOYSA-N 389.452 0.605 0 40 GCAB Cn1cc(C(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)ccc1=O 19697455 BGTKJCRYAXHABL-UHFFFAOYSA-N 377.404 0.914 0 40 GCAB COCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699793 MOTRWOWFDOIRNF-HNNXBMFYSA-N 380.489 0.666 0 40 GCAB C[C@@H]1CCc2nc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)sc2C1 21798987 NVXCPSOFPXBGSI-SECBINFHSA-N 388.453 0.654 0 40 GCAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(N2CCOCC2)nc1 22189602 LNJVGIUKUHZTGN-UHFFFAOYSA-N 395.419 0.950 0 40 GCAB COc1ccc(S(=O)(=O)CCNC(=O)C2(n3cnnn3)CCCCC2)cc1 72403950 PIGDSQYQGIQMSQ-UHFFFAOYSA-N 393.469 0.931 0 40 GCAB CCOC(=O)/C=c1/s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)OCC 96893645 CQEWXSUDPONJEK-MBKDJOQRSA-N 375.446 0.954 0 40 GCAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)ccnc12 257295472 QYKWBFNDDFYSLS-GFCCVEGCSA-N 380.474 0.417 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)C[C@@H](C)O1 524165221 ZOCMKLZEOLVFMU-BETUJISGSA-N 380.474 0.434 0 40 GCAB CC(C)n1cc(C2=CCCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)nn1 615816623 CJCLNNJCEPPKOM-HNNXBMFYSA-N 396.517 0.780 0 40 GCAB C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]12CCN(CCN1CCCC1)C2=O 1614937117 GVKRAKCHQRSQSX-CRAIPNDOSA-N 385.530 0.214 0 40 GCAB Cc1noc(C)c1CN1C[C@]2(COCCN(CC(=O)N3CCCC3)C2)CC1=O 1614940703 UYQPEUWMGMWIET-FQEVSTJZSA-N 390.484 0.965 0 40 GCAB O=C1NC(=O)C2(CN(C(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C2)N1 1633317989 JCRUHHSGKAZFDW-MRVPVSSYSA-N 395.778 0.188 0 40 GCAB CCCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 4569394 LEEAETLAIPCGLR-CYBMUJFWSA-N 383.470 0.491 0 40 GCAB CCOC(=O)[C@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 4999285 PWYPAGXBJINJHK-DGCLKSJQSA-N 375.356 0.486 0 40 GCAB Nc1c(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(=O)[nH]c(=O)n1C1CC1 10523474 DKLKPOKGQFAWBM-UHFFFAOYSA-N 387.327 0.292 0 40 GCAB CN1CCN(C2=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)CC1 15019355 HYYDLQXAAPOPJM-UHFFFAOYSA-N 377.466 0.249 0 40 GCAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1 19017042 HIYYVWVFEPEDRZ-ZDUSSCGKSA-N 384.440 0.353 0 40 GCAB CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32736747 JYUCMPYHOPHVCL-OLZOCXBDSA-N 375.425 0.842 0 40 GCAB COc1ccccc1NC(=O)[C@@H](C)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 32739783 WWFSCFJWNGYNIL-CABCVRRESA-N 381.498 0.827 0 40 GCAB COC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 32915771 XOWYQPRFFOUIBW-UHFFFAOYSA-N 383.470 0.835 0 40 GCAB CC1=NN(C)[C@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@H]12 82086860 LAKVTKCYGVWWTR-QZTJIDSGSA-N 385.447 0.881 0 40 GCAB O=C(CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)NCCO 84136547 BDVVFFNUPQPUNE-OCABNYQQSA-N 377.485 0.419 0 40 GCAB COc1ccc(S(=O)(=O)CCNC(=O)COc2cn(C)c(C)cc2=O)cc1 95479128 BJBCNOBNRCVTKH-UHFFFAOYSA-N 394.449 0.671 0 40 GCAB COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(S(N)(=O)=O)ccc21 101337875 OKZBWKDBNXLJKV-ICFOKQHNSA-N 395.466 0.471 0 40 GCAB CCOC(=O)c1s/c(=N\C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n(C)c1C 101345232 PZFIRIRQWBHEGT-YOJQOHNYSA-N 389.499 0.671 0 40 GCAB Cc1ncn(CC(=O)NCCN2c3ccccc3N(C)S2(=O)=O)c(=O)c1C 244914800 BEIVINLOURSANA-UHFFFAOYSA-N 391.453 0.178 0 40 GCAB C[C@H]1CN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CCN1C(=O)c1cscn1 565314794 VNMAHAKIAHUVEQ-RYUDHWBXSA-N 386.499 0.528 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nccn4nccc34)CC2)n1 1889149396 KGLVVQPOVZTFGS-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2635810 DFJWSUJBBAQEFY-UHFFFAOYSA-N 383.455 0.556 0 40 GCAB CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C 4554371 IYOMTCIVMTXMPJ-AWEZNQCLSA-N 385.461 0.930 0 40 GCAB C[C@H](OC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 4985207 MTFHVHKDBMSZNR-LBPRGKRZSA-N 382.438 0.988 0 40 GCAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)o1 7736142 XKYKJNHPFFTDDF-UHFFFAOYSA-N 394.229 0.911 0 40 GCAB NC(=O)CCS(=O)(=O)CCN1CCC(C(=O)Nc2ccccc2O)CC1 15043744 MEVAVLXDRGSNRY-UHFFFAOYSA-N 383.470 0.333 0 40 GCAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 19573003 IVPPATLZABGRDD-CYBMUJFWSA-N 394.497 0.594 0 40 GCAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCS(=O)(=O)C1 23013829 GQVUPGJZSYGDRD-LBPRGKRZSA-N 382.438 0.680 0 40 GCAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCOC)C3=O)CC1 32070110 XCZVIFBRQIKPRN-UHFFFAOYSA-N 389.408 0.843 0 40 GCAB Cc1cc(NC(=O)CN2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)no1 36407972 UZMRBXLWFFDMRM-UHFFFAOYSA-N 399.407 0.674 0 40 GCAB COC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 58010931 ZZTNZDLDNVKKAF-UHFFFAOYSA-N 381.410 0.924 0 40 GCAB CS(=O)(=O)N[C@H](CC(=O)NCCSc1ncn[nH]1)c1ccc(F)cc1 225943260 LGWAZTYBWDGTMF-GFCCVEGCSA-N 387.462 0.833 0 40 GCAB Cc1c(C)[n+]([O-])c([C@@H](CC(C)C)C2C(=O)NC(=O)NC2=O)n1CCN(C)C 524732362 UDYVHYTUMBCLHV-ZDUSSCGKSA-N 379.461 0.412 0 40 GCAB Cn1cc(N2CCC(Nc3ncc(Br)cn3)CC2)c(=O)n(C)c1=O 1889091462 LSGXDDABYLNHIO-UHFFFAOYSA-N 395.261 0.717 0 40 GCAB COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C 5252001 RILDWKKCQDALRQ-UHFFFAOYSA-N 398.423 0.241 0 40 GCAB Cn1c(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)cc(=O)n(C)c1=O 8747986 GMFDJLDCUUADOR-UHFFFAOYSA-N 392.481 0.027 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)NC3CC3)C2)cc1 9485313 SKZALZKDVDWJAG-CYBMUJFWSA-N 395.481 0.491 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 12409002 KLHLBZFJBMOTLE-GFCCVEGCSA-N 385.873 0.797 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c1 16230742 VWPKHDOSWKWKRZ-UHFFFAOYSA-N 392.481 0.745 0 40 GCAB CC(C)NC(=O)CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 17811079 ZUEOPTWXBBLLLK-UHFFFAOYSA-N 382.467 0.553 0 40 GCAB CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(=O)n(C)c(=O)n1C 19288677 AATKNFOTUPSBLI-UHFFFAOYSA-N 388.424 0.017 0 40 GCAB CCN1C[C@@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)CC1=O 19526873 GFQUUEDYRSBZCX-INIZCTEOSA-N 399.495 0.956 0 40 GCAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 23631238 RSNBNVAKJGPURJ-ZNMIVQPWSA-N 387.488 0.510 0 40 GCAB CS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 43941673 ACHYVCXIDMIUDM-UHFFFAOYSA-N 397.453 0.184 0 40 GCAB COCCn1nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)ccc1=O 49590091 BNIDDBGIHROZDS-KRWDZBQOSA-N 398.419 0.885 0 40 GCAB COCCNC(=O)CN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)CC1 89414613 RPWHSMACWPXBMX-UHFFFAOYSA-N 389.456 0.625 0 40 GCAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2cccc3nsnc23)CC1 97527150 IKUZRFRNMXXAPD-GFCCVEGCSA-N 388.497 0.915 0 40 GCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C1=O 225384619 NUUOLKSFVCHVHL-SJORKVTESA-N 375.444 0.984 0 40 GCAB biogenic,in-vitro CCN1CCN(C(=O)NC[C@H](c2ccco2)N2CCSCC2)C(=O)C1=O 253408137 XCRFQNUOBMMCCA-CYBMUJFWSA-N 380.470 0.770 0 40 GCAB O=C(O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408592148 LESWNTBKGVQAOS-RUDMXATFSA-N 399.153 0.890 0 40 GCAB CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)CC1 408624444 QGPMTJFZONKTHR-UHFFFAOYSA-N 381.498 0.794 0 40 GCAB CCn1ncc(CNC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 527926696 FMMNFBAGKCFUFM-LBPRGKRZSA-N 398.514 0.870 0 40 GCAB CO[C@@](C)(C(=O)O)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 663073254 PLXCVKSESZQQDQ-IFXJQAMLSA-N 378.425 0.923 0 40 GCAB COc1nn(C)cc1C(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@@H]2C1 1888867098 OFLDVHPRKBMUIH-PHIMTYICSA-N 376.392 0.580 0 40 GCAB COc1ccc(C2=NO[C@@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1OC 5204847 VSGMVVKYDRBYNA-GFCCVEGCSA-N 399.407 0.644 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)c2cccc(N3CCCC3=O)c2)n(C)c1=O 7064913 BYLBYZAXKJQZEZ-UHFFFAOYSA-N 381.392 0.443 0 40 GCAB Cc1cc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)n1C1CC1 8133141 IZVJOQHJWOQBGK-AWEZNQCLSA-N 381.454 0.978 0 40 GCAB COc1ccc(CCNC(=O)Cn2cc(OC)c(=O)cc2CO)cc1OC 12230844 XQKPQYLDGZAKRZ-UHFFFAOYSA-N 376.409 0.725 0 40 GCAB biogenic NS(=O)(=O)c1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 12903467 VQXDBBXSZGCHDA-UHFFFAOYSA-N 392.462 0.881 0 40 GCAB CC(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12905433 UHOIUZAAXCNVLX-AWEZNQCLSA-N 377.422 0.993 0 40 GCAB COc1ccccc1NC(=O)CS(=O)(=O)CC(=O)Nc1nnc(C)s1 20162170 QKXFAERJXQWEGB-UHFFFAOYSA-N 384.439 0.847 0 40 GCAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCCN2CCOCC2)cc1 22583934 IJCAHFAZIVYCAS-HNNXBMFYSA-N 398.529 0.624 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(F)cc1F 24911870 TUPFGKLSPYENRE-LBPRGKRZSA-N 390.408 0.495 0 40 GCAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(N)=O)CC2)C1=O 32174872 GGPFJZRIVBSYAF-FQEVSTJZSA-N 386.452 0.958 0 40 GCAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccc(-n2cccn2)nc1 32901067 CTIBDKYZTOABKQ-UHFFFAOYSA-N 396.432 0.622 0 40 GCAB COc1cc2c(=O)n(C(C)C)c(=O)n(CC(=O)N3CCOCC3)c2cc1OC 71279216 RPPGYZUXDJNDKQ-UHFFFAOYSA-N 391.424 0.620 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1[C@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@H]14)O3)C2 72346564 PLXGPRDBKYTBFE-NARAOEGZSA-N 384.436 0.153 0 40 GCAB COc1ccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)cc1 96143340 VHYWBRSIVTXUCU-HXUWFJFHSA-N 388.468 0.570 0 40 GCAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96243678 JTKKZVXPSQJYBS-CQSZACIVSA-N 382.486 0.590 0 40 GCAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(N2C(=O)COCC2=O)CC1 575617809 AFVBKHVBQKTULA-LBPRGKRZSA-N 390.392 0.559 0 40 GCAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCCN(S(=O)(=O)C2CC2)CC1 579736445 KGSAIRKKTDONRA-UHFFFAOYSA-N 380.392 0.928 0 40 GCAB Cc1cc(N2C[C@H]3[C@H](NC(=O)c4nnn(C)n4)[C@H]3C2)nc(-c2ccccn2)n1 1615059037 ZGWUKIWPVLJWNW-JYAVWHMHSA-N 377.412 0.235 0 40 GCAB COC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 4073606 SFPNWBNSBRNTNH-QMMMGPOBSA-N 379.232 0.405 0 40 GCAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)O 5324575 LZPOFFYLPFLYEH-PXAZEXFGSA-N 393.415 0.910 0 40 GCAB Cc1ccc(NC(=O)COC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1 5855917 AMBXVEUHGQYXOU-UHFFFAOYSA-N 382.438 0.908 0 40 GCAB CN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O 8769420 WMOYFHYPSBLWSJ-UHFFFAOYSA-N 381.410 0.163 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1CCN(C(=O)c2ccco2)CC1 11527824 BAUCCCRPBXPSKT-UHFFFAOYSA-N 396.403 0.704 0 40 GCAB CCOC(=O)C1=C(COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)NC(=O)N[C@@H]1C 13141764 ZHZZSPRGEDCAEZ-MIHTYCSTSA-N 397.453 0.502 0 40 GCAB COc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1Cl 13674161 YUQQYJRHJGZVSC-UHFFFAOYSA-N 389.861 0.415 0 40 GCAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc(=O)n(C)n1 22522205 KOHQIBWOLYQPRP-UHFFFAOYSA-N 378.410 0.482 0 40 GCAB COc1ccc(C(=O)N2CCNC(=O)C2)cc1S(=O)(=O)N1CCCC[C@H]1C 23418905 WAVMLWQHGYXDNO-CYBMUJFWSA-N 395.481 0.830 0 40 GCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NCCCOCC3CC3)cc2)CCN1 24655635 BEODHCVVOKRAHB-UHFFFAOYSA-N 395.481 0.354 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 38489224 HTABTCIXAIVFGN-UHFFFAOYSA-N 399.476 0.787 0 40 GCAB NC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 50858695 GLGNFCJLZGRZQO-GJZGRUSLSA-N 387.461 0.802 0 40 GCAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NC3CC3)C2)CC1 79017812 BLWKUBGHYURQSV-UHFFFAOYSA-N 388.490 0.425 0 40 GCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCCN(C)C)cc1C 80350184 FTZZGCNWXAUAGM-ZBFHGGJFSA-N 390.527 0.094 0 40 GCAB CC(=O)NCC(=O)N1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 96242443 SEYRKGDUMHVILI-UHFFFAOYSA-N 386.496 0.587 0 40 GCAB COC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408610767 VRVUTVLJESVTFH-UONOGXRCSA-N 386.470 0.626 0 40 GCAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 1565522897 VNABRZNFWIZHNC-UHFFFAOYSA-N 390.465 0.752 0 40 GCAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)nn1 1888897718 QXGPKYFNDPAJSZ-KBPBESRZSA-N 394.439 0.830 0 40 GCAB COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc(OC)c1 3841704 OENQESMOTAIALW-SJXGUFTOSA-N 397.453 0.027 0 40 GCAB biogenic,in-vitro Cn1c(N)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(=O)n(C)c1=O 6560554 IBAVYADELYQFEI-UHFFFAOYSA-N 392.721 0.383 0 40 GCAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 6886429 CFLIYTPBBWOSRN-GFCCVEGCSA-N 375.830 0.874 0 40 GCAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NC(C)C 8475927 VVUKXDBHCCPJDT-UHFFFAOYSA-N 383.470 0.719 0 40 GCAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccccc3N3CCOCC3)cnc21 8706797 VODUPGMDGITEDK-UHFFFAOYSA-N 382.424 0.995 0 40 GCAB CC(=O)N1CCC(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)CC1 9512926 KZSHSFCXJOXQEG-UHFFFAOYSA-N 380.422 0.633 0 40 GCAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cnccn3)CC1)NS2(=O)=O 19562718 BZQGPCVUOOMCKF-UHFFFAOYSA-N 389.437 0.822 0 40 GCAB CC(C)(C)OC[C@H](O)CN1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 22916014 ZISWMXHNGRUSBR-GOSISDBHSA-N 393.532 0.607 0 40 GCAB Cc1ccc(NC(=O)CSc2nc(CCC(=O)O)n(N)c(=O)n2)cc1C 27643352 HAHOBKHWGWAMFS-UHFFFAOYSA-N 377.426 0.717 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 36700525 HQCXCMKZXHVQGT-UHFFFAOYSA-N 386.441 0.701 0 40 GCAB Cc1cc(C)n2nc(CC(=O)NCc3cccnc3N3CCOCC3)nc2n1 40090139 BOIXBQFRHZPLKU-UHFFFAOYSA-N 381.440 0.832 0 40 GCAB COCCN1C[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O 45297083 MNHCQMGAWGXUTQ-CQSZACIVSA-N 386.452 0.988 0 40 GCAB Cc1cccc(NC(=O)CCNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 48302470 AMVSBWRDPHBAGP-MRXNPFEDSA-N 394.435 0.955 0 40 GCAB CN1C[C@H](C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)CC1=O 72325334 GWYGFJZOQKUUJU-SPLOXXLWSA-N 398.463 0.798 0 40 GCAB O=S1(=O)Cc2cnc(NCC3CC3)nc2[C@H]2CN(S(=O)(=O)C3CC3)C[C@H]21 96251943 DBNMCTOBLINTSR-UONOGXRCSA-N 398.510 0.487 0 40 GCAB CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C(=O)NCCOC)n1 102052161 PJNFZMTTYSKUHV-VTPLQMEGSA-N 376.413 0.741 0 40 GCAB COc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)C2)nn1 225442474 HROGWXYTXFBBMX-SNVBAGLBSA-N 392.393 0.762 0 40 GCAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 247504674 REKMWJZNLWANDN-MLGOLLRUSA-N 399.494 0.953 0 40 GCAB Cn1cc(CN2C[C@H]3OC[C@@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)cn1 248107355 GHRMYSXFMQDGEP-KBAYOESNSA-N 376.482 0.845 0 40 GCAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCN(Cc4ccccn4)CC2)[C@H]3C1=O 248163295 MXVRPLMEAGKROJ-NXWNEQKCSA-N 396.491 0.916 0 40 GCAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)[C@@H](N)CC(=O)O 257214219 CLCVPJMLORGZHA-AWEZNQCLSA-N 387.440 0.222 0 40 GCAB CN(C)C(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C 257241179 HWYXGPSWWPUNCI-HNNXBMFYSA-N 385.461 0.220 0 40 GCAB CN(C(=O)CC(C)(C)CC(=O)O)[C@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257340207 ZFBCKZKRAZPJBM-PGUXBMHVSA-N 390.444 0.822 0 40 GCAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CCN(Cc3nccs3)C1)C2 306134241 NGWGUTBFMSGZIL-QGZVFWFLSA-N 375.454 0.446 0 40 GCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC(C)C)cc1 408605147 MSXSTTQVNMTAGF-UHFFFAOYSA-N 388.486 0.921 0 40 GCAB Cn1nccc1S(=O)(=O)N1CCc2cc(S(N)(=O)=O)c(Cl)cc21 528552016 YHXXIIWYCPLNGG-UHFFFAOYSA-N 376.847 0.472 0 40 GCAB CN(C)CCOc1cnccc1CNS(=O)(=O)c1cnc2c(cnn2C)c1 585083805 ROYOBIPOMBYJSH-UHFFFAOYSA-N 390.469 0.782 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3)C2)CC1 585278658 PWPOHYAFXPLEAB-HXUWFJFHSA-N 378.469 0.502 0 40 GCAB Cc1ncn(CC(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c(=O)c1C 618256174 OKNSSDIMSCOTBY-UHFFFAOYSA-N 387.440 0.278 0 40 GCAB O=C(N[C@H]1CCN(C2CCCCC2)C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 628092835 VYZVTMQYOHFKRB-RYQLBKOJSA-N 379.501 0.916 0 40 GCAB Cn1c(O)nc(N2C[C@@H]3CN(S(=O)(=O)C4CCCCC4)C[C@H]3C2)cc1=O 1888847552 YHDWPQHIRHNALE-CHWSQXEVSA-N 382.486 0.516 0 40 GCAB Cc1ccc(N2CC(N(C)S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C2)nn1 1888908426 OLUKXHGEGVFGDE-UHFFFAOYSA-N 389.437 0.739 0 40 GCAB Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)O)c(C)c2oc1=O 2093056 BAVSAIBJKXPDLV-UHFFFAOYSA-N 376.365 0.414 0 40 GCAB biogenic Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 2498925 RBNFEEQPKGQFRP-GFCCVEGCSA-N 398.485 0.221 0 40 GCAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)N(C)C 4853503 MWVASOJBBWYHMA-UHFFFAOYSA-N 381.410 0.903 0 40 GCAB Cn1cccc1[C@H]1CCCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 9910414 RMYNCIOYFCBDEN-CQSZACIVSA-N 380.470 0.729 0 40 GCAB CCOc1ccc(CN(C)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1OC 12908299 YUYPLBVVEXFKTC-UHFFFAOYSA-N 387.440 0.931 0 40 GCAB Cc1ccc2c(CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)cc(=O)oc2c1 16544382 OGFMXMCHKAUYLC-ZDUSSCGKSA-N 378.406 0.957 0 40 GCAB Cn1cnc2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccc21 19718438 FAMKXKOWBLMEOH-UHFFFAOYSA-N 377.470 0.672 0 40 GCAB COCCn1c(C)cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1C 22916105 HLNKOWRXXKPRAQ-UHFFFAOYSA-N 376.501 0.830 0 40 GCAB CS(=O)(=O)N1CCCN(C(=O)CCCn2cnc3ccccc3c2=O)CC1 24780051 KHGAMORFXLALAY-UHFFFAOYSA-N 392.481 0.671 0 40 GCAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1NS(C)(=O)=O 32760126 ABIDSTWDAMYZSC-UHFFFAOYSA-N 380.426 0.181 0 40 GCAB CC(C)(C)n1ncc2c(=O)[nH]c(N3CCN(CC(=O)N4CCCC4)CC3)nc21 71853340 LAMYNBKAFKSPQF-UHFFFAOYSA-N 387.488 0.619 0 40 GCAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1cn[nH]n1 72311716 CLVFKMJTYAWBAW-GFCCVEGCSA-N 387.462 0.660 0 40 GCAB C[C@@H](C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1Cc2ccccc2C1=O 72406452 REHJQCCFJKNWSU-HOCLYGCPSA-N 391.493 0.362 0 40 GCAB Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(-n2cnnn2)c1C 95476254 JQNWBHQYSYITGU-UHFFFAOYSA-N 386.437 0.857 0 40 GCAB COC(=O)CCN1CCN(C(=O)CCNC(=O)Cc2ccccc2)C[C@@H]1C 95992838 PKYRZVQVZHVIMB-INIZCTEOSA-N 375.469 0.831 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCCN1CCOCC1 96230753 UCWYMOZAEJNHCN-INIZCTEOSA-N 392.431 0.475 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)N1CCOCC1 96251023 YDPXAPHTKVRUKL-KZNAEPCWSA-N 396.484 0.920 0 40 GCAB Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1 225520693 DAVAHLWLEJTOQQ-HIBCTMLNSA-N 378.473 0.244 0 40 GCAB biogenic,in-vitro CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1nccn1-c1ccccc1 626534972 LFRREDDBESSGJV-CQSZACIVSA-N 379.442 0.654 0 40 GCAB Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC([C@H]4CCOC4)C3)ccc21 684346460 BQEKGBMHJBJHNP-LBPRGKRZSA-N 387.440 0.486 0 40 GCAB CC(=O)[C@@H](C)N1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148222 LCHIWZQGRRYUGN-SNVBAGLBSA-N 398.398 0.775 0 40 GCAB NC(=O)CC[C@@H](NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5943936 DMAACYFKDDHBJM-SNVBAGLBSA-N 391.211 0.950 0 40 GCAB Cc1cc(=O)c(C(=O)OCC(=O)N2CCNC2=O)nn1-c1ccc(Cl)cc1 7878928 FXNGCTPYMYIBCZ-UHFFFAOYSA-N 390.783 0.903 0 40 GCAB Cc1cc(NC(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)no1 9780504 LEUXOGWSKFPZRU-UHFFFAOYSA-N 392.393 0.594 0 40 GCAB COC[C@H](C)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1 9794683 AVUJVNFDHKZRMA-VFNNOXKTSA-N 384.454 0.579 0 40 GCAB COc1cc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc(OC)c1OC 11612491 HDZPVDISFNPFNM-UHFFFAOYSA-N 377.397 0.869 0 40 GCAB C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1n[nH]c(=O)c2ccccc12 12186183 PLPNGXIFXXYFNR-LBPRGKRZSA-N 391.391 0.484 0 40 GCAB COC(=O)CCCNC(=O)NCC1=N[C@@H]2[C@@H](C=NN2c2ccccc2)C(=O)N1 13685426 MHNFIZKAJNOFQM-CJNGLKHVSA-N 386.412 0.215 0 40 GCAB NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15957825 DSSCUBXFHQNDJP-BCEDRHLLSA-N 382.420 0.225 0 40 GCAB biogenic CCCn1cc(S(=O)(=O)N2C[C@H]3CN(C)CC[C@@]3(NC(C)=O)C2)c(C)n1 19713666 UDOZPUJLCZGNLB-NVXWUHKLSA-N 383.518 0.432 0 40 GCAB CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 19830867 XSBGTWOLYHUERP-QWHCGFSZSA-N 380.422 0.729 0 40 GCAB biogenic COc1ccc(C(=O)N2CCNC(=O)C2)cc1S(=O)(=O)N1CCCC[C@@H]1C 23418902 WAVMLWQHGYXDNO-ZDUSSCGKSA-N 395.481 0.830 0 40 GCAB NC(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 32908379 MEGKGPHOUOCLGP-CQSZACIVSA-N 392.887 0.754 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1 46034144 VWQCUXOOXWYFKT-UHFFFAOYSA-N 379.490 0.245 0 40 GCAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cccc2ccccc12 62725324 BLLDREJCXJOWEZ-KNJMJIDISA-N 389.404 0.733 0 40 GCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CCO2)cn1 97012570 HVBMJCLGOZLXAP-INIZCTEOSA-N 391.453 0.373 0 40 GCAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 225513519 RTJSIICNDLHPBO-GRLWTPEZSA-N 383.489 0.819 0 40 GCAB biogenic,in-vitro O=c1c(=O)n2c(nn1Cc1ccccn1)[C@]1(CCN(Cc3cccnc3)C1)CC2 306133251 MGSDCNUYVAWELF-OAQYLSRUSA-N 390.447 0.791 0 40 GCAB Cc1nnc2ccc(N3CC(N(C)C4=NS(=O)(=O)c5ccccc54)C3)nn12 585606824 HMSLMCGTHFQNHA-UHFFFAOYSA-N 383.437 0.702 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(S(=O)(=O)N(C)C)C2 2055814200 LXCXNKKQUZLXQZ-OAHLLOKOSA-N 386.499 0.194 0 40 GCAB C[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O 3480306 KHZGSAOTDSKWGU-NSHDSACASA-N 378.344 0.977 0 40 GCAB NC(=O)c1cc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc(C(N)=O)c1 6566622 WMEUDZYOMFCDAR-UHFFFAOYSA-N 394.387 0.899 0 40 GCAB CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(Cl)cc12 6623670 ATIPNNBWCXUITL-USACIQFYSA-N 386.784 0.188 0 40 GCAB biogenic CCN(C(=O)CSc1nc(C)cc(C)c1C(N)=O)[C@@H]1CCS(=O)(=O)C1 7719432 YIWMCRNACOQPHD-GFCCVEGCSA-N 385.511 0.925 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 8855937 SIEXEYMGXVURAX-DYZYQPBXSA-N 395.485 0.336 0 40 GCAB CN(C)C(=O)CN1C(=S)N(c2ccc(F)cc2F)[C@H]2CS(=O)(=O)C[C@@H]21 8993470 ORBAPJAJRKTUMZ-STQMWFEESA-N 389.449 0.626 0 40 GCAB CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)C1 9356345 OOYGLYKJSVCUKU-GFCCVEGCSA-N 377.445 0.794 0 40 GCAB O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(C[C@H](O)CO)CC2)N1 12098596 UTCDFJSUOHRATF-FXAWDEMLSA-N 375.469 0.653 0 40 GCAB O=C(CN1C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc21)N1CCOCC1 12113144 RMCOKWPHQYJYDW-AWEZNQCLSA-N 379.438 0.045 0 40 GCAB Cc1cnc2c(c1SCC(=O)N1C[C@H](C)O[C@H](C)C1)c(=O)n(C)c(=O)n2C 18143740 LDNZIKMGEPCHFB-TXEJJXNPSA-N 392.481 0.669 0 40 GCAB CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 19501320 KLMPEXOTCITNPH-GFCCVEGCSA-N 382.486 0.594 0 40 GCAB CN(C)c1nc(N)nc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 27355786 NIFBTYOCEYOEBG-HNNXBMFYSA-N 399.455 0.004 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@@H](O)COCc3ccccc3Cl)C(=O)[C@@H]2C1 79019787 TXVPNVAZBMKZAW-OCCSQVGLSA-N 396.831 0.245 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(N2CCOCC2)cc1 96097958 AXEQFMVPLKUKPS-UHFFFAOYSA-N 395.423 0.091 0 40 GCAB Cn1cccc1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 96221220 MCCCQAKRHCMRDG-AWEZNQCLSA-N 384.392 0.881 0 40 GCAB biogenic Cn1cnc(S(=O)(=O)NCCNC(=O)c2ccccc2Br)c1 206633209 IBUAVLMVLJWHID-UHFFFAOYSA-N 387.259 0.891 0 40 GCAB Cn1c(=O)c2c(nc(Br)n2CC(=O)NC2CCCCC2)n(C)c1=O 226823148 ZWVPFPNCDDRRGL-UHFFFAOYSA-N 398.261 0.645 0 40 GCAB NC(=O)C1CCN(CCC(=O)N2CCC[C@](O)(CN3CCCC3)CC2)CC1 257338681 YYMQCLJWOPOCDF-HXUWFJFHSA-N 380.533 0.413 0 40 GCAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N[C@H]4CCS(=O)(=O)C4)C3)ncn2)n1 390826570 NJTICNIHBNXXKT-AWEZNQCLSA-N 390.469 0.019 0 40 GCAB Cc1ccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1C 408627897 RDDJCPBEWAPHNM-MRXNPFEDSA-N 383.514 0.906 0 40 GCAB Cc1ccc(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(=O)n1C 585274074 VQQIBTUCMCRTHR-UHFFFAOYSA-N 377.378 0.143 0 40 GCAB CC(C)c1cc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)on1 585291176 LHHDOVROGDIABT-MSOLQXFVSA-N 395.481 0.684 0 40 GCAB CCOc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 4495874 XVFOZGKCVXXTBD-CQSZACIVSA-N 399.403 0.860 0 40 GCAB Cc1ccnc2nc(C(=O)OCCN3C(=O)c4ccccc4S3(=O)=O)nn12 8752795 PVNLNUMGUKLTRT-UHFFFAOYSA-N 387.377 0.434 0 40 GCAB COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)cc1 9940762 WNIQREMHVJSMTE-UHFFFAOYSA-N 376.325 0.277 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(OC)c(OC)c1 10339415 ZVOXQIRMBPOFEV-CVEARBPZSA-N 391.424 0.742 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](NC(N)=O)C(C)C)CC2)cc1 10566879 IVISPCZSDZPCPL-MRXNPFEDSA-N 396.513 0.957 0 40 GCAB CC(=O)Nc1cccc(NC(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 12321556 CKUFLBPDPNSLSJ-UHFFFAOYSA-N 396.469 0.468 0 40 GCAB COc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 12528680 KPWGLGRMYSLEAK-JTQLQIEISA-N 383.455 0.066 0 40 GCAB CS(=O)(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(S(C)(=O)=O)c1 14095941 LYCRRLJRQRTHIC-UHFFFAOYSA-N 396.494 0.610 0 40 GCAB CN1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)Nc2cccc(Cl)c2)CC1 20465171 OFAPUGOYAGNORQ-LTIDMASMSA-N 398.891 0.198 0 40 GCAB biogenic,in-vitro CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1 23110781 UMGMNNSYGMKVAJ-UHFFFAOYSA-N 394.501 0.691 0 40 GCAB CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)c1ccccc1 23115266 CLMCESGCRNZTPY-CQSZACIVSA-N 386.456 0.141 0 40 GCAB O=S(=O)(NNc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 32093648 PSIZGQPDXWKVIA-UHFFFAOYSA-N 398.466 0.408 0 40 GCAB Cc1csc(=O)n1CC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 32882710 VQQVSEHSJANZNE-UHFFFAOYSA-N 390.513 0.881 0 40 GCAB COc1ccc(OC)c(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 40086682 MHXVUWQUPKBCGU-KGLIPLIRSA-N 396.465 0.356 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)cc1OC 40123013 AIWQAJSVVHYRQK-OAHLLOKOSA-N 397.497 0.631 0 40 GCAB O=c1n(Cc2ccccc2F)nc2ccc(S(=O)(=O)N3CCOCC3)cn12 49408099 PFGQBYSRHDTEPY-UHFFFAOYSA-N 392.412 0.704 0 40 GCAB O=C(O)CNC(=O)CNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 61719965 JVJPPILXSZWBJS-UHFFFAOYSA-N 394.387 0.381 0 40 GCAB CN1C(=O)CO[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 72241373 KGYPWDFQTXTEHA-DLBZAZTESA-N 381.860 0.687 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2cccnc2)N(C)S(=O)(=O)N1 72335152 AQBVMBNLOMVKRC-CABCVRRESA-N 378.458 0.020 0 40 GCAB Cc1nc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)c(-n2cccn2)n1 79048146 BPMSGGJTCYURQS-HNNXBMFYSA-N 376.486 0.588 0 40 GCAB O=C(NCCN1CCOCC1)C1=NO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 96225695 AEVZPVOBIWUDMG-HXUWFJFHSA-N 390.459 0.995 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1 101896826 PRXLPUWUZCAYBN-OAHLLOKOSA-N 387.417 0.298 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 105657721 FAEZUUDFCKEJGB-CVEARBPZSA-N 391.534 0.453 0 40 GCAB Cc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1-n1cnnn1 106209746 OWLHQXJAKMFQJJ-UHFFFAOYSA-N 377.364 0.613 0 40 GCAB O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 575617301 SHDDEBQCJVTEMJ-AWEZNQCLSA-N 378.454 0.610 0 40 GCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2c3c(nn2C)CCCC3)C1 585123315 MOZORPOWMODYPT-CYBMUJFWSA-N 383.518 0.770 0 40 GCAB CN1CCN([C@H]2CN(Cc3ccc(OCCn4cccn4)cc3)C[C@@H]2O)CC1 585270586 MWFBBPUVPSQIML-SFTDATJTSA-N 385.512 0.755 0 40 GCAB COc1ccc([C@@H]2N(NC(=O)c3ccncc3)C(=O)CS2(=O)=O)cc1F 1617814 TUSBLEDSMUAGJR-MRXNPFEDSA-N 379.369 0.830 0 40 GCAB CCS[C@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 4963015 SZULVJAZHGQZQY-RBGFHDKUSA-N 391.442 0.396 0 40 GCAB CC(=O)N[C@@H](COC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O 4990527 KQLKRKAMQRLYLO-FZKCQIBNSA-N 389.401 0.069 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(C)c1=O 5944169 XHYKMAOYNZZGMU-UHFFFAOYSA-N 375.425 0.609 0 40 GCAB C[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(S(N)(=O)=O)cc1 7987149 GLFVZOBHVRUKAI-LBPRGKRZSA-N 389.433 0.937 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CCCC3)cc1)c(=O)n2C 7988747 GTRALSXIWIIZKD-UHFFFAOYSA-N 382.424 0.673 0 40 GCAB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(N)=O 8110692 FDTZFNIXDXJIHJ-UHFFFAOYSA-N 398.169 0.071 0 40 GCAB COCCCNS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11904855 KQOJVNAQKUECAR-LLVKDONJSA-N 376.456 0.314 0 40 GCAB O=C(Cc1cccs1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12445008 JUCUQLVDGVIUQJ-UHFFFAOYSA-N 395.510 0.349 0 40 GCAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)cc(=O)oc1C)[C@@H]1CCS(=O)(=O)C1 12936394 ZFZSJKDIJBZYTH-QWHCGFSZSA-N 385.438 0.838 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)[C@H]1CCS(=O)(=O)C1 13030253 FVJUVRWPCYNYFG-NSHDSACASA-N 377.440 0.266 0 40 GCAB COC(=O)C1CCN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)CC1 13612049 MKVYJXBNLKJGNA-UHFFFAOYSA-N 384.454 0.873 0 40 GCAB Nc1nc(N)nc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)n1 18018815 LCPSLHMGMJADJM-UHFFFAOYSA-N 385.457 0.746 0 40 GCAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCOCC1 20742507 NGINUXFTHZXVRI-UHFFFAOYSA-N 381.454 0.060 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 22900855 SAFOBCOJBWEUDW-UHFFFAOYSA-N 383.470 0.672 0 40 GCAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC(C)(C)C)CC1 22931689 VEBUBTWMXZSAIO-MRXNPFEDSA-N 396.532 0.463 0 40 GCAB CCN1CCN(C(=O)[C@@H](C)N2CCCN(CC(=O)NC(C)(C)C)CC2)CC1 22932221 GJSQBPYDFYYCBI-QGZVFWFLSA-N 381.565 0.461 0 40 GCAB C/C(N[C@@H](Cc1cnc[nH]1)C(=O)O)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 25183191 GZZVJYCLCVAPCV-AYYGCFCKSA-N 397.391 0.860 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)CC1 48293177 HSFOAWQSUBEKFQ-LBPRGKRZSA-N 387.893 0.450 0 40 GCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100928546 ORPWLMJRWWIUFM-SHTIJGAHSA-N 389.433 0.468 0 40 GCAB CCCO[C@@H]1O[C@@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 504726477 VDBRYEIACQHBSB-AQDIXCGQSA-N 376.358 0.106 0 40 GCAB O=C(N[C@H]1CN(C(=O)CCc2cncnc2)[C@H]2CCCO[C@@H]12)c1cnccn1 585108483 UVGBNIPIYYBZJD-BQFCYCMXSA-N 382.424 0.388 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@]3(CO2)CN(Cc2ccncc2)CCO3)C1 2056226732 YRKAOAGIVAFOJG-MBOZVWFJSA-N 388.468 0.165 0 40 GCAB COC(=O)/C=C1\SC(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)=NC1=O 2292986 LIELRVFMFKXPRE-XNYAHFKXSA-N 387.373 0.474 0 40 GCAB CCOC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5102955 LFFKIJGKRUUMSK-NSHDSACASA-N 392.364 0.627 0 40 GCAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2O1 6759448 JLPARKVEBXCSMM-JTQLQIEISA-N 383.422 0.818 0 40 GCAB CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)cc2)CC1 6954613 RYWOWKDTDMWGHU-UHFFFAOYSA-N 384.454 0.775 0 40 GCAB C[C@]1(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCS(=O)(=O)C1 9548986 LKFOEFYYJPCKBY-ZWKOTPCHSA-N 391.449 0.073 0 40 GCAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1 10157548 QAHLLXMHQUEZSI-JKSUJKDBSA-N 394.435 0.615 0 40 GCAB C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1F 12559579 RVIJROLGPLPZKC-VIFPVBQESA-N 377.351 0.589 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 15545363 BWXXOACENCJRPS-MRVPVSSYSA-N 384.273 0.923 0 40 GCAB O=C(Nc1cnn(CC(=O)N2CCS(=O)(=O)CC2)c1)c1ccc(F)cc1 19749801 KSGTXALVMPQKTF-UHFFFAOYSA-N 380.401 0.532 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C)CC1 35060055 YATSUBXUGHXXMZ-NSHDSACASA-N 390.303 0.890 0 40 GCAB CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@H]12 44019522 CHPHKXXDQSHQKC-LOKDSWTASA-N 382.808 0.616 0 40 GCAB in-vitro O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)NCc1ccccn1 49546452 IMFXNDAKGKZPJL-UHFFFAOYSA-N 382.355 0.884 0 40 GCAB Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)no1 56997826 KZKYNZDEMFZYCT-UHFFFAOYSA-N 375.404 0.999 0 40 GCAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCN1C(=O)CSC1=O)C2=O 58567696 OFFNJWYBYNHCJD-SNVBAGLBSA-N 375.406 0.791 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@H](O)COc3ccc(Cl)cc3)C(=O)[C@@H]2C1 78752327 TZMWHBIWXHIJOC-AAEUAGOBSA-N 382.804 0.107 0 40 GCAB O=C(CCn1nnc2ccccc2c1=O)OCCCc1nc2ncccn2n1 79110417 XFETYBCAVDCYLK-UHFFFAOYSA-N 379.380 0.795 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)[C@H](C)[C@H]2C)c1 95457651 RHQZFTSBJWLCRD-VXGBXAGGSA-N 384.454 0.973 0 40 GCAB CCN1C[C@@]23CN(C(=O)Cc4cccc(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146041 RDZQVDAGZVRULT-RYRKJORJSA-N 380.466 0.642 0 40 GCAB COC(=O)c1sccc1S(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1 96380265 IBAYGQUMPBNKKZ-UHFFFAOYSA-N 381.497 0.978 0 40 GCAB Cc1oc(=O)oc1COC(=O)C1=C([C@@H]2CCCO2)S[C@@H]2[C@@H]([C@H](C)O)C(=O)N12 255981596 JQBKWZPHJOEQAO-VJEBRTDTSA-N 397.405 0.887 0 40 GCAB Cn1ccc(NC(=O)CN2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)n1 257310993 UHLUAJBGLATMPE-JQFCIGGWSA-N 376.461 0.505 0 40 GCAB COCC(=O)N1CCC2(CCc3nnc(C(=O)NCc4cccnc4)n32)CC1 306131898 KSGBCGVHKCGRQX-UHFFFAOYSA-N 384.440 0.513 0 40 GCAB Cn1c(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc(=O)n(C)c1=O 533036592 MOWVLURJHRXWMQ-UHFFFAOYSA-N 396.451 0.452 0 40 GCAB Cc1cc(C(N)=O)cc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c1 585091977 WYAZPGNBZMXODR-UHFFFAOYSA-N 382.530 0.740 0 40 GCAB COc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)cn1 1549160824 BKWQEXNUHRWAJP-AWEZNQCLSA-N 386.408 0.358 0 40 GCAB Cc1cn2nc(OCC3CCN(C(=O)c4cnc(O)n(C)c4=O)CC3)ccc2n1 1888885386 BKTZYLCRDLKGMX-UHFFFAOYSA-N 398.423 0.768 0 40 GCAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)NCc1nc(C)nc(OC)n1 2017104 YYAVDVIWOQBFAP-UHFFFAOYSA-N 395.397 0.163 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c(=O)n(C)c1=O 3333264 XIOKSXOXILKIFD-VMPITWQZSA-N 377.784 0.759 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)OC)c1 6433280 CMXJMZHNKWGFDX-UKRRQHHQSA-N 384.454 0.466 0 40 GCAB CC[C@@]1(c2ccc(NC(=O)C(=O)NCCCN(C)C)cc2)CCC(=O)NC1=O 13692815 CVWVELUNAHGEAB-FQEVSTJZSA-N 388.468 0.777 0 40 GCAB CN1CCN(c2nc(O)cc(CNC(=O)[C@H]3OCCc4ccccc43)n2)CC1 19590111 JJRZREBWOLZBDW-SFHVURJKSA-N 383.452 0.864 0 40 GCAB NC(=O)Cc1csc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 23110800 IUTAKTSZLAUTAF-ZDUSSCGKSA-N 394.478 0.963 0 40 GCAB CCN1CCN(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 24613731 KWBCRDKBZCJWTC-CQSZACIVSA-N 397.497 0.776 0 40 GCAB COCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 27915038 ZHJQPALOHLROPD-UHFFFAOYSA-N 397.453 0.532 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(=O)NC2CC2)C1 32842929 KOIVTKJIBWXAPQ-GFCCVEGCSA-N 384.458 0.087 0 40 GCAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1N1CCCC1=O 38771389 WJKYNTMFPGCMHR-UHFFFAOYSA-N 383.470 0.433 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(S(C)(=O)=O)nc1N 57478022 XJAXWVKWEANAAX-UHFFFAOYSA-N 377.831 0.957 0 40 GCAB CC(C)n1c(N2CCN(C(=O)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260214 ALQWTJNAGOPEOX-UHFFFAOYSA-N 396.451 0.967 0 40 GCAB C[C@H](C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1Cc2ccccc2C1=O 80337969 REHJQCCFJKNWSU-GDBMZVCRSA-N 391.493 0.362 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(=O)c2ccccc2o1 96097939 MINXBLNETNQQBX-UHFFFAOYSA-N 378.348 0.360 0 40 GCAB CCCO[C@H]1O[C@@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 169641963 VDBRYEIACQHBSB-FAHYXWLWSA-N 376.358 0.106 0 40 GCAB CN(C)c1cc(N2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)ncn1 248081045 CPSFIMDHUGUGCI-HNNXBMFYSA-N 375.473 0.919 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCOCC1)c1ccccn1 257213743 CIXFLHMIRRSJDK-YRXWBPOGSA-N 384.436 0.488 0 40 GCAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)Cc4ccccn4)CCO3)nc2n(C)c1=O 257242454 ICNYNJFQYLZWMU-MRXNPFEDSA-N 395.419 0.170 0 40 GCAB CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)[C@@H](N)CCC(=O)O 257318173 VMTVFKYXMUUPNG-AWEZNQCLSA-N 389.456 0.316 0 40 GCAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccco1 10157567 YTKRDAATJXWKEN-ZIAGYGMSSA-N 384.396 0.208 0 40 GCAB COc1cccc(N2C[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC2=O)c1 12321457 WNLIGHONVFRNQK-ZDUSSCGKSA-N 381.454 0.152 0 40 GCAB O=C(CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1F)NC1CC1 12760032 IZKNWMXTEKNSON-UHFFFAOYSA-N 387.408 0.513 0 40 GCAB Nc1nc(Cn2nnn(-c3ccccc3Cl)c2=O)nc(N2CCCCC2)n1 15108614 LNALTLLAQLFAMY-UHFFFAOYSA-N 387.835 0.888 0 40 GCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22877482 OBKCKXOQRZZHBO-ZBFHGGJFSA-N 396.513 0.458 0 40 GCAB NS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1 27344709 TYIGJOMMMJKGHS-UHFFFAOYSA-N 376.438 0.496 0 40 GCAB COC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OC)SC1(C)C 31688271 FPWXVXUCFHACJJ-SOUVJXGZSA-N 380.466 0.870 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1 37477415 JAZHBLMEMLVWSA-OAHLLOKOSA-N 394.497 0.550 0 40 GCAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 48229675 ALNAMKKYQNHVIY-AWEZNQCLSA-N 395.423 0.722 0 40 GCAB Cn1cc(C(=O)NC2CCN(C(=O)CCS(=O)(=O)C3CCCC3)CC2)cn1 48311642 FLOUTRHYQZSWPY-UHFFFAOYSA-N 396.513 0.888 0 40 GCAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccnc2)CC1 49512379 FXKFPLSNZQFQKM-UHFFFAOYSA-N 383.452 0.967 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 58106405 MNDULQFPEOBYME-ZDUSSCGKSA-N 380.470 0.618 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 58666404 LCELLORAVIAJGW-LFDOHDQPSA-N 393.532 0.977 0 40 GCAB CS(=O)(=O)CCN1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 89484301 LPPNZYRDVFAQCY-UHFFFAOYSA-N 389.481 0.896 0 40 GCAB CN(C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575426774 ZNQUQFCWWQICAI-JTQLQIEISA-N 396.874 0.693 0 40 GCAB O=C(CCn1cnc2ccccc2c1=O)NCCn1nc2c(cc1=O)CCC2 575621589 ZBPRFEDWORVVLL-UHFFFAOYSA-N 379.420 0.648 0 40 GCAB COc1cc2nc(N3CCN(C(=O)C[C@H](C)O)CC3)nc(N)c2cc1OC 2016010 IOSMPEJNAQZKJT-NSHDSACASA-N 375.429 0.649 0 40 GCAB in-man Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2C 3639922 PIYHYTZVBUFMQX-HNNXBMFYSA-N 382.298 0.522 0 40 GCAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cc(=O)n2ccsc2n1 8131926 BSHZFFNOLFSUTG-UHFFFAOYSA-N 392.462 0.751 0 40 GCAB CCCNC(=O)NC(=O)COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 15513655 MVXWUUBRMVNFQW-UHFFFAOYSA-N 375.381 0.728 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 36386872 ZZEXIKYSWVAQGR-UHFFFAOYSA-N 379.486 0.399 0 40 GCAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)NCC[C@H]3CCCO3)c2)CCN1 58224772 SKTARKHCHGKXJL-CQSZACIVSA-N 396.469 0.498 0 40 GCAB COc1ccc(-n2nnc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 77100306 RJMOZQBRRMSVAD-UHFFFAOYSA-N 382.380 0.862 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCCNC(N)=O)s1 78823602 XJTVXIRALRRHEG-GFCCVEGCSA-N 388.515 0.774 0 40 GCAB COC(=O)CC1CCN(C(=O)Cn2ccc3c(cnc4ccnn43)c2=O)CC1 79485883 IJUNBFPFTFIFKR-UHFFFAOYSA-N 383.408 0.846 0 40 GCAB CC(C)OC(=O)C1=C(SC2Cn3cnc[n+]3C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 95871214 DEIKUZAYKVIUMN-HBJVGIJOSA-N 393.489 0.307 0 40 GCAB O=C(O)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575424554 TYYCCEIJLXVDNE-GFCCVEGCSA-N 379.431 0.868 0 40 GCAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(S(=O)(=O)N2CCOCC2)C3)nc1 1888881852 PYWQBFXGSWFNQI-WBVHZDCISA-N 382.486 0.843 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888921748 QHWJWOPOJQTZPQ-CHWSQXEVSA-N 389.441 0.486 0 40 GCAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 2065721 TYLYBEKDQGXHDN-UHFFFAOYSA-N 399.450 0.260 0 40 GCAB CC[C@H](CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@H](CC)CO 3466569 UNJMRZHCCOQXJU-HTQZYQBOSA-N 382.301 0.667 0 40 GCAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)N1CCN(c2ccc(F)cc2)CC1 3477116 STBHKOHVDNDCHM-GOSISDBHSA-N 392.456 0.902 0 40 GCAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 7262447 RYWLEJPCLGNMIS-CYBMUJFWSA-N 381.429 0.984 0 40 GCAB CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@@H](CO)C(=O)O 9042203 ZLYPVDJDOVJXGY-FZMZJTMJSA-N 378.385 0.391 0 40 GCAB biogenic C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 12588192 RDJYHJLXCCWJFF-GJZGRUSLSA-N 383.489 0.982 0 40 GCAB COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC)cc1 12662899 YYAVVEHWOUBCRK-QZNHQWIBSA-N 378.377 0.859 0 40 GCAB COc1ccc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(OC)c1 12934892 ZJXANDDIZYJDLC-UHFFFAOYSA-N 380.422 0.999 0 40 GCAB COc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1N 13136496 OXSBITMRBPYPKX-SNVBAGLBSA-N 397.482 0.063 0 40 GCAB COCCNC(=O)CN(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 21672704 GKJOXPKTCGPJGJ-UHFFFAOYSA-N 391.877 0.376 0 40 GCAB CN(C)CCN1CN=C(NS(=O)(=O)c2ccc(Br)cc2)NC1 30874761 FHYJSSKERISSDQ-UHFFFAOYSA-N 390.307 0.465 0 40 GCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2ccc(OC(F)F)cc2)c1=O 32682498 SZFKDDNLZCTOCG-UHFFFAOYSA-N 383.355 0.435 0 40 GCAB COc1ccc([C@@H](CC(=O)N2CCC3(CC2)NC(=O)NC3=O)NC(C)=O)cc1 32881967 CAXJXRCMXWLJGY-OAHLLOKOSA-N 388.424 0.463 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nnc2n1CCCCC2 40049253 OLHNULYDECEUDO-UHFFFAOYSA-N 379.442 0.591 0 40 GCAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCC[C@H]1C(N)=O)cn2CC(=O)O 40313291 OTKKJGIVEBSWSL-HOCLYGCPSA-N 375.381 0.810 0 40 GCAB biogenic CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cc(C)n(C)n1 257308066 TVGYAQVKRVSTLA-QGZVFWFLSA-N 384.484 0.599 0 40 GCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C(=O)c1ccccc1)C2 514290231 VHVNNTFPHTUSFU-RTBURBONSA-N 392.459 0.867 0 40 GCAB biogenic,in-vitro O=C(CO[C@H]1CSC2(C1)CN(S(=O)(=O)c1cccnc1)C2)N1CCCC1 575403067 IHQGORHQNGXOMX-CQSZACIVSA-N 397.522 0.969 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)COc2cc(C)ccc2C)CCO1 681943142 IYKIIAZUFYVXHR-INIZCTEOSA-N 378.425 0.843 0 40 GCAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@H](CNC(=O)[C@@H]1CCOC1)OC2 1565556436 TZVIFCUCMOLOED-HZPDHXFCSA-N 398.463 0.944 0 40 GCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1ccccc1)CC2 1772595336 NNAYKUYDBKNZDM-GOSISDBHSA-N 386.496 0.724 0 40 GCAB O=C1CN(S(=O)(=O)c2cccc3nsnc23)CCN1c1ncc(F)cn1 1775966043 QCBZGAICKMKWMY-UHFFFAOYSA-N 394.413 0.658 0 40 GCAB CC(C)C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C(=O)c2ccccc2C1=O 3299456 HZRPDCSJQZCKNW-ZDUSSCGKSA-N 398.419 0.560 0 40 GCAB CSC[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 4090872 QCFOQWVNYZAXKH-KBPBESRZSA-N 391.449 0.698 0 40 GCAB biogenic CN1C(=O)NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C1=O 9359993 OVKWEUHSOOQLRA-ZUOKHONESA-N 395.419 0.694 0 40 GCAB CCCn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n(C)c(=O)n(C)c21 11845366 QZVJBCLGPUOUCV-UHFFFAOYSA-N 383.408 0.800 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(CN2C(=O)c3cccc(N)c3C2=O)CC1 12550856 AEXRSAJJXYDSCH-UHFFFAOYSA-N 395.485 0.027 0 40 GCAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)ccc1Cl 12781942 CQIPPHVUOXJGBE-AWEZNQCLSA-N 394.902 0.897 0 40 GCAB C[C@@H]1C[C@H]1C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12925796 CJBWQWZIHNCQQZ-CZUORRHYSA-N 395.481 0.096 0 40 GCAB COc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1OC 12945007 BOFMFMPSXNNXAX-UHFFFAOYSA-N 378.472 0.406 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 14239932 XABQSMWWSWCQCW-ZDUSSCGKSA-N 398.462 0.675 0 40 GCAB COC[C@H](C)NC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19456622 QKAWKUBPMWMDIY-HNNXBMFYSA-N 388.468 0.375 0 40 GCAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cnccn2)C1 19583997 ROCOEZFVGCKOSO-CQSZACIVSA-N 392.485 0.278 0 40 GCAB C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 28259316 RIRGCFBBHQEQQH-LUYHOWAGSA-N 385.424 0.481 0 40 GCAB biogenic,in-vitro Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccc4c(c3)OCO4)ccc21 49546624 FFMUDSWUPXOMAY-UHFFFAOYSA-N 382.376 0.861 0 40 GCAB CCN1C[C@H](C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1=O 58203549 WBAPJUSHUOPDMD-QGZVFWFLSA-N 375.469 0.882 0 40 GCAB NC(=O)c1nnn(-c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)n1 70999382 MPEDRBRUFYFRPF-UHFFFAOYSA-N 379.336 0.308 0 40 GCAB Cn1c(=O)c2cc(S(=O)(=O)NC[C@H]3C[C@@H]4CC[C@@H]3C4)ccc2n(C)c1=O 100768674 JUQDYHAWPQOVFF-JHJVBQTASA-N 377.466 0.952 0 40 GCAB O=C(CN1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O)N1CCOCC1 257226621 FLJQJISPXURIFO-MJGOQNOKSA-N 387.480 0.550 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2ccccc2Br)c(=O)n(C)c1=O 3304199 XIPJPTDUDHQPDH-UHFFFAOYSA-N 396.197 0.468 0 40 GCAB C=CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 4386219 PJWYASZJHXNJAP-CYBMUJFWSA-N 385.424 0.737 0 40 GCAB NC(=O)CC[C@@H](NC(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 5944369 JYTLIFATJQSSDT-SNVBAGLBSA-N 390.318 0.662 0 40 GCAB COCCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@H]2CS(=O)(=O)C[C@H]21 9305973 QOXKWRHKQRJNHW-OLZOCXBDSA-N 384.479 0.677 0 40 GCAB CC(C)(C)NC(=O)COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787276 VFVADPCCZYXTIQ-UHFFFAOYSA-N 381.454 0.963 0 40 GCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10233502 JREPPHGHYODFJR-LBPRGKRZSA-N 380.408 0.552 0 40 GCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCCN1CCOCC1 13654284 TZLVCZMLBVIMJV-KRWDZBQOSA-N 388.468 0.726 0 40 GCAB Cc1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2c(=O)[nH]c(=O)n(C)c2n1 19716361 REPLMIBJOHEXAJ-JTQLQIEISA-N 384.440 0.642 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)N1 21474076 OEDDVUJLDZLTAH-UHFFFAOYSA-N 390.465 0.801 0 40 GCAB CCOc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)cc1 22799514 QYVZFLNGZNRBBH-UHFFFAOYSA-N 393.425 0.499 0 40 GCAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23289896 QKJUABACZRTGHR-QAPCUYQASA-N 397.516 0.678 0 40 GCAB CC(C)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)C 46035034 UHSTVSFDODTVCV-AWEZNQCLSA-N 376.500 0.871 0 40 GCAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 58298479 NDJDLXOQIWBOIR-NXEZZACHSA-N 376.381 0.152 0 40 GCAB O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1)OCc1ccccc1 77285229 KFZMOOGZFANFGH-KWCYVHTRSA-N 397.334 0.878 0 40 GCAB in-vitro Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCOCC4)sc3CC2)[nH]n1 96264782 YILBINIKJYBEMD-UHFFFAOYSA-N 375.454 0.888 0 40 GCAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)n1 225401512 UBXFXUMMMVYDEO-CQSZACIVSA-N 397.501 0.194 0 40 GCAB CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O 257296385 RCOXDQGZRUUMSJ-FPQZTECRSA-N 378.433 0.818 0 40 GCAB CC(=O)N1CCN(CC2(O)CCN(c3ccccc3)CC2)C[C@H](C(=O)O)C1 585284452 SJWFNXLKUWSKIY-KRWDZBQOSA-N 375.469 0.883 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(N)=O)CC2)c1 10263307 FYUDEFZUAWTPOZ-LBPRGKRZSA-N 382.438 0.707 0 40 GCAB Cn1c(=O)c2cc(C(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c2n(C)c1=O 11845097 CJJNFXJULFHPLU-OAHLLOKOSA-N 396.447 0.996 0 40 GCAB NC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 18422150 POLWCMVLDAKMIH-HNNXBMFYSA-N 395.371 0.632 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 19460370 DLUYZCHNJYQZSZ-UHFFFAOYSA-N 394.435 0.659 0 40 GCAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2nc3c(c(NC)n2)CNCC3)C1 19711495 NTDPVAXTKCVHRI-ZDUSSCGKSA-N 382.534 0.930 0 40 GCAB CC[C@H](C)[C@H](NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(=O)OC 21925281 KQAKGWPIEYUJTQ-UFBFGSQYSA-N 391.346 0.670 0 40 GCAB CCN1CCN([C@@H](CNC(=O)C(=O)NCc2ccncc2)c2cccnc2)CC1 22457172 PMHLHQOKPDOIOY-IBGZPJMESA-N 396.495 0.588 0 40 GCAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 29465798 XMEUXCJYEBHBLW-HNNXBMFYSA-N 387.314 0.947 0 40 GCAB COc1cc2nc(CSCC(=O)N[C@H](C)C(=O)O)[nH]c(=O)c2cc1OC 36576425 NKXGRRQLGYUKLU-MRVPVSSYSA-N 381.410 0.763 0 40 GCAB CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 36829739 LNIQFDJQTDYGQN-AWEZNQCLSA-N 389.499 0.488 0 40 GCAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 48285761 SYAJEHXCPONVOV-GFCCVEGCSA-N 379.438 0.965 0 40 GCAB O=C(O)c1cc(=O)[nH]c(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 49470259 XJELVTMCEQDUKH-UHFFFAOYSA-N 393.421 0.274 0 40 GCAB Cc1cc2c(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nccn2n1 274915415 OBJZNWGZXBPNOX-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O 585168382 KVTWEJYOMXOPTI-SFHVURJKSA-N 386.452 0.707 0 40 GCAB Cc1c([C@@H]2[C@@H](C(=O)NCC(=O)Nc3ccn(C)n3)CC(=O)N2C2CC2)cnn1C 614044544 AWSPIVOFLNRZFL-UGSOOPFHSA-N 399.455 0.269 0 40 GCAB Cc1ccn(CC(=O)N2C[C@@H](NC(=O)C3CC3)[C@H](c3ccnn3C)C2)c(=O)c1 1615546824 ICDAIRQPKMEFGN-HZPDHXFCSA-N 383.452 0.411 0 40 GCAB Cc1cc2c(N3CCN(c4ccnc(N5CCOCC5)n4)CC3)nccn2n1 1889149420 XFQWIYYLZJNDGY-UHFFFAOYSA-N 380.456 0.991 0 40 GCAB CCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 1583483 FJFVTNPVXHFGNM-AWEZNQCLSA-N 385.442 0.683 0 40 GCAB CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2c1O 5085267 FZUPKYUANHOYBD-QTDHTUKWSA-N 378.377 0.235 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(C)=O)C(C)C)CC2)cc1 8380486 PDAOMEUKEACXJD-KRWDZBQOSA-N 397.497 0.689 0 40 GCAB CCCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3CC(N)=O)n(C)c1=O 10330647 WYRVBIQMRRBNEY-UHFFFAOYSA-N 375.433 0.014 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](NC(N)=O)C(C)C)CC2)cc1 10566880 IVISPCZSDZPCPL-INIZCTEOSA-N 396.513 0.957 0 40 GCAB Cc1cccc(C)c1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12660597 FLCYUCPGAYUSQR-UHFFFAOYSA-N 399.407 0.232 0 40 GCAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 14020000 XEIZDBJBEDRJGE-UHFFFAOYSA-N 381.454 0.400 0 40 GCAB COC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 14064015 NVOHYEQOHNFLEH-GFCCVEGCSA-N 382.486 0.907 0 40 GCAB C[C@H]1CN(C(=O)Cn2cnc3c(nnn3-c3cccc(F)c3)c2=O)C[C@@H](C)O1 17246897 ZSPRJROLCISXJX-TXEJJXNPSA-N 386.387 0.752 0 40 GCAB COCCNC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(C)cc3)c21 19213430 RPEDHKSCSSGGDW-UHFFFAOYSA-N 382.424 0.946 0 40 GCAB NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 78904129 CPIHZZZGEXALGN-ZIAGYGMSSA-N 387.483 0.060 0 40 GCAB COCCC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251940 DIPSJKIOONGICB-UONOGXRCSA-N 380.470 0.558 0 40 GCAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1ccn2nnnc2c1 206254387 XMLYZAYHZIXJGE-CQSZACIVSA-N 377.364 0.933 0 40 GCAB O=S(=O)(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1ccccc1 225499888 PXLVDTOTRGXSDX-WNOSKKOXSA-N 378.454 0.244 0 40 GCAB biogenic,in-vitro Cc1cc(OCC(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)ccc1Cl 257211927 CBCSTJPDGUKWPN-LMMKCTJWSA-N 398.887 0.682 0 40 GCAB O=c1c(=O)n2c(nn1Cc1ccncc1)[C@]1(CCN(Cc3cccnc3)C1)CC2 306129561 IGXRUDCVNIAOEI-OAQYLSRUSA-N 390.447 0.791 0 40 GCAB COC(=O)c1cn([C@H]2CCN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)nn1 544882006 OLQSMPZNSNWIIQ-NSHDSACASA-N 386.368 0.875 0 40 GCAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@@H](CN1CC[C@@H](O)C1)C2 585103638 HTEWCSSRZWCSSP-HZPDHXFCSA-N 381.498 0.708 0 40 GCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCOc2ccccc2)C1 585290544 CIDDJUJGFQFEKC-MOPGFXCFSA-N 392.477 0.452 0 40 GCAB COc1cncnc1NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 653834440 MLWCDRUUAXSQPG-UHFFFAOYSA-N 376.438 0.968 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)CCO1 681940347 AADFYBJOXILQHD-AWEZNQCLSA-N 389.412 0.120 0 40 GCAB COCCN1C(=O)C[C@H](C(=O)NCc2cnccc2OC)[C@H]1c1nccn1C 1615546356 GGYVEQBQJCFLDH-YOEHRIQHSA-N 387.440 0.676 0 40 GCAB CN(C)CC(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595345 OPEMDYDXGPFDER-GOSISDBHSA-N 386.496 0.610 0 40 GCAB COc1ccc(OC)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9950421 ODAIRRFZVMTOQI-NSHDSACASA-N 395.437 0.808 0 40 GCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 12137036 QYSWBUUPPFQFFZ-HNNXBMFYSA-N 376.409 0.744 0 40 GCAB in-vitro CCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(=O)c2ccc(C)nc21 12408955 FAQYDGOFUHVDEZ-UHFFFAOYSA-N 378.454 0.442 0 40 GCAB C[C@H]1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C[C@@H](C)O1 12565666 VQNYSBSTVTZCST-OKILXGFUSA-N 386.452 0.469 0 40 GCAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)c2ccccc2O1 13265581 DJYLWKZIQBPFBS-AWEZNQCLSA-N 380.353 0.966 0 40 GCAB CCC(=O)N1C[C@@H](C(=O)NCCOC)[C@H](c2ccnc(N3CCCC3)n2)C1 19499210 PCIIUROHMAFDFS-HUUCEWRRSA-N 375.473 0.791 0 40 GCAB CS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 19572749 VWIYZGCUMKTJFX-GFCCVEGCSA-N 380.470 0.204 0 40 GCAB CC1CCN(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 24753687 ZASKMWLELHANCW-UHFFFAOYSA-N 394.541 0.897 0 40 GCAB COc1nc(C(=O)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc2ccccc12 58217736 BOKSKRBCULNPGF-GFCCVEGCSA-N 377.422 0.277 0 40 GCAB O=C(NC1CC1)c1ccn(-c2cc(SCC(=O)N3CCOCC3)ncn2)n1 67239569 SWFJWNWPIDZYAY-UHFFFAOYSA-N 388.453 0.505 0 40 GCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71279907 IQHYSKPVXLMYOE-CQSZACIVSA-N 393.440 0.097 0 40 GCAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC2(C(N)=O)CCCC2)C1=O 72286117 UWTNUSONFZCBMQ-GOSISDBHSA-N 390.415 0.755 0 40 GCAB CS(=O)(=O)NC[C@H]1CCCCN1CCCc1nnnn1-c1ccccc1 83987509 FMOXNZJZAOGCFG-MRXNPFEDSA-N 378.502 0.999 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCc2csc(-n3cccn3)n2)CC1 90703530 FABUQSFZCPMREB-UHFFFAOYSA-N 383.499 0.659 0 40 GCAB CCOC(=O)[C@H](C)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760180 LCWNTFAYKHPCAH-LBPRGKRZSA-N 388.424 0.988 0 40 GCAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 409087013 IJTSYCNEDBMKBO-UHFFFAOYSA-N 397.478 0.734 0 40 GCAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NS(C)(=O)=O)C2)n(-c2cccnc2)n1 2332241497 AJDGIDJCQLJZST-IACUBPJLSA-N 381.458 0.355 0 40 GCAB COc1ccccc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 2646948 AJWYCNNKLJWNEQ-UHFFFAOYSA-N 391.449 0.431 0 40 GCAB CC(C)(C)NC(=O)CN(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N 4128142 NFHATERMFKOTAP-UHFFFAOYSA-N 390.469 0.776 0 40 GCAB CCn1c(SCC(=O)Nc2cccc(O)c2)nc2c1c(=O)n(C)c(=O)n2C 4161094 TWGNXGIFIDCKFJ-UHFFFAOYSA-N 389.437 0.890 0 40 GCAB O=c1[nH]c(O)c([C@@H]2c3c(nc(O)[nH]c3=O)Oc3ccc4ccccc4c32)c(=O)[nH]1 4424575 AMBFQKFJAUCEPJ-LLVKDONJSA-N 392.327 0.997 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 4994465 HUBNAZBHTDOFGE-GJZGRUSLSA-N 393.440 0.861 0 40 GCAB CNC(=O)CSc1nc(-c2cccc(F)c2)nc2c1c(=O)n(C)c(=O)n2C 5056578 XCTXDVDOXURKFC-UHFFFAOYSA-N 389.412 0.671 0 40 GCAB COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 8725070 XJMWWELMNXBAPQ-UHFFFAOYSA-N 376.417 0.312 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2csc3c2CCCC3)c(=O)n(C)c1=O 9254890 AUGYQMOBKHKOLR-UHFFFAOYSA-N 377.422 0.646 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 9339084 XZPUPEKQTPDMEE-LLVKDONJSA-N 386.474 0.982 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1cccc(F)c1 11027486 XZSQGHCHONRLAW-UHFFFAOYSA-N 393.444 0.498 0 40 GCAB CCCCn1c(N)c(N(CCC)CC(=O)NC(=O)NC2CC2)c(=O)[nH]c1=O 11349902 QSHUUJXYISCOAK-UHFFFAOYSA-N 380.449 0.124 0 40 GCAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1=O 14685710 XUNIOJOPLXMYMK-UHFFFAOYSA-N 396.856 0.580 0 40 GCAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 28681293 BDRYJKCDZWWRFL-JHJVBQTASA-N 392.408 0.713 0 40 GCAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 31573449 BAJVNPSZUWVJFG-ZDUSSCGKSA-N 381.454 0.819 0 40 GCAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 40061649 RUPHUZACORZKJO-UHFFFAOYSA-N 398.462 0.908 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cscn1)C2 96050433 CDZWHOFQEGGGDA-KRWDZBQOSA-N 388.453 0.357 0 40 GCAB O=C(N[C@]1(CO)COc2ccccc2C1)[C@H]1CC(=O)N(Cc2ccccn2)C1 529822713 MSWTYKSWPGYKEG-HRAATJIYSA-N 381.432 0.913 0 40 GCAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccn(CCN3CCOCC3)n1)C[C@@H](C)O2 560041032 HVYBALTWFQOMIW-GJYPPUQNSA-N 393.488 1.016 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 575616442 PPQJDDMSPVVRTR-MRXNPFEDSA-N 383.470 0.461 0 40 GCAB CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CO)CC[C@@H]32)CC1 585138433 PHZSIVAPAIIQQA-KGLIPLIRSA-N 382.461 0.373 0 40 GCAB CCNC(=O)CN1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 620198815 NLPNPGUNUGITQC-UHFFFAOYSA-N 376.486 0.828 0 40 GCAB CCCCS(=O)(=O)N1CCC(C(=O)N2CCS(=O)(=O)CCO2)CC1 1540247918 FRHKFVDKPYPRLE-UHFFFAOYSA-N 382.504 0.017 0 40 GCAB O=C(c1cncnc1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549162991 ZFAFQYPUUXOYQL-HNNXBMFYSA-N 385.424 0.524 0 40 GCAB COc1nc(C)ncc1C(=O)N1C[C@@H](NC(=O)C2CC2)[C@H](c2nccn2C)C1 1615549361 QLDXTRRUBMCWJR-HUUCEWRRSA-N 384.440 0.662 0 40 GCAB CO[C@H](C(=O)N1CCC(O)(CNc2ncnc3c2cnn3C)CC1)C(C)C 1615610457 DGNUEVJXBZMCQL-AWEZNQCLSA-N 376.461 0.800 0 40 GCAB O=C(c1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243242 UVAXSAUHWQDOPG-HNNXBMFYSA-N 379.413 0.731 0 40 GCAB COCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@H](C)C2 4107989 NSMCZBJVNNBBBL-LLVKDONJSA-N 385.511 0.877 0 40 GCAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cc(OC)ccc1OC)C1=C(COC1=O)N2 4495942 QQMGVUPFGDNXSS-ZDUSSCGKSA-N 385.376 0.942 0 40 GCAB COCCNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5340084 DFYCIXCBYCWPEP-UHFFFAOYSA-N 375.834 0.581 0 40 GCAB O=C(CNC(=O)c1ccco1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 6083032 MVUSRVJXNAGSSV-UHFFFAOYSA-N 389.364 0.130 0 40 GCAB O=C(CSc1ncn[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 11340831 AVJNXSCIRVSXKP-UHFFFAOYSA-N 383.455 0.556 0 40 GCAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)N1CCOCC1 12903413 SVWYABJSMDNJHL-RYUDHWBXSA-N 388.417 0.283 0 40 GCAB C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(S(N)(=O)=O)cc1 14138445 JYLJYNROSYEDLN-SECBINFHSA-N 382.471 0.625 0 40 GCAB CCOC(=O)[C@H]1CCc2sc3ncn(CC(=O)NC(=O)NC)c(=O)c3c21 19797233 GOKUJAHFGXEXOU-QMMMGPOBSA-N 378.410 0.507 0 40 GCAB Cn1c(=O)c2nc(Br)n(Cc3nnsc3Cl)c2n(C)c1=O 22030993 HHGDFZDEVZLAES-UHFFFAOYSA-N 391.638 0.749 0 40 GCAB COCCn1nc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1=O 24498613 MTYASMRJYWCKIB-LBPRGKRZSA-N 379.438 0.784 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCNC1=O 35334040 XIOPXBWDPONRFB-UHFFFAOYSA-N 386.861 0.198 0 40 GCAB O=S(=O)(N1CCOCC1)N1CCN(CCCOc2ccc(F)cc2)CC1 40061059 UAJHIFKYGGDCEZ-UHFFFAOYSA-N 387.477 0.789 0 40 GCAB Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1CCS(=O)(=O)C2 41070319 YUWAPBNMYOJGKF-UHFFFAOYSA-N 392.437 0.082 0 40 GCAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@H](CCC(N)=O)C2)c1C 58307102 NHILLVKWPSDDKC-CQSZACIVSA-N 396.513 0.867 0 40 GCAB C[C@H]1CN(c2ccc(NC(=O)C3C(=O)NC(=O)NC3=O)cc2F)C[C@H](C)O1 100687412 CGIFBOXNUWLNBX-IUCAKERBSA-N 378.360 0.360 0 40 GCAB CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C=O)CC2)Oc2ccc(Cl)cc21 216239329 ABTTYXRMSKWLNU-CQSZACIVSA-N 387.845 0.168 0 40 GCAB CCn1c(C)nc2cc(C(=O)N3C[C@@H](O)[C@H](n4cc(C)c(O)nc4=O)C3)ccc21 257216476 CUQRCTUURXUMGJ-IAGOWNOFSA-N 397.435 0.993 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccnc(C)n3)CC2)CC1 257306372 SUAZJWFCOFEUOJ-HXUWFJFHSA-N 389.500 0.743 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(Cc2cnn(C)c2)C3)n1 306129845 IOSMROPONNOLCE-OAHLLOKOSA-N 377.470 0.587 0 40 GCAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CCO1 566662682 BCIVLXIPXDOPBO-IAQYHMDHSA-N 389.401 0.715 0 40 GCAB O=C(O)CN1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1=O 1595087851 ZNZMHCSMGHWEPP-ZDUSSCGKSA-N 380.832 0.707 0 40 GCAB O=C(Cn1cnnn1)N1CC[C@H]2C[C@H](CN3CCC4(CC3)CC(F)C4)O[C@H]2C1 2056226734 YSQZVTGYHPOELU-UAGQMJEPSA-N 392.479 0.893 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)OC)c1 6433292 CMXJMZHNKWGFDX-ZFWWWQNUSA-N 384.454 0.466 0 40 GCAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCOCC1 8560596 MGPMTCOUABWUHY-ZDUSSCGKSA-N 384.454 0.625 0 40 GCAB Cc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038666 RTRGNTRELGWJLU-GHMZBOCLSA-N 388.428 0.455 0 40 GCAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccc[nH]2)[C@@H](C)O)cc1 9724121 AJMVEGGDIKIXIA-WBMJQRKESA-N 380.422 0.777 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2cn3ccsc3n2)C[C@H](C)O1 40089341 SGVJQACAVADMSP-RYUDHWBXSA-N 386.499 0.494 0 40 GCAB COc1ccccc1CCNC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1C 56999901 GIZNAPSMGOSNBE-UHFFFAOYSA-N 399.495 0.947 0 40 GCAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCC(=O)Nc1ccncc1 58218626 ZEQONGZRPUYXHP-UHFFFAOYSA-N 393.403 0.798 0 40 GCAB CN1C[C@@H](C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)CC1=O 72325340 GWYGFJZOQKUUJU-QKKBWIMNSA-N 398.463 0.798 0 40 GCAB O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCO[C@@H](c2ccccc2)C1 72404292 WMCJZRHOYJWBJN-QGZVFWFLSA-N 384.436 0.680 0 40 GCAB OCCOCCOc1ccc(CNC[C@]2(O)CCN(c3cnccn3)C2)cc1 257266620 MDSXBEURHUDGDY-HXUWFJFHSA-N 388.468 0.595 0 40 GCAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704614 QOJULVVEMVXUMF-JSGCOSHPSA-N 384.454 0.908 0 40 GCAB CNC(=O)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 577930925 AOMLFMXEJSLRMF-ZDUSSCGKSA-N 381.479 0.932 0 40 GCAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 585103559 XUUPTJUHYYJFLA-IEBWSBKVSA-N 395.525 0.813 0 40 GCAB CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cccnc3OC)[C@@H](O)[C@H]2O1 604381935 VVYQEXGDEOMVDS-GRLWTPEZSA-N 379.457 0.382 0 40 GCAB biogenic,in-vitro NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 922786 OBHAIMMCHJSVSR-UHFFFAOYSA-N 399.469 0.984 0 40 GCAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)O)c12 2093285 GCZJZWBLNHVJPU-UHFFFAOYSA-N 376.365 0.360 0 40 GCAB biogenic Cc1cccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 2621460 LEVNNMNTCWMVIP-UHFFFAOYSA-N 375.450 0.731 0 40 GCAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC)[C@](C)(O)CC(=O)[C@@H]2C(=O)OC)cc1 4062075 YYAVVEHWOUBCRK-XTDOFWJNSA-N 378.377 0.859 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCC(C)C)cc1 4569450 UHDRAKZKULURQR-CQSZACIVSA-N 397.497 0.737 0 40 GCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)C1=O 11360190 JTWJRXGYICVNMB-QGZVFWFLSA-N 394.453 0.395 0 40 GCAB CC(=O)Nc1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12790990 VZLVGJVPLPPCQX-AWEZNQCLSA-N 392.437 0.749 0 40 GCAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 13060706 HFTGZYQTQLENSH-UHFFFAOYSA-N 383.451 0.837 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)cc1 14249809 CYDXWQGZYSPYIG-UHFFFAOYSA-N 385.511 0.966 0 40 GCAB CCS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 14399285 OEDYSZMIHHBNGS-CQSZACIVSA-N 384.454 0.909 0 40 GCAB O=C1CCCN1CCOCC(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19291939 DAOMNJKASSCWKO-HNNXBMFYSA-N 388.468 0.535 0 40 GCAB CCn1cc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cn1 19525108 JUOAHGIQZGFHSP-UHFFFAOYSA-N 380.474 0.701 0 40 GCAB CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 35388379 ZWSIVNJAGIOJAF-UHFFFAOYSA-N 380.470 0.095 0 40 GCAB Cn1cc([C@@H](C(=O)O)N2CCN(S(C)(=O)=O)CC2)c2cc(C(=O)O)ccc21 36359986 HCROCZODVXRRHU-HNNXBMFYSA-N 395.437 0.579 0 40 GCAB O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 42001446 OOFBKLRJRVIBTQ-AWEZNQCLSA-N 375.450 0.887 0 40 GCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204803 SOYMDWLMOCJHRF-MRXNPFEDSA-N 390.415 0.804 0 40 GCAB CC(C)n1cc(N2C[C@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cn1 96101516 LDWAUWKZTJSINS-OAHLLOKOSA-N 383.456 0.956 0 40 GCAB CCn1ncc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C 101591182 RXPBIVTWLKPDDB-ZQDZILKHSA-N 398.423 0.864 0 40 GCAB CN(C)S(=O)(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225545241 FNXWIXSLZFGMJJ-UHFFFAOYSA-N 383.449 0.761 0 40 GCAB O=C1CCCN1Cc1cn(C2CN(C(=O)[C@@H]3COc4ccccc4O3)C2)nn1 225630720 HBBCJUWAHBNDFN-KRWDZBQOSA-N 383.408 0.624 0 40 GCAB Cn1nc(-c2cccnc2)cc1CNC(=O)N1CCN(S(C)(=O)=O)C1=O 245187617 ZRBAQFDZNNBBFU-UHFFFAOYSA-N 378.414 0.389 0 40 GCAB CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@H](C(=O)N2CC(F)(F)C2)C1 306141495 VXZCAGQIIRQLCX-LLVKDONJSA-N 376.429 0.232 0 40 GCAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 575423710 QUZZKAPYKVOOAS-NEPJUHHUSA-N 398.300 0.618 0 40 GCAB CN(C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575426775 ZNQUQFCWWQICAI-SNVBAGLBSA-N 396.874 0.693 0 40 GCAB NCCC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643555549 AZEKHEYHXZWXGU-FQEVSTJZSA-N 375.469 0.854 0 40 GCAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCc1ccsc1 1549160487 DWIPGSNVCUGHOP-GVDBMIGSSA-N 379.486 0.090 0 40 GCAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)O 1591019426 LARCHVKLVBWLOD-LBPRGKRZSA-N 376.456 0.942 0 40 GCAB CN(c1nc(O)c2cnn(C)c2n1)[C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 1615058665 UHUVCQKSGUKFTL-ZDUSSCGKSA-N 384.444 0.472 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)C2CC=CC2)CC1 2055745986 XKZPAAYJVZGVED-UHFFFAOYSA-N 375.473 0.344 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccc(F)cc1 2332241993 GYPRBDGBJWVAGA-BZSNNMDCSA-N 376.432 0.252 0 40 GCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCc2ccncc2)cc1 11859350 ORDHAASMQZZOKF-UHFFFAOYSA-N 381.435 0.627 0 40 GCAB COc1ccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)c(OC)c1 13846225 OEQSWOLBLUGZBX-UHFFFAOYSA-N 393.425 0.807 0 40 GCAB C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1F)c1nc(N)nc(N(C)C)n1 14160119 OAHYEYLFEAIECR-VIFPVBQESA-N 398.420 0.242 0 40 GCAB CN1CCN(N2CN(CCCN3CCOCC3)c3nc4ccccc4n3C2)CC1 20637199 UBFMIMKHGMRGAE-UHFFFAOYSA-N 399.543 0.958 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@@H]21 32912450 MNQKWUDGRYGYTO-MFKMUULPSA-N 388.467 0.095 0 40 GCAB CS(=O)(=O)N1CCN(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 48265045 RCNDPLCIFQBNEM-HWKANZROSA-N 381.454 0.122 0 40 GCAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC1 72297603 YBIFRMUHSXVJMY-TZMCWYRMSA-N 391.497 0.932 0 40 GCAB Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(=O)c1C 77100931 SRMUYPVEKHSJRJ-UHFFFAOYSA-N 378.454 0.540 0 40 GCAB COCCN1C[C@@]23CN(C(=O)Nc4ccc(F)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146115 XHYPNQMWAPKKLJ-VYDXJSESSA-N 399.444 0.861 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccn3)C[C@@H]21)N1CCOCC1 96251025 XOCUTFOSWLMDBO-BRWVUGGUSA-N 379.482 0.176 0 40 GCAB COCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(OC)ccc21 100873179 JAAXASLJVTYHIL-ZCXUNETKSA-N 377.422 0.934 0 40 GCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cncc(Br)c1 225794868 FPIGHYBASSJMSK-UHFFFAOYSA-N 390.197 0.672 0 40 GCAB O=C1CO[C@@H](C(=O)NS(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)N1 257323991 WMSHHTJVUNSEGQ-HZPDHXFCSA-N 378.381 0.887 0 40 GCAB CN(C)C(=O)N1CCC2(CC1)Cc1nc(=O)c(C(=O)N3CCOCC3)cn1C2 306127733 GFUHMONIFKDNBC-UHFFFAOYSA-N 389.456 0.036 0 40 GCAB CS(=O)(=O)CCC(=O)N1C[C@]2(F)CN(Cc3ccccc3)C(=O)[C@]2(F)C1 306130746 JOJATRNZANHXEQ-IAGOWNOFSA-N 386.420 0.722 0 40 GCAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)[C@H]1CCS(=O)(=O)C1 575615018 BGWODCFDIMPYKJ-ZDUSSCGKSA-N 378.498 0.875 0 40 GCAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@@H](CN1CC[C@H](O)C1)C2 585103640 HTEWCSSRZWCSSP-JKSUJKDBSA-N 381.498 0.708 0 40 GCAB CCCS(=O)(=O)N1CCC(Nc2nccs2)(C(=O)NCCOC)CC1 2055739203 OOPFGIKUDKUZAR-UHFFFAOYSA-N 390.531 0.892 0 40 GCAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2cccnc2)cc1 4271450 VUSJONSDMQYCLT-QGZVFWFLSA-N 398.419 0.321 0 40 GCAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1C 4370490 QAHDYAMRWNRTII-UHFFFAOYSA-N 394.435 0.858 0 40 GCAB COC(=O)[C@@](O)(c1c(N)n(-c2ccccc2OC)c(=O)[nH]c1=O)C(F)(F)F 6658121 IDUBLFJPIBNCBG-AWEZNQCLSA-N 389.286 0.040 0 40 GCAB Cc1cc(C)n2nc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)nc2n1 9712750 NYGXOABMYBXJCZ-UHFFFAOYSA-N 387.425 0.483 0 40 GCAB CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(OC)cc3)nnc12 10969870 BGTAXHYWCWDCEX-UHFFFAOYSA-N 398.423 0.794 0 40 GCAB CCN(C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 12884073 YBQPUUYOCJELMH-CQSZACIVSA-N 394.449 0.764 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)NCc1cccs1 29818324 BTJFLFOFZWLVOX-UHFFFAOYSA-N 380.495 0.766 0 40 GCAB O=C(Cn1nc2c(c1NC(=O)c1cnccn1)CSC2)NC[C@H]1CCCO1 35596861 IBJBPJBEMBBIIM-LLVKDONJSA-N 388.453 0.967 0 40 GCAB COc1cccc(C[C@H](C(=O)N2CCC(CC(N)=O)CC2)n2nnnc2C)c1 48366509 IQQOUWJKQMNLLA-QGZVFWFLSA-N 386.456 0.888 0 40 GCAB O=C(CN1CCS(=O)(=O)CC1)N1CCCN(c2nc3ccccc3[nH]2)CC1 72280511 PEBQLWUJIWRRJZ-UHFFFAOYSA-N 391.497 0.332 0 40 GCAB Cn1c(=O)c2c(ncn2CCN[C@@H](C[S@@](C)=O)c2ccccc2)n(C)c1=O 95462661 BSBARUDAOFJNGK-PWFNWSNSSA-N 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582225585 CQPPKZJEENUJBA-CYBMUJFWSA-N 377.440 0.344 0 40 GCAB O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(CN2CCC(CO)CC2)C1 585284547 GAAQUONEIUXHLI-CTNGQTDRSA-N 376.497 0.648 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@](C)(CO)c1ccccc1 675294916 WWIYAUZWXPQNAL-GOSISDBHSA-N 393.465 0.778 0 40 GCAB O=C(CN1CCC[C@@]2(CCCN(C(=O)Cn3cnnn3)C2)C1)N1CCCC1 2056224442 JGQRMIWJFJVGAO-GOSISDBHSA-N 375.477 0.000 0 40 GCAB CNC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccc(F)cc2)N(C2CC2)C(=O)[C@H]13 5000471 ZDLFAXSVZWDOTC-FMWYQGOYSA-N 399.422 0.501 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NNc2nc(N(C)C)nc(N(C)C)n2)cc1 8615723 JHYUQGAWTFLXCY-UHFFFAOYSA-N 394.461 0.267 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 12118930 AUJAEBIVYMRTQN-NWDGAFQWSA-N 379.442 0.413 0 40 GCAB C[C@H]1CC(=O)NN1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12813505 SGHVWWYFKYVXJB-BLMSOEDDSA-N 392.481 0.257 0 40 GCAB CC(C)[C@H](CNC(=O)c1ccnc(N2CCN(C)CC2)c1)N1CCOCC1 19662559 KTTOOCAYTSHDIR-SFHVURJKSA-N 375.517 0.920 0 40 GCAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)NC(=O)Nc1ccccc1F 22816642 FECPCJGXPRGHJZ-UHFFFAOYSA-N 391.447 0.714 0 40 GCAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N[C@@H]1CCS(=O)(=O)C1 44893412 LFEVVWXFLJSDCB-LLVKDONJSA-N 381.841 0.867 0 40 GCAB CCc1nc2ccccc2c2nn(CC(=O)N3CCNC(=O)C3(C)C)c(=O)n12 57731024 KOSAPFCKYIAVFW-UHFFFAOYSA-N 382.424 0.344 0 40 GCAB COc1ccccc1CNC(=O)CNC(=O)N1CCN(c2ncccn2)CC1 72402320 JAWSKMVGSMDVGZ-UHFFFAOYSA-N 384.440 0.633 0 40 GCAB COc1ccc(-c2noc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1OC 79501811 OMTZDPANGGAMTQ-LBPRGKRZSA-N 395.437 0.990 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccc(-c3ccccn3)n2)CC1 96098899 GSGOXRIZNAILDV-UHFFFAOYSA-N 377.470 0.733 0 40 GCAB O=c1c(NCCCN2CCOCC2)c(N2CCN(c3ccccc3)CC2)c1=O 101696992 WGSOSLUQDSWVMP-UHFFFAOYSA-N 384.480 0.743 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@@H]3OC[C@H](CCOc4ccccn4)[C@@H]3C2)c1 248009033 DENMOIKNAKOMKG-KKUMJFAQSA-N 378.454 0.920 0 40 GCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(CCO)CC2)C1 585291431 OSWUPIGFIOMQII-CTNGQTDRSA-N 376.497 0.648 0 40 GCAB CN1C(=O)C[C@H](C(=O)NCc2nnnn2-c2ccccc2)[C@H]1c1cccnc1 624579773 KNAFCOOYBFMKKR-MAUKXSAKSA-N 377.408 0.893 0 40 GCAB CN1CCO[C@@H](CNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)[C@@H]1c1cnn(C)c1 661299769 FVVULZIKNNIFLX-NCOADZHNSA-N 390.488 0.244 0 40 GCAB COCCN1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)c4csnn4)CC3)[C@H]2C1 1565548644 GSJYMGAODDPXLC-STQMWFEESA-N 379.486 0.179 0 40 GCAB CC(C)NC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)CN(C)C(C)C)C1)OC2 1565553923 MTSGYCUOZWSHQA-SFHVURJKSA-N 378.477 0.258 0 40 GCAB Cn1cnc([C@@H]2CN(Cc3cn(CC4CC4)nn3)C[C@H]2C(=O)N2CCOCC2)c1 1614996105 YWRNSYLAAWMKOE-QZTJIDSGSA-N 399.499 0.496 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1=O 1888866926 YUXUQAMASWIBGA-BETUJISGSA-N 376.438 0.243 0 40 GCAB Cn1c(=O)c(C(=O)COC(=O)c2ccco2)c(N)n(Cc2ccccc2)c1=O 3575633 UMHJDVJSYJNMLP-UHFFFAOYSA-N 383.360 0.810 0 40 GCAB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 6027525 ICVZVKZQTQGVPY-NSHDSACASA-N 395.355 0.931 0 40 GCAB CCOC(=O)COc1ccccc1/C=C1\NC(=S)N(CC(=O)OC)C1=O 6955125 YCIONQJXHZXZMA-WQLSENKSSA-N 378.406 0.859 0 40 GCAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 9516271 QOYREDHJWIZQBV-KRWDZBQOSA-N 396.415 0.416 0 40 GCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3cnccn3)CC1)C2=O 11543249 RTVYGDDYDZSRAN-AUUYWEPGSA-N 386.456 0.626 0 40 GCAB CC1(C)C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12234774 WCFJBHODBHODHA-UHFFFAOYSA-N 397.472 0.963 0 40 GCAB Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCC(C)CC2)cc1 12757452 CKYPHCSUXSYFDI-UHFFFAOYSA-N 375.516 0.840 0 40 GCAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)N1CCOCC1 12903424 SVWYABJSMDNJHL-NWDGAFQWSA-N 388.417 0.283 0 40 GCAB CN(C)CCn1nc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)c2cccnc21 19583191 WHKKQZSKCYTVDU-OAHLLOKOSA-N 384.484 0.931 0 40 GCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 19818992 RTXLKGLZROPDRL-UHFFFAOYSA-N 385.467 0.812 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21976500 NFMICXAUKWYUJO-YPMHNXCESA-N 386.408 0.329 0 40 GCAB CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 40072518 MNPKNMAVXWBISR-UHFFFAOYSA-N 384.458 0.487 0 40 GCAB Cn1nnnc1SCC(=O)NCCn1nc(-c2cccs2)ccc1=O 42379644 BIWDNLFHSXWKQJ-UHFFFAOYSA-N 377.455 0.404 0 40 GCAB NC(=O)C1CCN(C(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)CC1 44965636 AMWAFLIOTDLDBB-UHFFFAOYSA-N 387.484 0.624 0 40 GCAB CN(C(=O)COC(=O)[C@H]1CSc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 62582520 KWKADPQCZZHMJA-WCQYABFASA-N 385.463 0.728 0 40 GCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(S(=O)(=O)C2CC2)C1 70839100 VQOQYHALEOUNBR-UHFFFAOYSA-N 392.437 0.044 0 40 GCAB CN(C)C(=O)[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 95349244 BSTWENNYPYPAFQ-GJZGRUSLSA-N 375.404 0.325 0 40 GCAB O=C(/C=C/c1cncc(O)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 96000717 TUYVDJFVBYQYRW-CWDCEQMOSA-N 381.454 0.453 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@]2(CNC(=O)C2)C1 96143304 KFJDIDCTZAIYNM-INIZCTEOSA-N 385.873 0.564 0 40 GCAB CC(C)C(=O)NCCNC(=O)c1ccnc(C(=O)NCCNC(=O)C(C)C)c1 97002763 PAXHCAHHBAZUJQ-UHFFFAOYSA-N 391.472 0.086 0 40 GCAB COc1ccc(OC)c(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c1 408602881 DCGWQFFKCLXBGX-UHFFFAOYSA-N 396.469 0.873 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585284872 ABSMEJQOUIEKLB-HXUWFJFHSA-N 396.459 0.641 0 40 GCAB CS(=O)(=O)c1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3)[C@H]2O)cc1 952844931 UXCMPROUCJSLTC-OVYGPGRDSA-N 379.438 0.102 0 40 GCAB biogenic,in-vitro Cn1ccnc1S(=O)(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888898027 OMZSIVMKCHPZGL-UHFFFAOYSA-N 376.442 0.943 0 40 GCAB CC(C)NC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 3017370 BUNXUFVBOFTIDB-AWEZNQCLSA-N 387.433 0.204 0 40 GCAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 6509256 KSDLNCXTCBCMLX-OAHLLOKOSA-N 385.461 0.067 0 40 GCAB CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccc(F)cc2)c(=O)[nH]c1=O 6784953 XNLCSTRLPWVRCA-UHFFFAOYSA-N 391.403 0.421 0 40 GCAB COc1ccc(CNC(=O)CNC(=O)CNC(=O)c2ccco2)cc1OC 8134243 TVQPIYNUMPFGLU-UHFFFAOYSA-N 375.381 0.459 0 40 GCAB COCCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904699 TYOJQGMZRFEQHN-UHFFFAOYSA-N 390.483 0.685 0 40 GCAB C[C@@H](C(=O)OCC(=O)NC(=O)c1cccn1C)N1C(=O)c2ccccc2C1=O 15221229 APPMAGIUVLOAFD-NSHDSACASA-N 383.360 0.509 0 40 GCAB COc1ccc(CN(C2CC2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 15332297 YGOZBPHQUMPTFT-UHFFFAOYSA-N 379.438 0.446 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(OC)cc1OC 18077593 BNNBASGYHBCGJM-CVEARBPZSA-N 391.424 0.742 0 40 GCAB C[C@H]1CCCCN1C(=O)COC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 21444100 HIMSIZDASWEOLV-LBPRGKRZSA-N 386.408 0.440 0 40 GCAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 21615664 SSUMAMDIYWUCCA-ZETCQYMHSA-N 392.466 0.876 0 40 GCAB COc1cccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 31437152 JDONHKPJCRKMNV-CYBMUJFWSA-N 379.438 0.477 0 40 GCAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 32860402 HQHRKYFMGQHJKV-MOPGFXCFSA-N 398.525 0.691 0 40 GCAB CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@H](C)O)c2cc(Br)ccc21 101344315 IMKPOKLMVZNCMW-QPUJVOFHSA-N 384.230 0.470 0 40 GCAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408548897 NAKNEEYHOAJFJU-KPKJPENVSA-N 392.364 0.703 0 40 GCAB CN1CC(=O)N(c2cccc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)c2)C1=O 515244443 GQVGYQGCKQUKQJ-LJQANCHMSA-N 399.407 0.744 0 40 GCAB COc1cc([C@@H](CC(=O)N[C@@H](C)C(N)=O)c2oc(C)cc(=O)c2O)ccc1O 524729862 MEFZUWCUDMLPQB-CMPLNLGQSA-N 390.392 0.880 0 40 GCAB biogenic O=C1CC(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)CC(=O)N1 575414595 BYJMYMLHODXNQM-CQSZACIVSA-N 382.413 0.567 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101055 ACGAFYACDZJQJH-YJBOKZPZSA-N 392.481 0.496 0 40 GCAB COCCn1nccc1C(=O)N1CCC[C@@]2(CCN2CC(=O)N2CCCC2)C1 585102130 SSPCRZZETHJTTJ-HXUWFJFHSA-N 389.500 0.832 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CC[C@@H]2CN(S(=O)(=O)C3CC3)CCO[C@@H]2C1 1565548686 HHKVYZQALFIQCC-CXAGYDPISA-N 397.472 0.805 0 40 GCAB CCCCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 2652931 XYPXBYOHTXJNNE-UHFFFAOYSA-N 389.408 0.885 0 40 GCAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@H](OCC(N)=O)CO[C@H]34)n2)cc1 5434158 XTKZICXPTPVZST-BURFUSLBSA-N 386.408 0.601 0 40 GCAB biogenic,in-vitro COc1ccc(N2CCn3c2nn(CC(=O)Nc2cc(C)on2)c(=O)c3=O)cc1 8849230 WNMWPKSKVHHNQD-UHFFFAOYSA-N 398.379 0.500 0 40 GCAB CCn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 17077716 QWWCLSHJQWSNQJ-LOWDOPEQSA-N 380.401 0.096 0 40 GCAB COCC(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 19450151 BWNIDRFHVCMEKE-GJZGRUSLSA-N 391.472 0.026 0 40 GCAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CC3)CC1)C2=O 19699505 XSUKQLBOFPJYGH-UHFFFAOYSA-N 392.456 0.930 0 40 GCAB CCOC(=O)N1CCC(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 24472507 XXOCTRMYKBEIOZ-UHFFFAOYSA-N 388.424 0.817 0 40 GCAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccnc(N3CCOCC3)c1)CS2 40070996 GAJVZPOTPRPCMR-RDTXWAMCSA-N 376.482 0.988 0 40 GCAB O=C(O[C@H]1[C@@H](Oc2ccccc2CO)O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 43199457 FWPNCAYVELBDRB-ZIVNCQHPSA-N 390.388 0.222 0 40 GCAB C[C@@H](O)Cn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56966683 PCQNZSLEWKSLAQ-CQSZACIVSA-N 398.467 0.126 0 40 GCAB CC(=O)N[C@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 62725333 FRTSLPFLUVGQPA-UTBUEMAESA-N 389.404 0.733 0 40 GCAB Cn1nc2c(c1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2 71286600 RAQVWZCTDNTWFW-SECBINFHSA-N 397.482 0.271 0 40 GCAB COc1cc2nc(C)n(CC(=O)N3CCN(C(C)=O)CC3)c(=O)c2cc1OC 72403696 UDSNGRAHHMOEGM-UHFFFAOYSA-N 388.424 0.413 0 40 GCAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1 78752252 WUZURZKHWPHPPU-KBPBESRZSA-N 376.413 0.070 0 40 GCAB CCN(C)S(=O)(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 96002596 UICVRKAIMQHSOE-OAHLLOKOSA-N 398.533 0.038 0 40 GCAB CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 105050951 YPNFVZQPWZMHIF-OXGONZEZSA-N 392.426 0.823 0 40 GCAB in-vitro Nc1nc2c(c(I)cn2[C@H]2CC[C@H](CO)O2)c(=O)[nH]1 147313518 KJNOBXXCZQLWLF-IYSWYEEDSA-N 376.154 0.581 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 224671766 SBNYDBSWXGLRSQ-HNNXBMFYSA-N 383.470 0.920 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 238826537 DWUGWOWZCPNBKW-UHFFFAOYSA-N 392.437 0.686 0 40 GCAB COC(=O)c1cccc(CN2CC3(CN(CCCO)C[C@@H]4C[C@@H](O)CN43)C2)c1 514290168 UXQANVYUJVTTBT-RBUKOAKNSA-N 389.496 0.161 0 40 GCAB biogenic,in-vitro COc1ccc(COCC(=O)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cn1 585123560 ZSHPTJZQNGTUCM-GOSISDBHSA-N 376.413 0.538 0 40 GCAB O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1 585290873 WZFOTNJXVBIMKC-FPOVZHCZSA-N 376.497 0.648 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(c5nccc(OC)n5)C[C@@H]4C3)ncnc21 1888913748 BUEJRZZNZJUJFZ-KBPBESRZSA-N 396.455 0.844 0 40 GCAB O=C(CC1CCOCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243266 WMRDJOWXJBKEKM-HNNXBMFYSA-N 383.470 0.094 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2F)cc1 2638325 UFNRBNREOJNFLN-UHFFFAOYSA-N 387.414 0.390 0 40 GCAB Cc1c(S(=O)(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)cnn1C 2804877 WQYSOBNFGVPEKW-UHFFFAOYSA-N 378.414 0.786 0 40 GCAB CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)cn1 2806627 LVJBQZCKLLWBNV-CQSZACIVSA-N 380.474 0.354 0 40 GCAB CCCCCn1c(=O)c2c(nc3n2CC(C)=NN3CC(=O)OC)n(C)c1=O 10331963 LVVKITUIRBYVCP-UHFFFAOYSA-N 376.417 0.456 0 40 GCAB CCNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1cc(OC)ccc1O2 19529354 YXOBHRJPPVNAOQ-LJQANCHMSA-N 375.425 0.705 0 40 GCAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 23317473 JJIZGYOUUFBZBT-KBPBESRZSA-N 379.482 0.964 0 40 GCAB CN(CC(=O)N1CCN(C[C@@H]2CCCO2)CC1)S(=O)(=O)c1cccs1 23654427 BFJOXKXSOFAHNQ-AWEZNQCLSA-N 387.527 0.692 0 40 GCAB Cc1ccccc1N1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 25411766 PMOQUNLFTWRDDM-CQSZACIVSA-N 385.468 0.368 0 40 GCAB O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29385766 XFRBBKWXOVAMBI-UHFFFAOYSA-N 378.454 0.503 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc3c(c2)OCCO3)C[C@H](C)O1 40089348 APXHINMSUGLVIT-KBPBESRZSA-N 398.481 0.556 0 40 GCAB CCOC(=O)N1CCN(CC(=O)N2C(=O)CN(C)C(=O)c3ccccc32)CC1 40385974 IUXIONKRRXZUDW-UHFFFAOYSA-N 388.424 0.406 0 40 GCAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(OC)c1 44974201 ANFHRWYXJZWIDI-CQSZACIVSA-N 387.392 0.803 0 40 GCAB CCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 58268167 JHXQLVVFSGCFKG-OAHLLOKOSA-N 398.485 0.365 0 40 GCAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](O)C3CC3)cc2)C[C@@H](C)O1 79106383 PRSDKPGZKPDOEE-XNJGSVPQSA-N 382.482 0.985 0 40 GCAB CNC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N(C)C)CN(S(C)(=O)=O)C[C@@H]21 96143748 SUYXOXZNFXHFEE-SUMWQHHRSA-N 386.518 0.168 0 40 GCAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 108992583 ASVVZUGOWXHGFK-HUUCEWRRSA-N 397.497 0.755 0 40 GCAB CC1=NN(C)[C@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@@H]12 222252143 LAKVTKCYGVWWTR-ZWKOTPCHSA-N 385.447 0.881 0 40 GCAB CCS(=O)(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O 306124805 BZWMCBRFWRSIRJ-LBPRGKRZSA-N 375.472 0.003 0 40 GCAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(C(=O)C3CC3)C2)cs1 306128486 HBLXGNZUTDFDCA-GOSISDBHSA-N 387.465 0.502 0 40 GCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 306139088 SPADSCVSZIYPJE-CYBMUJFWSA-N 376.429 0.542 0 40 GCAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1ccnn1C)Cc1cn(C)nc12 306141492 VXYOCUINZGDRHS-UHFFFAOYSA-N 385.472 0.825 0 40 GCAB O=C(CCn1ccc(O)nc1=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575607290 ZDMXLXMYYRPZOH-GFCCVEGCSA-N 379.804 0.852 0 40 GCAB CS(=O)(=O)/C=C/CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 618254334 XLZLFRPOQXSLQF-MYWXAZLQSA-N 386.495 0.904 0 40 GCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3ncc(F)cn3)C2)C1 1142642177 WEWZEYXKSGEDAM-MKSNKDDYSA-N 376.432 0.954 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888921747 QHWJWOPOJQTZPQ-BETUJISGSA-N 389.441 0.486 0 40 GCAB Cn1cnc2c(N3CCN(c4ccnc(N5CCOCC5)n4)CC3)ncnc21 1889152065 OYNFEAKKCWUSDZ-UHFFFAOYSA-N 381.444 0.317 0 40 GCAB Cc1nc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C(N)=O)c(C)c1C 8704005 LNMSESODLGFJKX-INIZCTEOSA-N 385.511 0.891 0 40 GCAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 9939435 ULDZFQWNCWGFPE-SMDDNHRTSA-N 380.422 0.950 0 40 GCAB O=C(CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCCCCC1 14138959 ZVIVULJRYVYSAJ-UHFFFAOYSA-N 397.483 0.823 0 40 GCAB C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 24772401 VSWCUAISMDYQSS-LURJTMIESA-N 394.844 0.954 0 40 GCAB Cc1cc(C)n(CCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 27507747 JMQXETOGHPSKNG-CQSZACIVSA-N 395.485 0.172 0 40 GCAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(C(=O)c2ccco2)CC1 27976001 ADIQMPHYNZEXFV-UHFFFAOYSA-N 382.380 0.619 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 36662275 CTWXCMKFTNJDEP-UHFFFAOYSA-N 398.375 0.669 0 40 GCAB COc1ccc([C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)N2CCOCC2)cc1 39996839 KKLKEUCNLUJWJI-DOTOQJQBSA-N 382.482 0.619 0 40 GCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1cc(Cl)ccn1 72406129 SFSVYHKVBMWJRZ-UHFFFAOYSA-N 375.820 0.995 0 40 GCAB O=C(NC[C@H]1CN2CCN1CC2)c1cccc(S(=O)(=O)N2CCCC2)c1 89780745 ZLZODGICEABTIV-INIZCTEOSA-N 378.498 0.201 0 40 GCAB CCS(=O)(=O)N1CCN(CCNC(=O)C2=Cc3ccccc3OC2)CC1 96181633 HRKWFPLVXJJCPC-UHFFFAOYSA-N 379.482 0.546 0 40 GCAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccnc1-n1cncn1 103236316 ZICDWQMIPSIDMJ-HUUCEWRRSA-N 382.424 0.844 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225603840 SNBHJQXVSALHBV-UHFFFAOYSA-N 393.469 0.971 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 225679592 XSBWLFRDWUFECM-UHFFFAOYSA-N 399.450 0.038 0 40 GCAB O=C(C[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21)NCC1CCOCC1 585095325 MRSFZTCXFTZFPU-INIZCTEOSA-N 384.440 0.803 0 40 GCAB CN(C)c1n[nH]c(C2CCN(C(=O)CCn3cnc4c(N)ncnc43)CC2)n1 614463324 FVWLSZGZEUXOBG-UHFFFAOYSA-N 384.448 0.389 0 40 GCAB Cc1ccc2oc(N3CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C3)nc2c1 662891692 PBNXXMQQMMVLOZ-LBPRGKRZSA-N 383.426 0.688 0 40 GCAB Cn1nccc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055782046 CIYARRZNAFCXTB-UHFFFAOYSA-N 384.362 0.927 0 40 GCAB CCOC(=O)CN1C(=N)N(c2nc(NC(C)C)nc(NC(C)C)n2)CC1=O 2285830 PTNMCQVXJVBMFI-UHFFFAOYSA-N 378.437 0.659 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H]2O[C@@](C)(OC(C)C)O[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O 5440062 JCJBPCYHIVDESZ-URRYWWILSA-N 390.385 0.652 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)ccc1Cl 5878191 VJKMYHLMETUUAQ-LLVKDONJSA-N 390.845 0.700 0 40 GCAB CC(C)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 7425830 MQJASFVJSQBAKY-ZDUSSCGKSA-N 387.440 0.931 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2ccncc2)C1 12118913 PKPCKLPKBRFAIO-ZDUSSCGKSA-N 386.437 0.943 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(-n2cccn2)nc1 12523558 KSCLRDYMEHZDBD-UHFFFAOYSA-N 376.376 0.587 0 40 GCAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 20800146 QTEADDJOEWOOJO-CYBMUJFWSA-N 383.408 0.979 0 40 GCAB COCCNC(=O)CN1CCN(Cn2nc(NC(C)C)sc2=S)CC1 23257320 PJHJXXXQABYVLG-UHFFFAOYSA-N 388.563 0.832 0 40 GCAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 24781157 CLAQQFSJFJETGC-UHFFFAOYSA-N 379.438 0.597 0 40 GCAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCOCC3)nc1)CS2 26690868 OOCMYTFZWGLIPY-RDTXWAMCSA-N 376.482 0.988 0 40 GCAB CC(=O)Nc1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 30530220 VQHIKQUQPNYRLM-SUMWQHHRSA-N 379.438 0.812 0 40 GCAB COc1cc(OC)cc([C@@H](NS(=O)(=O)N2CCOCC2)c2nccn2C)c1 32900072 SYZWJUKZLMMGQF-MRXNPFEDSA-N 396.469 0.693 0 40 GCAB C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)N1C(=O)NC2(CCCC2)C1=O 58344142 CDBHSUMJLOCELG-HNNXBMFYSA-N 392.500 0.810 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)cc1 90591396 ZVNTVLYPMIELHN-UHFFFAOYSA-N 392.359 0.782 0 40 GCAB Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@@H]3C#N)cn2n1 116462879 LDXYBEHACFJIEL-OAHLLOKOSA-N 383.456 0.650 0 40 GCAB COc1cccc(CC(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)c1 247535061 QFKUVSPJDZVBQY-HNNXBMFYSA-N 378.454 0.567 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCn2nc(C)nc2C)CCN1Cc1ccccc1 257249117 JGWNXEWODMLGFL-SFHVURJKSA-N 384.484 0.744 0 40 GCAB CC(C)N1[C@@H]2CN(Cc3cnn(C)c3)C[C@H]2N(C)c2ncccc2S1(=O)=O 306135379 OPJHQJLESGUQBX-HZPDHXFCSA-N 390.513 0.917 0 40 GCAB Cc1ccc2nc(CN3CCS(=O)(=O)C[C@@H]3c3cnn(C)c3)cc(=O)n2c1 568779433 GUMLTDRIOVANRM-MRXNPFEDSA-N 387.465 0.708 0 40 GCAB Cn1cnnc1[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1558164475 GQWFJJBLKXKERD-OCCSQVGLSA-N 385.428 0.322 0 40 GCAB Cn1c(=O)c2c(nc(SCC(=O)Nc3cccc(F)c3)n2C)n(C)c1=O 1222730 LTCCNQIHROZZDT-UHFFFAOYSA-N 377.401 0.841 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015751 KYNISCBEGLZJEQ-UHFFFAOYSA-N 383.408 0.920 0 40 GCAB Cc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)c1C 4854804 ORLLZOQBVWHTOU-UHFFFAOYSA-N 377.426 0.717 0 40 GCAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(S(N)(=O)=O)c1 5262126 VYKSDRFVMQTFGN-UHFFFAOYSA-N 394.428 0.982 0 40 GCAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 5355049 HXJWLXIBAWCOMY-ZDUSSCGKSA-N 380.422 0.775 0 40 GCAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 9827404 NQKRXNWDCHTLTF-UHFFFAOYSA-N 392.437 0.971 0 40 GCAB CCCc1cc(O)nc(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)n1 11438515 PSBWEVXJVXWDFY-UHFFFAOYSA-N 395.441 0.188 0 40 GCAB CCN1C(=O)C(=O)N(CC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)C1=O 12764271 BGRFABIHAYRVBJ-UHFFFAOYSA-N 398.297 0.801 0 40 GCAB CC(C)C[C@@H](C(=O)OCC(=O)N1CCNC1=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13056995 ZMPOMZLZXJCSPN-MJBXVCDLSA-N 391.424 0.447 0 40 GCAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23463388 PDVDETXQYZEQQK-UHFFFAOYSA-N 382.472 0.995 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@H]21 32912449 MNQKWUDGRYGYTO-ZWNOBZJWSA-N 388.467 0.095 0 40 GCAB Cc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)s1 36359691 ZLKZEYUFVUSWKN-GFCCVEGCSA-N 395.466 0.364 0 40 GCAB O=C(NCCCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 48332837 YATHBJDHVWBGGD-QGZVFWFLSA-N 381.498 0.678 0 40 GCAB C[C@H](C(=O)Nc1ncccn1)N1CCN(c2nnnn2-c2ccccc2)CC1 58404638 BNPOOMHWVTXXFW-CQSZACIVSA-N 379.428 0.602 0 40 GCAB Cc1nc2cc(-c3nccn3C)nn2c(NC[C@H](O)CN2CCOCC2)c1C 72338521 ZXNGZUFMIGZPRW-HNNXBMFYSA-N 385.472 0.852 0 40 GCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 97015566 YXQJKMUTYPESGJ-CYBMUJFWSA-N 383.451 0.571 0 40 GCAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 100165834 RSENDLJUDZWZDY-PYTWLRIVSA-N 383.452 0.919 0 40 GCAB CC(=O)N1C[C@@H]2[C@H](CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn32)C1 306128359 GYNGQUAANFXZAB-HZPDHXFCSA-N 381.436 0.918 0 40 GCAB O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 575617310 SHDDEBQCJVTEMJ-CQSZACIVSA-N 378.454 0.610 0 40 GCAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 3531270 ODNIJZSDJRYCMK-KSSFIOAISA-N 393.465 0.537 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)C[C@H](NCc2ccccc2)C(=O)O)cc1 5258043 KPGBQWSHVNAQQD-HNNXBMFYSA-N 377.422 0.906 0 40 GCAB Cc1csc(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 8061455 KNVUGPZWYWDJNT-UHFFFAOYSA-N 399.469 0.890 0 40 GCAB CCNC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8392769 FEFJHTGFKKIOHG-GFCCVEGCSA-N 385.461 0.867 0 40 GCAB CCCc1cc(=O)[nH]c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)n1 11443559 ACTFIVLHTVZCRI-UHFFFAOYSA-N 393.469 0.550 0 40 GCAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)N2CCCC2)cc1 14182753 BMBPVKZYCNTUIC-ZDUSSCGKSA-N 395.481 0.685 0 40 GCAB CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2[S@]1=O 15919768 AYTKEKBIWRHMGU-YLRPCSSXSA-N 375.038 0.635 0 40 GCAB biogenic Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3F)CC2)cc1C(N)=O 28811886 XSDSEAOTLCUGSA-UHFFFAOYSA-N 380.445 0.770 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C(N)=O 32854693 RYLBUVCFIUKJFQ-UHFFFAOYSA-N 376.438 0.271 0 40 GCAB COc1ccc(-c2noc(CN(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 32927295 SSNZVJNCLLYWMF-CYBMUJFWSA-N 394.453 0.480 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 58367517 VRDGIEDMNZHCQI-MRXNPFEDSA-N 396.513 0.267 0 40 GCAB COc1cccc(C(=O)N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 95998324 PKXWEAPTVWXNHL-QGZVFWFLSA-N 398.467 0.777 0 40 GCAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1C(=O)C1CCN(S(C)(=O)=O)CC1 100219933 VLZDJOLZTMSLHZ-ZIAGYGMSSA-N 394.497 0.620 0 40 GCAB CN(C)C(=O)CN1C[C@H]2CCN(C(=O)c3ccncc3)CC[C@H]2S1(=O)=O 107184057 PSFSSNIYNWKXOI-HUUCEWRRSA-N 380.470 0.036 0 40 GCAB CCN1C[C@@]23CN(C(=O)NCCc4ccccc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 107185297 AUSSVCANYQWOSH-RYRKJORJSA-N 379.482 0.816 0 40 GCAB NCCCC[C@H](N)C(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1 257290688 QDYFSOQFKKCGDJ-INIZCTEOSA-N 386.500 0.534 0 40 GCAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)n(C)c(=O)n1C 257290734 QECDVDNGWRZPMX-NCLAMWEWSA-N 388.468 0.478 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCN1CCOCC1 408588718 DROZNYXENSABFO-CQSZACIVSA-N 385.486 0.119 0 40 GCAB CN(C)c1nc(CNC(=O)CNC(=O)OCc2ccccc2)nc(N(C)C)n1 575608974 ZWFGLJFYEGOIFC-UHFFFAOYSA-N 387.444 0.546 0 40 GCAB Cc1snnc1C(=O)N1Cc2nnn(C)c2[C@@H](COCCN2CCCC2)C1 585110916 ZCBZKFPDNFAQJD-CYBMUJFWSA-N 391.501 0.827 0 40 GCAB Cc1nnc2ccc(N3CC(N(C)C(=O)[C@H]4COc5ccccc5O4)C3)nn12 585607157 MDGMOWKCORLBHE-MRXNPFEDSA-N 380.408 0.920 0 40 GCAB COCCNC(=O)C1(n2ccnc2)CCN(S(=O)(=O)c2ccccc2)CC1 2055713297 VYEDJLSSJCJEPY-UHFFFAOYSA-N 392.481 0.826 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1 3375405 HQJKOZIOZPULKA-UHFFFAOYSA-N 391.405 0.246 0 40 GCAB Cn1nc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O 3378413 FXRPCTBSUXBERJ-UHFFFAOYSA-N 386.389 0.889 0 40 GCAB CCOC(=O)CNC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 5267263 FBZMWFWAXNEVMY-UHFFFAOYSA-N 386.408 0.979 0 40 GCAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 7155608 IAUCIVKRQFHAIB-VIFPVBQESA-N 390.845 0.733 0 40 GCAB COCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904697 NIGXLERUERQTIN-UHFFFAOYSA-N 376.456 0.295 0 40 GCAB O=C(COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCO2 12634304 XZNJRBWBXFWFNJ-CHWSQXEVSA-N 386.360 0.848 0 40 GCAB CC(C)c1nnc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)s1 12806225 HOGLOUUSACVRAW-SECBINFHSA-N 385.471 0.766 0 40 GCAB CS(=O)(=O)Nc1nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 13691425 SMCHAMDHOUWRSA-SECBINFHSA-N 389.480 0.585 0 40 GCAB Cc1cccc(N2C[C@H](C(=O)N3CCC4(CC3)NC(=O)NC4=O)CC2=O)c1C 24960665 KBJBMJJBWPCTLE-CQSZACIVSA-N 384.436 0.857 0 40 GCAB CCCNC(=O)COC(=O)C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC 25702497 WCYBLYHLEXUPBQ-UHFFFAOYSA-N 396.440 0.949 0 40 GCAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCN1CCOCC1 40042791 QXJNNPHTVCZAPG-UHFFFAOYSA-N 386.378 0.751 0 40 GCAB Cn1c(CNC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc(=O)n(C)c1=O 72311325 IGUSEAMXYVPROM-NSHDSACASA-N 392.847 0.060 0 40 GCAB NC(=O)[C@@H]1CC(C(=O)NC2CCN([C@H]3CCOC3)CC2)=NN1c1ccccc1 79110227 BXQFXGRBQWEUEZ-WMZOPIPTSA-N 385.468 0.476 0 40 GCAB CN(C)C(=O)CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96145100 HMFSVEBRUQBQMY-UHFFFAOYSA-N 381.498 0.870 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O 96251961 FTXZBCZIQSYOBT-QWHCGFSZSA-N 386.499 0.123 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCSc2ncn[nH]2)cc1 222880959 XQKIHBHJLXDWCP-UHFFFAOYSA-N 383.499 0.896 0 40 GCAB CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O 225399401 QWWUZAJFCIZIIQ-KKUMJFAQSA-N 383.489 0.890 0 40 GCAB biogenic,in-vitro Nc1ncc(-c2cccc([C@H]3CN(C(=O)CCN4CCOCC4)CCO3)n2)cn1 257280251 OKBZOMWRYNUSBA-GOSISDBHSA-N 398.467 0.743 0 40 GCAB O=C(CN1CCOCC1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257323633 WLFCJBOGUXSBMT-MJGOQNOKSA-N 387.480 0.550 0 40 GCAB C[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)N1CCc2ccccc2C1 561196806 KINAPCFFMBEVNE-AWEZNQCLSA-N 397.483 0.467 0 40 GCAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cn(C)nc1C)O[C@@H](C)C(=O)N2 585274218 XPUSNEJMJBUTJO-JTQLQIEISA-N 378.410 0.875 0 40 GCAB COCCN1C[C@]23CN(C(=O)/C=C/c4cccs4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565546991 DFDXCLISMBCCQA-YPGAGFOGSA-N 398.506 0.792 0 40 GCAB Cc1nc(CN2CC3(CCN(C(=O)C4CC(O)C4)CC3)OCC2=O)cs1 1565554019 OTLYTCACDOCPQX-UHFFFAOYSA-N 379.482 0.942 0 40 GCAB O=C1OC2(CCN(S(=O)(=O)N3CCOCC3)CC2)C(=O)N1c1ccccc1 1889073850 ODWUBYLHCRIFKL-UHFFFAOYSA-N 395.437 0.581 0 40 GCAB COC1(CNS(=O)(=O)Cc2ccccc2F)CCN(S(C)(=O)=O)CC1 1889217634 KLBUWFZWVBQSKK-UHFFFAOYSA-N 394.490 0.686 0 40 GCAB O=C(Cn1ccccc1=O)N1C[C@@H]2COC[C@]2(C(=O)NC2CC(F)(F)C2)C1 2055754565 BDMOIKCOHUPOLV-SJKOYZFVSA-N 381.379 0.237 0 40 GCAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(=O)[nH]n1 6583693 KATCDNABGAWJEW-UHFFFAOYSA-N 398.828 0.697 0 40 GCAB CC(C)[C@@H](C(=O)OCc1cc(=O)n(C)c(=O)n1C)N1C(=O)c2ccccc2C1=O 10539655 FPNFNOCSMMUMSV-INIZCTEOSA-N 399.403 0.448 0 40 GCAB COC(=O)c1cccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 12427761 HRZQHQZWQPYPOM-UHFFFAOYSA-N 381.388 0.803 0 40 GCAB NC(=O)C1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 22057912 HPUVJUVKTWLUGA-UHFFFAOYSA-N 375.397 0.819 0 40 GCAB CC(=O)c1c(C)cc2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 31155594 DNABNTQMDXKPON-ZIIYPAMZSA-N 378.377 0.235 0 40 GCAB biogenic,in-vitro NC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)sc2c1CCC2 31646834 KEMPOTZRRBWNBO-INIZCTEOSA-N 394.478 0.702 0 40 GCAB CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 43941667 JTMWDDUYZQBBQB-UHFFFAOYSA-N 387.889 0.744 0 40 GCAB O=C(Cn1nnc2ccccc21)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124297 XSJBVCJLIRAIOW-UHFFFAOYSA-N 390.411 0.151 0 40 GCAB Cc1n[nH]c(SCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)n1 226034741 GHWXXNFQINAMMG-UHFFFAOYSA-N 383.499 0.783 0 40 GCAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 253472294 LGBQJLKJVYDDEP-OAHLLOKOSA-N 386.404 0.932 0 40 GCAB CN1[C@@H]2CN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@@H]3CC[C@H]1[C@](C)(C2)[C@@H]3O 257231013 GEUWZBKLPZPMEW-VFJAGCFOSA-N 399.495 0.960 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cc(C)on3)CC2)CC1 257232208 GJVPMMZSMLZWJK-IBGZPJMESA-N 378.473 0.941 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ncoc3C)CC2)CC1 257260868 LEULQATWSGTEFA-LJQANCHMSA-N 378.473 0.941 0 40 GCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O 514289028 OLRPGJZGZMZIGH-UQOMUDLDSA-N 376.500 0.266 0 40 GCAB biogenic,in-vitro CN(C)c1nc(CNC(=O)CCS(=O)(=O)c2ccccc2)nc(N(C)C)n1 575607500 NYMSRWDWWJLZJX-UHFFFAOYSA-N 392.485 0.484 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 584737505 NESULBBVMBLEIN-CQSZACIVSA-N 393.469 0.583 0 40 GCAB CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)s1 681824521 SZTPVOMTXUAARJ-AWEZNQCLSA-N 397.526 0.827 0 40 GCAB CCS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3ncn4CCOC)C[C@@H]2C1 1888890256 UDFAIVRLAKNYSI-CHWSQXEVSA-N 380.474 0.190 0 40 GCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 3488490 UHPSNZNTEWZKKO-UHFFFAOYSA-N 383.426 0.520 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCO 4386244 AWLWIPPVIDPECL-UHFFFAOYSA-N 383.452 0.875 0 40 GCAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 5059469 IONAMJLOEPGMSZ-CYBMUJFWSA-N 386.470 0.867 0 40 GCAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12521044 JYMIAJMGCZBHGS-UHFFFAOYSA-N 382.423 0.446 0 40 GCAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cc[nH]n1 19749569 NPGSZQLHNHCBOP-HNNXBMFYSA-N 376.438 0.848 0 40 GCAB COCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22688495 IYHFWANMBDEBEO-AWEZNQCLSA-N 384.454 0.764 0 40 GCAB COCCNC(=O)CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1 23092591 GZDNTCQISYIWKZ-UHFFFAOYSA-N 392.485 0.010 0 40 GCAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 47342837 NDSZWHTYIMQDFU-UHFFFAOYSA-N 383.412 0.872 0 40 GCAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC(=O)N2C)cc1 96181209 NLQUKQSQUBQMRW-NVXWUHKLSA-N 379.482 0.618 0 40 GCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3ccc(CCN)cc3)CC2)OC[C@]1(C)O 257236335 HBRLVQMZPUZDOO-ICSRJNTNSA-N 389.496 0.839 0 40 GCAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257316854 VHHGMCJNEVLGGN-WRWLIDTKSA-N 385.468 0.175 0 40 GCAB COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)nn1 544881999 OLQSMPZNSNWIIQ-LLVKDONJSA-N 386.368 0.875 0 40 GCAB CCc1cc(N2CCC(NC(=O)N3C[C@@H](C(=O)OC)C[C@@H](O)C3)CC2)ncn1 591974925 FCXDUFJSBSDTMP-XJKSGUPXSA-N 391.472 0.573 0 40 GCAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2[C@@H](CCN2C(=O)CCc2cncnc2)O1 1565549034 NRKRPDZFHHLQMU-KZNAEPCWSA-N 381.436 0.879 0 40 GCAB COC(CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)OC 9420786 ZOYOUWLVMPZEGB-LBPRGKRZSA-N 393.396 0.351 0 40 GCAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NC[C@@H]1CCCO1 9660568 QKQWONHDOYVPNY-INIZCTEOSA-N 394.431 0.902 0 40 GCAB COc1ccc(CC(=O)Nc2ccn(C)n2)cc1S(=O)(=O)N1CCOCC1 18948846 XGGXLTSOYBSSPI-UHFFFAOYSA-N 394.453 0.631 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(-n3cnnn3)cc2)cc1 27976066 HLZBYRFBIGTGIV-UHFFFAOYSA-N 388.409 0.005 0 40 GCAB CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 35709031 PAIVVOHIQSWMBB-UHFFFAOYSA-N 387.889 0.749 0 40 GCAB Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)nnn1-c1ccc2c(c1)OCCO2 67135276 KNFJREKWBKWGMT-QGZVFWFLSA-N 392.437 0.654 0 40 GCAB COC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 96104232 IUUXAHPPEREHOR-UHFFFAOYSA-N 380.444 0.032 0 40 GCAB Cn1cnc(S(=O)(=O)NCCNC(=O)c2ccc(Br)o2)c1 206633446 MPWMWOPFRZULJA-UHFFFAOYSA-N 377.220 0.484 0 40 GCAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222892180 BSFICBGMOWDCPL-ZDUSSCGKSA-N 387.477 0.960 0 40 GCAB CN(C)S(=O)(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 225254422 GJADTEQSSHMWAO-CQSZACIVSA-N 383.470 0.461 0 40 GCAB O=C(Cn1nc(-n2ccc3ccccc32)ccc1=O)Nc1c[nH]c(=O)[nH]c1=O 225614236 YCZPICMXVFBPTL-UHFFFAOYSA-N 378.348 0.203 0 40 GCAB CC(=O)Nc1ccc(CC(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1 245174520 YQQFZTOEGOKLGU-UHFFFAOYSA-N 376.438 0.606 0 40 GCAB CCOC[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CCO1 527882025 PUZYQRUGKQPQNM-OAHLLOKOSA-N 377.507 0.636 0 40 GCAB Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)cs1 585290244 PHEXVXMNOVMFSV-PKARVDPGSA-N 378.498 0.637 0 40 GCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Cn2cccn2)cc1 629576512 MVWJCKZUKNBHFL-MRXNPFEDSA-N 378.454 0.322 0 40 GCAB COc1cc(NC(=O)Cn2cnc3c(nnn3C)c2=O)c(OC)cc1Cl 647136642 YJWDWOQIJZWINJ-UHFFFAOYSA-N 378.776 0.834 0 40 GCAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)CN4C(=O)CCC4=O)C[C@@H]3C2)nn1 1888855830 QJOLSSNUIRKHKT-KBPBESRZSA-N 385.468 0.818 0 40 GCAB CN(C)S(=O)(=O)N1CC[C@H]2C[C@@H](C(=O)NCCc3ccccn3)O[C@@H]2C1 2055729631 BSBRNROLZINIQL-CWRNSKLLSA-N 382.486 0.026 0 40 GCAB CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4161089 JGFCLILUAFBHMN-LLVKDONJSA-N 379.486 0.804 0 40 GCAB C[C@@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)NC(N)=O 8780489 JMYJRMSEGXVXPW-SSDOTTSWSA-N 398.422 0.038 0 40 GCAB CC(=O)Nc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 12556757 RXQCOONZRRMHMH-UHFFFAOYSA-N 384.396 0.421 0 40 GCAB O=C(CNC(=O)C(=O)NCc1ccco1)Nc1ccc(N2CCCC2=O)cc1 14170695 CRHYTFNMJMZPLU-UHFFFAOYSA-N 384.392 0.778 0 40 GCAB Cc1cccc(N2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)c1 16849975 DPNUCDYVDPUGHP-UHFFFAOYSA-N 379.482 0.986 0 40 GCAB Cn1c(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(=O)n(C)c1=O 19288724 HXCHYYOJUWKSEN-CYBMUJFWSA-N 396.451 0.778 0 40 GCAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(C=O)CC3)CC2)c1 19867829 MGDDFZWJERMKOK-UHFFFAOYSA-N 393.509 0.837 0 40 GCAB Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1 22933756 JCXOBKCKSDPLAR-KRWDZBQOSA-N 396.557 0.903 0 40 GCAB COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)NC(C)C 27689524 FDEOUAPIJZTTSG-UHFFFAOYSA-N 399.513 0.834 0 40 GCAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 30856998 XZFKAHCDASHHLZ-BRWVUGGUSA-N 388.578 0.989 0 40 GCAB CS(=O)(=O)N1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36360601 SDZLGQPMVLTJMF-INIZCTEOSA-N 395.437 0.429 0 40 GCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)NC[C@H]1CCCO1 49545895 XWIOKUNMZWXQPA-CYBMUJFWSA-N 375.360 0.467 0 40 GCAB CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 72260124 QMYNYZIASARPQG-UHFFFAOYSA-N 396.451 0.449 0 40 GCAB Cc1cnc2n(c1=O)C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)CS2 90609592 BJTKNNMIFLBFJK-LBPRGKRZSA-N 394.478 0.237 0 40 GCAB CN1CCN(C(=O)c2ccc3nnc([C@@H]4CCN(C(=O)N(C)C)C4)n3c2)CC1 96267620 UBATWIXIRSDAAI-CQSZACIVSA-N 385.472 0.588 0 40 GCAB CNS(=O)(=O)c1ccc(CCC(=O)NCCSc2nc(C)n[nH]2)cc1 222878202 ZLKAWDPFTWWGTR-UHFFFAOYSA-N 383.499 0.862 0 40 GCAB CCOC(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)c(F)cc1C 560203198 HGQRYRTWOMLPJF-GOSISDBHSA-N 383.420 0.678 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)C1=O 575619816 MIMYGAUWEWNQAE-UHFFFAOYSA-N 394.457 0.293 0 40 GCAB CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1CCOCC1 585152199 ACTKLAWCIHAYNJ-JSGCOSHPSA-N 379.394 0.537 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1)NC1CC1 604381696 LFECHLSWAADANC-TVJKQAJBSA-N 381.454 0.824 0 40 GCAB biogenic,in-vitro CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)CC1CC1)OC[C@H]2n1ccc(O)nc1=O 2037977866 RJHUWUMKMWWNML-AVRGHOLYSA-N 379.413 0.325 0 40 GCAB CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 3027872 ZAAHZNXZGQERIW-ZDUSSCGKSA-N 389.861 0.329 0 40 GCAB CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 3203094 QYDCTXWAORBHBE-UHFFFAOYSA-N 381.454 0.012 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC)n2N)c1 3308922 BYLGAMRNRHRKAI-UHFFFAOYSA-N 398.514 0.528 0 40 GCAB COC(=O)c1ccc([C@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC)cc1 4062078 YYAVVEHWOUBCRK-NRTGNBEESA-N 378.377 0.859 0 40 GCAB CCN(C(=O)COC(=O)c1ccccc1NCCO)[C@H]1CCS(=O)(=O)C1 5278634 WOVWQVPRRBPILW-ZDUSSCGKSA-N 384.454 0.283 0 40 GCAB CCn1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 6490192 PJNFZMTTYSKUHV-WVWOOGAGSA-N 376.413 0.741 0 40 GCAB O=C(NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(Br)o1 9076722 PVKGKJQARBLISL-UHFFFAOYSA-N 384.230 0.853 0 40 GCAB O=C(Nc1nnc(-c2ccco2)o1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9491066 DEPWCXYEVFDVSZ-VIFPVBQESA-N 393.381 0.434 0 40 GCAB Cn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)NCCc1c[nH]c3ccccc13)C(=O)N2 9576638 NNNTZGKJXRWOLV-ZDUSSCGKSA-N 395.419 0.350 0 40 GCAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cccc2ccccc12 10283583 BXYQVYCWPXRVII-UHFFFAOYSA-N 375.450 0.906 0 40 GCAB C[C@@H](NC(=O)c1cncnc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366240 QYELAXANJUJXKY-RHSMWYFYSA-N 383.452 0.946 0 40 GCAB Cc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 12878724 LMCYLHHIMGOTQT-ZDUSSCGKSA-N 381.429 0.916 0 40 GCAB O=C(N1CCOCC1)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 12910459 FYBHROMKHUJFKM-UHFFFAOYSA-N 391.403 0.670 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CC3)CC2)s1 24948197 OYXZRHRGBCJHHC-UHFFFAOYSA-N 386.499 0.351 0 40 GCAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 30853369 QYJNZHZQAWXNQC-CQSZACIVSA-N 375.491 0.307 0 40 GCAB O=C(CN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1)N1CCc2sccc2C1 95977340 YYNIPTZFPZOZCN-INIZCTEOSA-N 397.566 0.874 0 40 GCAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)Cc2noc3ccccc23)CC1 96104212 SCBGZCGWWFGUGQ-UHFFFAOYSA-N 389.437 0.964 0 40 GCAB CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cn3c(n2)CCCC3)cc1 97000843 MMWLCJWBJGULDE-UHFFFAOYSA-N 384.483 0.606 0 40 GCAB O=C(c1cc2cccc(F)c2[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 257210267 BTWRFYMNQDUMIX-NUJGCVRESA-N 377.416 0.576 0 40 GCAB CC(=O)N1CCC(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)CC1 575610782 AFGRQLDIVSCWMW-UHFFFAOYSA-N 398.460 0.701 0 40 GCAB CCOP(=O)(OCC)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N1CCOCC1 585152200 ACTKLAWCIHAYNJ-OCCSQVGLSA-N 379.394 0.537 0 40 GCAB Cn1nc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)ccc1=O 1888846734 AAWNXDRWVLODOV-PHIMTYICSA-N 394.357 0.798 0 40 GCAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 4861052 AVCYCHKWRYXQQT-CQSZACIVSA-N 392.485 0.979 0 40 GCAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C 4945173 BMXPRNNQNYDECI-UHFFFAOYSA-N 383.408 0.954 0 40 GCAB CCc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)s1 6198383 SSAANBTXORHZQH-UHFFFAOYSA-N 395.470 0.115 0 40 GCAB CCn1c(SCC(=O)Nc2nnc(C)s2)nc2c1c(=O)n(C)c(=O)n2C 6198439 BDMXZADLQQXAIL-UHFFFAOYSA-N 395.470 0.344 0 40 GCAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 6508165 GMIYUHYXRJBEOV-HNNXBMFYSA-N 391.449 0.949 0 40 GCAB COc1cc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc(OC)c1OC 6758480 GMQXDMQBGSORKP-CYBMUJFWSA-N 391.424 0.542 0 40 GCAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3cncn3)CC2)cc1 8993955 QBOWOZBLZIKZLV-UHFFFAOYSA-N 393.469 0.600 0 40 GCAB CN(CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 19655124 AZNCMNBSDWVKEW-HNNXBMFYSA-N 392.481 0.405 0 40 GCAB CC(=O)N[C@@H]1CN(S(=O)(=O)c2cn(CC(C)C)nc2C)C2(CCNCC2)C1 19704127 DLYCPQNHSDRLKA-INIZCTEOSA-N 397.545 0.869 0 40 GCAB COC[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 22624225 ROJJTMRJBLQCDY-LRDDRELGSA-N 386.470 0.912 0 40 GCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCN(c2cnccn2)CC1 25833958 ADSROTMXFRMZDF-UHFFFAOYSA-N 380.408 0.219 0 40 GCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 29192590 OWFSKFIQVLQPAC-HNNXBMFYSA-N 379.482 0.896 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 48261440 LOSQNDIUZDBWFH-LBPRGKRZSA-N 379.438 0.764 0 40 GCAB O=C(c1c[nH]c(=O)n(Cc2cccs2)c1=O)N1CCN(c2ncccn2)CC1 77099308 ZRYARLHGDUZBBF-UHFFFAOYSA-N 398.448 0.399 0 40 GCAB Cn1c(-c2ccccn2)nn(CCNC(=O)Cn2c(=O)oc3ccccc32)c1=O 90591075 QSKRCPZDYKIMAK-UHFFFAOYSA-N 394.391 0.368 0 40 GCAB CN(C)C1CCN(C(=O)C2=NO[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)CC1 96225673 OUYRLXSQUYITGX-IBGZPJMESA-N 386.456 0.390 0 40 GCAB C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 96812213 WSVHOMOFMQCFIV-KRWDZBQOSA-N 394.541 0.817 0 40 GCAB CCc1cnc(CCNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)s1 585123253 MMURVYTZZIRXSX-UHFFFAOYSA-N 377.474 0.985 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565544443 LBVBDZIOTZEQKC-UHFFFAOYSA-N 387.527 0.771 0 40 GCAB Cn1nccc1[C@H](NS(=O)(=O)c1cccnc1OCC(F)F)C(=O)O 1594592026 AQCKBISXGZQQTF-NSHDSACASA-N 376.341 0.563 0 40 GCAB Cc1nnc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n(N)c1=O 7471210 BTAUVQFONJZVQW-UHFFFAOYSA-N 377.426 0.182 0 40 GCAB COC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)N(C)C 8480544 DAHGXQMORGCPTQ-UHFFFAOYSA-N 382.442 0.270 0 40 GCAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1-n1cnnn1 13008712 IXVIVCWMOOQQFT-UHFFFAOYSA-N 399.388 0.664 0 40 GCAB CS(=O)(=O)Nc1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 13691426 SMCHAMDHOUWRSA-VIFPVBQESA-N 389.480 0.585 0 40 GCAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc2c(c1)OCO2 22997076 REIBBPQSGFGCGD-AWEZNQCLSA-N 379.413 0.509 0 40 GCAB Cc1nc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cn1C 89709020 MUMUHRUSXDJGSM-UHFFFAOYSA-N 379.442 0.465 0 40 GCAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)N1CCCCC1 97212421 DYWZBYVGYGCSNL-XOBRGWDASA-N 386.452 0.971 0 40 GCAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccccc3C)CC[C@@H]2O)CC1 257321406 WBNJOGFPADARPW-OALUTQOASA-N 389.496 0.890 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cc3noc4ccccc34)C[C@@H]2C1 1614935847 WVFSSYTYYZRHAW-MLGOLLRUSA-N 379.438 0.489 0 40 GCAB COCC(=O)N[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1ccnn1C 1615550951 VXYVLEYLPDAWLX-UKRRQHHQSA-N 390.415 0.695 0 40 GCAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 801711 ZKQGFZIVCIQVNK-AWEZNQCLSA-N 399.451 0.474 0 40 GCAB Nc1c(N(CCO)C(=O)/C=C/c2ccco2)c(=O)[nH]c(=O)n1Cc1ccccc1 3428443 CZVCYSZQWMYRQH-CMDGGOBGSA-N 396.403 0.799 0 40 GCAB COc1cc2c(cc1OC)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)N(C(C)=O)CC2 4029810 YVTMUWXSKACLLR-MRXNPFEDSA-N 389.408 0.301 0 40 GCAB biogenic CC(=O)Nc1nc(SCC(N)=O)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 4248923 YHFPQDURYWWRMY-UHFFFAOYSA-N 379.373 0.697 0 40 GCAB COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 6880740 PWTTYUOAFAABRM-CYBMUJFWSA-N 385.376 0.470 0 40 GCAB Cc1cnc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cn1 7780706 NHSCTMKWFOIUSN-UHFFFAOYSA-N 375.385 0.474 0 40 GCAB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc[nH]c(=O)c12 7987478 QARZSNMGNSVUIG-UHFFFAOYSA-N 392.462 0.913 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccccc2S(C)(=O)=O)NC(=O)N[C@@H]1C 8344927 AOHXTHBQDHCIAW-SNVBAGLBSA-N 396.421 0.765 0 40 GCAB COC(=O)C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 12877302 DPIDHLCVOPKZMY-OAHLLOKOSA-N 389.433 0.905 0 40 GCAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(Br)c1 13007942 XTTVCMROENULCB-ZETCQYMHSA-N 379.232 0.778 0 40 GCAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 15365595 CXEKSHZBIZJRIO-SNVBAGLBSA-N 383.426 0.141 0 40 GCAB CN(C)S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21149525 HHZGFKALCYHMJZ-UHFFFAOYSA-N 385.881 0.240 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1N1CCCC1=O 22522464 FQQPPRFSYKWBQZ-UHFFFAOYSA-N 381.454 0.708 0 40 GCAB CCN(CC)CCNCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 35314108 OQVGSORNHKCUHO-UHFFFAOYSA-N 396.557 0.759 0 40 GCAB CC(=O)c1cccc(NC(=O)CNC(=O)Cn2nnc3ccccc3c2=O)c1 36353651 MBDSUFKIUWYQIC-UHFFFAOYSA-N 379.376 0.749 0 40 GCAB COc1ccc(-c2c3c(=O)n(N4CCN(C)CC4)ccc3nc3ncnn23)cc1 38828752 SHLWBJRNWLJLOR-UHFFFAOYSA-N 391.435 0.998 0 40 GCAB CCC(CC)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)N1CCOCC1 40087039 WFRVIXQFYAFALA-MRXNPFEDSA-N 375.473 0.749 0 40 GCAB COC(=O)N1CCN(CCNC(=O)NCc2ccc(OC)c(OC)c2)CC1 44227514 LVMGKHRZZFXBNK-UHFFFAOYSA-N 380.445 0.887 0 40 GCAB CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 47430007 ZJYYAIKYUKHNEO-OAHLLOKOSA-N 388.468 0.390 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1cccc(F)c1 49410588 WYTCKZLNMIZCOL-UHFFFAOYSA-N 395.412 0.647 0 40 GCAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2nnc3n2CCCCC3)CC1 55528209 LUZRAXNFTZQTQY-IRXDYDNUSA-N 390.532 0.806 0 40 GCAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCc3nnc4n3CCC4)ccc21 58332735 SURACNHJORPCOL-UHFFFAOYSA-N 389.481 0.909 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCN(c2nccn3cnnc23)C1 575617751 WNGJSTYWEONSFH-CYBMUJFWSA-N 390.407 0.229 0 40 GCAB O=C(CNS(=O)(=O)C1CC1)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 585080133 RUQUXTQNFQISQF-AWEZNQCLSA-N 392.437 0.718 0 40 GCAB COc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1C(N)=O 1565522671 NCGGMCBDBSQXHH-CYBMUJFWSA-N 383.470 0.279 0 40 GCAB C[C@H](O)CNc1nc2c(c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)n1C 838194 DLRWPRBNAIEJDS-JTQLQIEISA-N 377.832 0.928 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCC(C(N)=O)CC2)c1 5825023 LOFAIOUDHMWMGO-UHFFFAOYSA-N 396.513 0.853 0 40 GCAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6033877 IIDHYAHIIPOWIS-VIFPVBQESA-N 387.362 0.623 0 40 GCAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)N1CCOCC1 6315242 BYMOLRCGVUULFT-UHFFFAOYSA-N 377.422 0.957 0 40 GCAB NC(=O)Cn1c(=O)n(CCC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21 6719635 NCGGRWLSPITQHY-UHFFFAOYSA-N 390.396 0.878 0 40 GCAB Cn1c(SCC(=O)N2CCNC2=O)nnc1[C@@H]1COc2ccccc2O1 9114203 KSPRQZAEZNQNID-LBPRGKRZSA-N 375.410 0.972 0 40 GCAB CCOc1ccc(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 10283625 KPXQUSHNAPAFIV-CQSZACIVSA-N 383.470 0.540 0 40 GCAB CN(C)C(=O)[C@H]1CN(C(=O)[C@H]2CCCNC2)C[C@@]12CCc1ccccc1C(=O)N2 12124925 ARQGZHVMUPDOPX-CECAUBDESA-N 398.507 0.648 0 40 GCAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2cccs2)CC1 12630799 QKELCWYYBCYIFH-ZIAGYGMSSA-N 395.506 0.963 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCc3sccc3C2)c1 12927760 VMRZNRQZGRKXKM-UHFFFAOYSA-N 381.479 0.745 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)CC1 26111800 AQJWGAHASDQWPV-UHFFFAOYSA-N 385.442 0.518 0 40 GCAB CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(Cl)cc21 52537271 KJTAQYDHXJLWHN-UHFFFAOYSA-N 395.891 0.986 0 40 GCAB C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cn1nnc2ccccc21 57731616 NRJYNQZHMZQAGH-ZDUSSCGKSA-N 378.396 0.379 0 40 GCAB COC[C@](C)(CCO)NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 75106353 WTXNKCGAJGJTDC-RDJZCZTQSA-N 376.519 0.322 0 40 GCAB O=C(CCCNC(=O)c1ccc(F)cc1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 95405235 NPJLUIJBVACWMW-BFUOFWGJSA-N 390.415 0.830 0 40 GCAB C[C@H]1CN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@@H](C)O1 306123669 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CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 4170268 RPLQCIFJGVFRAR-UHFFFAOYSA-N 382.468 0.922 0 40 GCAB CC(=O)OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4877477 VOSWRYRYGCAHQU-RUZUBIRVSA-N 386.382 0.230 0 40 GCAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1 4899793 XQHGISDMVBTGAL-ULQDDVLXSA-N 399.451 0.001 0 40 GCAB Cn1c(=O)c2c(nc3n(N4CCOCC4)c(-c4ccccc4)cn23)n(C)c1=O 5453499 ARVHMCFBYPOGNK-UHFFFAOYSA-N 380.408 0.322 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@@H]1C 5812081 CYXWKOLGGKGNDJ-SECBINFHSA-N 381.410 0.540 0 40 GCAB COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)N1CCOCC1 6160553 ACNJGDIMNAKPJY-UHFFFAOYSA-N 393.421 0.657 0 40 GCAB COCCCNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029271 QAFWYMRVASCZCO-CQSZACIVSA-N 375.468 0.414 0 40 GCAB C[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12219637 XTMNCZUZDKFPGW-WBVHZDCISA-N 399.495 0.647 0 40 GCAB O=C1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CN1Cc1ccccc1 16047034 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CNC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 96145919 CFKNQQICEVBCRH-GJZGRUSLSA-N 396.513 0.804 0 40 GCAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC(=O)N2C)cc1 96181212 NLQUKQSQUBQMRW-RDJZCZTQSA-N 379.482 0.618 0 40 GCAB COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222738899 PDPYBNPBFHBCSI-CQSZACIVSA-N 385.486 0.058 0 40 GCAB CN1CCN(c2ncc3c(n2)[C@@]2(CCN(C(=O)[C@H]4CCOC4)C2)COC3)CC1 248163811 YXZUSHGNRLWBJE-MGPUTAFESA-N 387.484 0.265 0 40 GCAB COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCN(C(C)=O)CC3)[C@@H]2O)c1 514289328 QKARWYWGFOKLHU-OKZBNKHCSA-N 392.456 0.109 0 40 GCAB biogenic,in-vitro Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccn(C)n3)C2)cnn1C 2732255 RLZAWVDGXDEEEC-CYBMUJFWSA-N 380.474 0.179 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 3303140 PMJCBHATVLMZFE-UHFFFAOYSA-N 385.298 0.725 0 40 GCAB COc1ccc(-c2nnc(SCC(=O)N3CCCC3=O)n2N)cc1OC 6557861 BTZSSZAVRPMRQM-UHFFFAOYSA-N 377.426 0.917 0 40 GCAB CC(=O)N1c2ccc(S(=O)(=O)NCCn3ncccc3=O)cc2C[C@H]1C 11856401 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CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccnn3C)C2)c(C)n1 2808648 BGDSSKKVCRMVBM-CQSZACIVSA-N 394.501 0.662 0 40 GCAB CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 4103378 QTJYCLWWLRQCFS-UHFFFAOYSA-N 379.486 0.948 0 40 GCAB COCCNC(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1 4248880 CQSURUZHVDOVKX-UHFFFAOYSA-N 377.426 0.459 0 40 GCAB CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 5126016 BJXHMFYUTFTRIO-UHFFFAOYSA-N 382.468 0.624 0 40 GCAB biogenic NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 6590486 MASVSKIWULLJAB-UHFFFAOYSA-N 389.842 0.887 0 40 GCAB O=C(CN1CCCCCC1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 9364248 RCTGCKZGNRNMPN-UHFFFAOYSA-N 379.482 0.922 0 40 GCAB Cc1cc(NC(=O)CSCC(=O)OCn2nnc3ccccc3c2=O)no1 9666418 HPLJBTMDTOBXPB-UHFFFAOYSA-N 389.393 0.961 0 40 GCAB CN(C)[C@H](CNC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 12203798 VUCZSENWCLPPGI-UONOGXRCSA-N 381.454 0.334 0 40 GCAB COc1ccc(-c2nc(CC(=O)NCC(=O)NCC(=O)O)cs2)cc1OC 20744693 IGLBMWSYVOOXMA-UHFFFAOYSA-N 393.421 0.687 0 40 GCAB Cn1ncc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1-n1cccc1 32274156 RIVQPDGIFKEQTI-UHFFFAOYSA-N 384.484 0.981 0 40 GCAB CCN(CC)C(=O)CS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 32929536 ODAAROXKLHYVBJ-UHFFFAOYSA-N 376.500 0.720 0 40 GCAB COc1cccc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CC(=O)N(C)C3)C2)c1 96143418 QPPRIJLGIDRALO-FQEVSTJZSA-N 388.468 0.983 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 223597373 ZZDZNJYMATZGPN-UHFFFAOYSA-N 391.475 0.595 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)CC1 225570996 UGPBSBDRESRBRG-MRXNPFEDSA-N 389.587 0.992 0 40 GCAB CN(C(=O)Cn1ncc2ccccc2c1=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257341703 ZLMGMRYURDXYPB-ZHALLVOQSA-N 386.452 0.079 0 40 GCAB CCn1cc(-c2noc(CNS(=O)(=O)c3cnc(NC(C)=O)s3)n2)cn1 575414286 AZNADPSKNURCHY-UHFFFAOYSA-N 397.442 0.846 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3C(=O)O)CC2)C[C@@H](C)O1 577118009 KNZMQZZUHSFZQP-GASCZTMLSA-N 397.497 0.856 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC(COc3ccccc3)C2)C1 577136363 LYYMJRNKCXGIQK-MRXNPFEDSA-N 396.513 0.978 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncnc5c4cnn5C)C3)n2)n1 585605418 FXEPDJDCADPPMJ-UHFFFAOYSA-N 391.439 0.859 0 40 GCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Br)cc1 643430871 LUSGUKZYECHEGG-LLVKDONJSA-N 376.228 0.702 0 40 GCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(NC(C)=O)cc2)nn1 1549159153 DPVMMVSYIBSKRJ-RCCFBDPRSA-N 375.429 0.301 0 40 GCAB CCCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 4065013 LQJHRLIIURBLAN-WIMVFMHDSA-N 380.393 0.233 0 40 GCAB biogenic Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4303946 ICHHNMFBRMJNJL-UHFFFAOYSA-N 380.408 0.549 0 40 GCAB CO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC)[C@@H]1NC(=O)c1ccccc1 4531124 KXCZDMXWZFGETJ-YTGMWSOZSA-N 395.408 0.666 0 40 GCAB CS(=O)(=O)NCCc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 8736049 IWMCSHKYMBEQEX-UHFFFAOYSA-N 379.438 0.418 0 40 GCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13574752 HWFXDYWQMGAYIQ-LQDQTWRSSA-N 384.436 0.471 0 40 GCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCc3sccc3C2)n(C)c1=O 14213002 ZPQUSSWWAWAPAA-UHFFFAOYSA-N 393.856 0.734 0 40 GCAB CN(C)c1nc(N)nc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)n1 16337146 BGLJLCRYZAKVRP-CYBMUJFWSA-N 380.412 0.664 0 40 GCAB O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1 16428217 AMMTYIWLINZIOP-CYBMUJFWSA-N 388.423 0.638 0 40 GCAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCCN1CCOCC1 19930762 FXOZOIPMTVYHNA-UHFFFAOYSA-N 395.525 0.898 0 40 GCAB CN1N=C(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)CCC1=O 24769074 QNQSNNOHOMRVMI-UHFFFAOYSA-N 382.424 0.176 0 40 GCAB O=C(N1CCN(S(=O)(=O)N2CCOCC2)CC1)C12CC3CC(CC(C3)C1)C2 31248108 DBOGRABGZZBIOY-UHFFFAOYSA-N 397.541 0.924 0 40 GCAB COCCCN(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 95961270 OVOVMPXTUQHPHU-IBGZPJMESA-N 376.457 0.538 0 40 GCAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)NCCN2CCOCC2)C1 95999820 UDXHJCNVAVRHMV-QGZVFWFLSA-N 381.498 0.543 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2c3ccccc3N(C)S2(=O)=O)CC1 244933307 CLNMVPBEWMIJOU-UHFFFAOYSA-N 382.442 0.488 0 40 GCAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1-n1cnnn1 245230761 YJECRINUJGJUGE-BNBDDXAPSA-N 396.407 0.641 0 40 GCAB O=C(c1cnccn1)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306123198 AHBBTSZGXTZOOV-CQSZACIVSA-N 388.449 0.718 0 40 GCAB CN(C)N([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575425566 ZYYCHSRPZONJLK-CVEARBPZSA-N 384.479 0.465 0 40 GCAB Cc1cnc(C(=O)N2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)cn1 585095286 NMJFQSISEPEOQO-CQSZACIVSA-N 377.470 0.798 0 40 GCAB C=CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1120552618 DUXFPDKLZNQFHM-UHFFFAOYSA-N 385.829 0.690 0 40 GCAB NC(=O)c1cn(C2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4NC3=O)CC2)nn1 1645505000 BIOOOQHWHFUNPB-CYBMUJFWSA-N 386.387 0.491 0 40 GCAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)N(C)C 3196035 JIWPPBBEOLOCIQ-ZWNMCFTASA-N 389.861 0.849 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 5322810 ZVLMXTDFRSMHLB-ZQIUZPCESA-N 389.452 0.848 0 40 GCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1 6099742 LZMROISBEHZMCQ-UHFFFAOYSA-N 390.845 0.606 0 40 GCAB C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)O 6602855 ZEGUMFFADBKMSG-LSPCLFAPSA-N 379.457 0.398 0 40 GCAB Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(=O)n1C 19131751 QKZDIKSGSLEMDA-OAHLLOKOSA-N 383.452 0.955 0 40 GCAB CNc1ncc(C(=O)N2CCO[C@H](C(=O)NCCc3ccccc3OC)C2)cn1 19747167 DIIDFSUHCDIMPQ-KRWDZBQOSA-N 399.451 0.727 0 40 GCAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(C=O)CC3)CC2)cc1 19867925 GPTMLAPLNRGESB-UHFFFAOYSA-N 393.509 0.837 0 40 GCAB CCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)NC2CC2)ccc1OC 29902210 NRQVQKCRZOOBHT-UHFFFAOYSA-N 384.458 0.784 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNC(=O)[C@H]3C)C2)cc1 36700550 CDCJDDLWUSHYTA-ZIAGYGMSSA-N 395.481 0.443 0 40 GCAB O=S1(=O)CC[C@@H](N(CCO)S(=O)(=O)c2ccc(Br)cc2)C1 40693024 OMSAJDXMGVUJOB-LLVKDONJSA-N 398.300 0.619 0 40 GCAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(S(C)(=O)=O)CC3)C1=O 96262696 IVKUIOXYHBIADX-KRWDZBQOSA-N 386.518 0.264 0 40 GCAB C[C@H]1Cc2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 105764575 DBOXSAVILMXOSS-ZBEGNZNMSA-N 386.495 0.704 0 40 GCAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1cccc(OC)c1)S(C)(=O)=O 220624468 HPKIFGZKQKIMDI-QGZVFWFLSA-N 399.513 0.688 0 40 GCAB CS(=O)(=O)c1ccc(CCC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1 244933156 CECWVFWNBDOOHZ-UHFFFAOYSA-N 393.465 0.566 0 40 GCAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O)NCc1ccc(F)cc1 245237765 VRKSBVLZNJQOGJ-LZWOXQAQSA-N 383.445 0.849 0 40 GCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 253490599 JJSAYZWZXCSGAL-INIZCTEOSA-N 377.470 0.386 0 40 GCAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1)C1CCOCC1 257219406 DGRALNZNNAXXEV-ZRNYENFQSA-N 390.480 0.811 0 40 GCAB O=C1CCC(=O)N1CCOCCNS(=O)(=O)c1cccc2nsnc12 575620242 RGOZBOFHRAGHIM-UHFFFAOYSA-N 384.439 0.135 0 40 GCAB O=C(NC1CS(=O)(=O)C1)[C@H]1CN(Cc2nccs2)CC12CCOCC2 585102033 ZRGWRKBKORBYIL-CYBMUJFWSA-N 385.511 0.285 0 40 GCAB Cn1cc(C(=O)N2C[C@H]3CN(CCN4CCCC4)C(=O)[C@H]3C2)c(C(F)F)n1 585107372 WAELVHFJMBXKLP-OLZOCXBDSA-N 381.427 0.984 0 40 GCAB CN1C(=O)Cn2c(nn(CCN3CCCC3)c(=O)c2=O)-c2cc(Cl)ccc21 1849770 QMNIMNZZZDRLEY-UHFFFAOYSA-N 389.843 0.798 0 40 GCAB CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)OC 4930254 QOOWVPGPQZSDLW-GFCCVEGCSA-N 377.445 0.371 0 40 GCAB CC(=O)OC[C@@H]1O[C@@H]2O[C@](C)(OC(C)C)O[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O 5440060 JCJBPCYHIVDESZ-JXMXSTLTSA-N 390.385 0.652 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)cc1 6719551 LPPPVFXJRNWCPM-UHFFFAOYSA-N 383.470 0.544 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 6955521 HKKCNAJNFWWJAV-CQSZACIVSA-N 383.470 0.963 0 40 GCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(C(=O)c2cccs2)CC1 7899764 IKDFJPHOWLFZSB-UHFFFAOYSA-N 398.444 0.736 0 40 GCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc2c(c1)OCCO2 9827351 RBOFLSZNPKKRCJ-UHFFFAOYSA-N 392.437 0.623 0 40 GCAB C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCOCC1 16322243 YQKBUPBGLLDBNB-AWEZNQCLSA-N 384.454 0.334 0 40 GCAB C[C@@H](O)CNC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1 23142250 KOJPFKIQKWFQTL-CYBMUJFWSA-N 391.497 0.496 0 40 GCAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCOCC2)CC1 23366036 OTEXBGRZMGGKEL-HNNXBMFYSA-N 378.448 0.629 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1 26149247 YWHLDZDSJMGJKY-UHFFFAOYSA-N 394.501 0.629 0 40 GCAB Cn1c(SCC(=O)NCCOc2ccccc2)nnc1N1CCOCC1 30974683 XPULOFJTNMKKQO-UHFFFAOYSA-N 377.470 0.939 0 40 GCAB CN1CCN(C(=O)c2c[nH]c(O)n2)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2 257209799 BRXSAGOTXHTPLS-MRXNPFEDSA-N 399.451 0.513 0 40 GCAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)CC[C@H](N)C(=O)O 257214100 CKMZHOUOMJVYCW-AWEZNQCLSA-N 389.456 0.316 0 40 GCAB COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408610766 VRVUTVLJESVTFH-KGLIPLIRSA-N 386.470 0.626 0 40 GCAB COC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 532507039 NXJYDOAZZLIPIT-UHFFFAOYSA-N 387.395 0.144 0 40 GCAB COC(=O)c1cc(NC(=O)N2CCC(CO)(CO)C2)cc(S(C)(=O)=O)c1 596789874 KHUVTNANNOBWSJ-UHFFFAOYSA-N 386.426 0.085 0 40 GCAB CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)O)N2c2cnn(C)c2)CC1 630654997 HYXOCUVKRLHKTG-HOTGVXAUSA-N 391.472 0.559 0 40 GCAB CS(=O)(=O)CCC(=O)NC[C@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1 1565548467 ZDDPPHZYKLOBDG-GFCCVEGCSA-N 398.485 0.074 0 40 GCAB CCOc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(OCC)cc1-n1cnnn1 1325359 OFVRNXKUOKRVPX-LBPRGKRZSA-N 397.457 0.917 0 40 GCAB CC(C)OC[C@H](O)Cn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4317896 QNZJQNVQWINAQR-CQSZACIVSA-N 393.488 0.600 0 40 GCAB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 6027524 ICVZVKZQTQGVPY-LLVKDONJSA-N 395.355 0.931 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)NCCCCOc2ccccc2)n(C)c1=O 8778474 MGCPPZZWCRVMOV-UHFFFAOYSA-N 385.424 0.409 0 40 GCAB Cc1ccn2c(=O)cc(COC(=O)C3CCN(S(C)(=O)=O)CC3)nc2c1 9986251 UHNMDUQTVKOPQD-UHFFFAOYSA-N 379.438 0.718 0 40 GCAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)CN3CSCC3=O)ncc2C1 19018516 HMXJDORILRXMFM-OAHLLOKOSA-N 389.481 0.578 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 19581238 CQEOTGFSHMUALA-CQSZACIVSA-N 376.432 0.411 0 40 GCAB Cc1c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CN3CCCC3)CC2)cnn1C 19661063 VVLDLOONZILRSQ-CQSZACIVSA-N 397.545 0.730 0 40 GCAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N1CCN(CCO)CC1 20650623 DRTLSLCFXNLGEZ-NTCAYCPXSA-N 375.450 0.859 0 40 GCAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(O)CC1 23993151 KXJKTAZAAPWOMP-AWEZNQCLSA-N 397.497 0.491 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)NCCn1nc(-c2ccco2)ccc1=O 38679979 YQZKESRLCHWPJC-UHFFFAOYSA-N 392.375 0.425 0 40 GCAB NC(=O)CNC(=O)c1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1 40119350 QOEQOKAUEQMIEM-UHFFFAOYSA-N 382.420 0.338 0 40 GCAB COc1cccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 40121367 GWEZQCGWKKKJBZ-HUUCEWRRSA-N 380.466 0.390 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)CN(Cc2cccnc2)C3=O)c1 96202878 XLZKYXQIQHVVOT-UHFFFAOYSA-N 375.454 0.628 0 40 GCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCN1CCc1ccccc1 257272130 NBEZHSGZHXMSBY-GOSISDBHSA-N 397.479 0.053 0 40 GCAB Cc1nc2ccc(C(=O)N3C[C@H](O)[C@@H](n4cnc5c(N)nc(N)nc54)C3)cc2[nH]1 257343071 ZRJHOYSJOLWPLS-STQMWFEESA-N 393.411 0.233 0 40 GCAB COCCN1CC[C@]2(CN(C(=O)c3ccnn3C)C[C@H]2c2cn(C)cn2)C1=O 306141036 VJNRHNGWHLYVKE-IFXJQAMLSA-N 386.456 0.258 0 40 GCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1OC 409393774 XZOXLMVMRXYGHP-LLVKDONJSA-N 399.469 0.095 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(CC2CCOCC2)CC1 2055746047 FEKQRTFDBIMMKT-UHFFFAOYSA-N 379.505 0.278 0 40 GCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccc(F)cc1F 2332241985 DNKLUUQQGOVJPK-BQFCYCMXSA-N 394.422 0.391 0 40 GCAB NC(=O)C1CCN(C(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)CC1 12440096 ROEAIISAFQAPEY-UHFFFAOYSA-N 389.437 0.350 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(O)c(OCC)c1 13535607 ZWKBYKAJACRJQX-HZPDHXFCSA-N 391.424 0.829 0 40 GCAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 19017285 XTCSJJIFTXWVDF-PBHICJAKSA-N 385.468 0.913 0 40 GCAB O[C@H]1[C@H](NCc2ccncc2)[C@H]2CO[C@H](O2)[C@@H]1N1CCN(c2ccccc2)CC1 20463854 YJLMSYOKCOUUIB-CSEOROSGSA-N 396.491 0.847 0 40 GCAB biogenic,in-vitro O=C1NC2(CCCCCC2)C(=O)N1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 22912105 ZKNWLQZJLYJYGA-HNNXBMFYSA-N 398.529 0.393 0 40 GCAB CCOC(=O)Cc1csc(NC(=O)Cn2nnc3c(C)nn(C)c3c2=O)n1 32647296 BWDXAACXOUJFGE-UHFFFAOYSA-N 391.413 0.034 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 95999796 HTQZHXTYXCNIRZ-KRWDZBQOSA-N 379.482 0.785 0 40 GCAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 102330698 RHORPQSFVXSMJQ-XUXIUFHCSA-N 388.380 0.876 0 40 GCAB Cc1ncn(CC(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c(=O)c1C 390831996 WNWVDSHRTVFOMG-UHFFFAOYSA-N 394.435 0.829 0 40 GCAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(C(=O)O)c3)C2)C1 514290277 WBXCPZZCTCIIES-ZWKOTPCHSA-N 387.480 0.873 0 40 GCAB biogenic,in-vitro COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)O)C2)cc1Cl 572905689 MQAUDKPCMWOCTO-TVQRCGJNSA-N 391.829 0.973 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc5nnc(C)n5n4)C3)n2)n1 585606354 WPDMJSWTUZOZLC-UHFFFAOYSA-N 391.439 0.928 0 40 GCAB C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)n1cnc2c(N)ncnc21 615677987 KFMGEUVUOKFTFG-RWMBFGLXSA-N 379.424 0.777 0 40 GCAB Cn1cnc(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CC(C)(F)C2)n1 656374390 ILSOGZATHKJAOE-UHFFFAOYSA-N 389.434 0.348 0 40 GCAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]2O1 1565547498 JKOHMBYTUHXZQB-JQHSSLGASA-N 396.447 0.566 0 40 GCAB C[C@]1(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)CN(Cc2cc(O)ccc2Cl)CCO1 1615610597 LSFBZWLRLGOJPK-IYOUNJFTSA-N 381.860 0.874 0 40 GCAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 3378448 UHCXJZHVHHJHBA-LLVKDONJSA-N 386.426 0.268 0 40 GCAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 5468433 CNFPLCSPLYWGCC-SECBINFHSA-N 380.253 0.728 0 40 GCAB CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 6490197 QWWCLSHJQWSNQJ-VOAKCMCISA-N 380.401 0.096 0 40 GCAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 8752777 ZXVQYQYUWMCBJV-UWVGGRQHSA-N 375.472 0.684 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 8855936 SIEXEYMGXVURAX-QGHHPUGFSA-N 395.485 0.336 0 40 GCAB CCOC(=O)Cc1csc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)n1 13006154 BHZJMJNKURASLI-UHFFFAOYSA-N 390.487 0.748 0 40 GCAB CN(CCc1ccccn1)C(=O)[C@@H]1CN(Cc2cnc(N(C)C)nc2)CCO1 19747327 WBWSCRFJJVEMFB-SFHVURJKSA-N 384.484 0.840 0 40 GCAB Cc1cccn2c(=O)cc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc12 22785886 JYAGHAUPGVHIHX-MRXNPFEDSA-N 376.482 0.308 0 40 GCAB CS(=O)(=O)N1CCC(CNC(=O)CCS(=O)(=O)c2ccccc2)CC1 43980208 KPUQPXMRGHQRQH-UHFFFAOYSA-N 388.511 0.638 0 40 GCAB O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)NCc1ccccc1 49408975 HYKLUJXUQZHPKB-UHFFFAOYSA-N 375.450 0.949 0 40 GCAB CCCCn1c(N2CCN(C(=O)CCC)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260178 ORETVRPJPXIEEW-UHFFFAOYSA-N 376.461 0.672 0 40 GCAB CCN(CC)CCN(C(=O)c1cccc(C(=O)OC)n1)[C@H]1CCS(=O)(=O)C1 89968981 LHXHQINAZSLWPR-AWEZNQCLSA-N 397.497 0.839 0 40 GCAB Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2cnn(C)c2)CC1 96120395 YQUGAGUUCGUTQI-UHFFFAOYSA-N 384.487 0.411 0 40 GCAB O=C(CN1CCC(N2CCOCC2)CC1)N1[C@H]2CC[C@H]1c1snnc1C2 100214810 HOOHAZGBIUGXNU-HOCLYGCPSA-N 377.514 0.923 0 40 GCAB NCCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)cc1 257314309 UWIXKTMQYBEKLD-MAUKXSAKSA-N 381.436 0.742 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@H]1CS(=O)(=O)C[C@@H]1O)N(C)C 575426296 QRPUKAJQBVUYNY-RYUDHWBXSA-N 382.891 0.274 0 40 GCAB COc1nc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)nc(N2CCOCC2)n1 575605502 BJHFULDUETWLFH-HWKANZROSA-N 399.407 0.775 0 40 GCAB O=C(NCc1nc(C(F)(F)F)n[nH]1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1634559850 SBNIRFXTFMHKSM-MRVPVSSYSA-N 396.337 0.339 0 40 GCAB CNC(=O)C1CCC(NC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)CC1 1681464592 BHUSFOAFFTVZNH-UHFFFAOYSA-N 379.461 0.808 0 40 GCAB CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C 880940 CQHQKEUPUIMANL-NSHDSACASA-N 395.485 0.231 0 40 GCAB CN(C)C(=S)S[C@@H]1O[C@@H](CO)[C@@H](SC(=S)N(C)C)O[C@@H]1CO 5339685 NSWFKRMBCOWTSI-FIRGSJFUSA-N 386.586 0.567 0 40 GCAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O 5460614 XOOHSSFXDDVBAM-DTZQCDIJSA-N 394.541 0.420 0 40 GCAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)cc1 9674427 ATOFJLCZAKDCPT-UHFFFAOYSA-N 390.352 0.667 0 40 GCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCCCC1 11906081 GAXHHBUSNFULCH-UHFFFAOYSA-N 388.467 0.936 0 40 GCAB CCN(CC)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233888 UHXSBZSTEZTIHJ-UHFFFAOYSA-N 386.456 0.870 0 40 GCAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12944833 HRWIFCKCIXGLJF-GWCFXTLKSA-N 383.426 0.368 0 40 GCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1cn(C)nc1C 13688584 CRPYKOFXAJDAAV-UHFFFAOYSA-N 390.396 0.787 0 40 GCAB COC(=O)COC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14675064 MMUCKZDOOFPTOQ-GQCTYLIASA-N 399.421 0.446 0 40 GCAB CN1C[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)CC1=O 72325727 RCZZAVLPDOUHMV-GFCCVEGCSA-N 378.454 0.187 0 40 GCAB O=C(c1ccc(Cl)cc1)N(CCS(=O)(=O)O)[C@H]1CCS(=O)(=O)C1 217411043 FALJCCQBXDWSJU-LBPRGKRZSA-N 381.859 0.857 0 40 GCAB Cc1noc(-c2cn(CCNC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)nn2)n1 225577467 GSDKYUAYNCODNL-CYBMUJFWSA-N 387.444 0.934 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(O[C@H]3CCOC3)nc2)cc1 225707942 BUHNIIPRHHZRKL-HNNXBMFYSA-N 391.449 0.869 0 40 GCAB CSCC[C@H](NC(C)=O)C(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 238859790 KLGNOBMYUDAFFR-AWEZNQCLSA-N 381.502 0.833 0 40 GCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cnco3)[C@H](N(C)CCO)[C@H]2O)c1 257326155 WWBCLFSVTUSZCN-LMSBXDPUSA-N 391.424 0.287 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCCN3)CC2)cc1 615482906 GQZVWSZAXLKLSI-UHFFFAOYSA-N 383.470 0.459 0 40 GCAB Cc1cc(C)n2nc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2n1 618256484 SBECUCQSUMNBNR-UHFFFAOYSA-N 397.439 0.772 0 40 GCAB O=S(=O)(NCCO)c1cnc(N2CC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 1615053365 HWJPNQZLTBRKKR-CQSZACIVSA-N 395.403 0.988 0 40 GCAB COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1C(N)=O 1775973581 KJZYTDJENOQYCK-UHFFFAOYSA-N 383.470 0.327 0 40 GCAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)COC)CC3)C1=O 2055795680 CNAFNHUBKCECHZ-FQEVSTJZSA-N 387.484 0.790 0 40 GCAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccncc2)cc1 4271454 REKIAWJZKOKPKP-KRWDZBQOSA-N 398.419 0.321 0 40 GCAB O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6167912 SSSHRLWFHAKRGY-UHFFFAOYSA-N 378.454 0.724 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 10260325 RYBTWOKVLVJDKH-UHFFFAOYSA-N 391.453 0.887 0 40 GCAB O=C1NC[C@@H](CCC(=O)N2CCCCC2)N2C[C@@H](NC(=S)NC3CC3)C[C@@H]12 15708542 YQGZHARZEAWRET-XHSDSOJGSA-N 393.557 0.347 0 40 GCAB biogenic,in-vitro COC(=O)C1CCN(C(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)CC1 15858505 GLWFZFITYNSHAZ-UHFFFAOYSA-N 380.422 0.778 0 40 GCAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc(C(=O)OC)c1 16189944 PEWOWGVUEBFPDV-LLVKDONJSA-N 398.437 0.870 0 40 GCAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCN(CCO)CC3)CC2=O)cc1 22664504 QLNNZAHOARXFHN-HNNXBMFYSA-N 376.457 0.510 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 32726179 SDENUSKFXOKCCN-HNNXBMFYSA-N 399.495 0.631 0 40 GCAB COc1ccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)cc1 32765024 APSQUJXMJTUZDI-UHFFFAOYSA-N 387.440 0.767 0 40 GCAB CCOC(=O)[C@@H]1SC(SCC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)=NC1=O 103008027 PDBMCOYVXIEXOH-FBIMIBRVSA-N 390.483 0.985 0 40 GCAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O 220340925 LZEDVVFOLGKDPM-OAHLLOKOSA-N 399.513 0.607 0 40 GCAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 223320023 UJBJXDVCKZNDIQ-UHFFFAOYSA-N 383.407 0.878 0 40 GCAB COc1nccnc1O[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1 225806510 SIBFDBJHCSVCNV-ZDUSSCGKSA-N 381.392 0.875 0 40 GCAB Cc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ncn1 585360278 YSIIMOIJQQRPND-UHFFFAOYSA-N 376.438 0.736 0 40 GCAB CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 604381044 CPKBFKVRSIREEE-SGFSRKTBSA-N 391.468 0.688 0 40 GCAB biogenic,in-vitro Cc1ccn(CC(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)c(=O)c1 643587133 XGDKUQTYTPZKPG-DLBZAZTESA-N 397.431 0.716 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(c5ncc(F)cn5)C[C@H]4C3)ncnc21 1888906691 NQTVCBMTKGGSOQ-BETUJISGSA-N 384.419 0.974 0 40 GCAB CCc1ccccc1-n1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4303904 XBQLMXZUMNZHPL-UHFFFAOYSA-N 380.408 0.495 0 40 GCAB COc1ccc(NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 4570987 YNKIORDGKCFBET-UHFFFAOYSA-N 389.437 0.710 0 40 GCAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NC(N)=O 4916928 IDTSYSXDSFLHPZ-ZETCQYMHSA-N 395.796 0.274 0 40 GCAB COC(=O)Cn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4930266 PPGUAJKBBWGRMB-RYUDHWBXSA-N 377.445 0.085 0 40 GCAB CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(C)C 8021032 FQNGPRSZKAJFQH-AWEZNQCLSA-N 386.474 0.285 0 40 GCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)OCC(=O)N1CCc2ccccc21 10236130 XCBYLZTWYHHYOQ-UHFFFAOYSA-N 379.372 0.822 0 40 GCAB CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 12733756 HSLNCQSLQHXUMI-OAHLLOKOSA-N 396.446 0.532 0 40 GCAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CCS(=O)(=O)CCC(N)=O)C1=O 12810862 ZOVHQLXPGWOFPY-HNNXBMFYSA-N 389.380 0.022 0 40 GCAB CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 19499776 BGCRWMUPQJQBLW-NEPJUHHUSA-N 382.486 0.450 0 40 GCAB Cn1c(C2CCN(S(C)(=O)=O)CC2)nn(CC(=O)Nc2ccccc2)c1=O 23141071 CFNQNOJUUPZOPK-UHFFFAOYSA-N 393.469 0.360 0 40 GCAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(C(=O)CN2CCOCC2)CC1 29089519 HTHKKLKHDHQORP-UHFFFAOYSA-N 397.479 0.418 0 40 GCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2cccnc2-n2cccn2)C1 40105069 MORNDVSRHQFCNK-HNNXBMFYSA-N 393.469 0.877 0 40 GCAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 47793809 NVLIZWVYNMZEON-INIZCTEOSA-N 388.468 0.319 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 105352046 BUONQAWZMCXZSY-JHXGQAOHSA-N 393.827 0.088 0 40 GCAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCCCO)c3ccccn23)C1 306126565 DYZCNQYAHFHBDU-CQSZACIVSA-N 394.497 0.976 0 40 GCAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NC3CC3)cn12 306138779 SHJCACZIMQMYCK-HNNXBMFYSA-N 378.440 0.905 0 40 GCAB Cc1cc(C)nc(N2CCc3oc(C(=O)NC[C@@H]4CN(C)CCO4)nc3C2)n1 585111614 DNZXPWQGCYXALA-CQSZACIVSA-N 386.456 0.705 0 40 GCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)Cn2cccn2)CCO1 585282910 JAQRUCCWCDUOQG-SFHVURJKSA-N 376.388 0.574 0 40 GCAB COC(=O)Cn1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)n1 609017652 OLCBMCYWDNDKGE-AWEZNQCLSA-N 384.396 0.756 0 40 GCAB CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595573 GXOHPVMJKRMOEO-VYDXJSESSA-N 397.472 0.541 0 40 GCAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1cccnc1 4927369 BBCFPWOTGHOOOK-UHFFFAOYSA-N 379.355 0.828 0 40 GCAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1C 8656824 KXSFKZQYJMWWQJ-UHFFFAOYSA-N 382.424 0.541 0 40 GCAB COC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 10534227 YGJMEYHUMJZQQB-UHFFFAOYSA-N 399.421 0.575 0 40 GCAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCO2 25052616 FHKXTPQAOAWWPK-NSHDSACASA-N 396.403 0.894 0 40 GCAB COc1ccccc1CCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O 36352810 APLJHCOGVHZGRH-UHFFFAOYSA-N 394.431 0.880 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 44847258 YVGQEHQNEGCVMA-HNNXBMFYSA-N 398.504 0.993 0 40 GCAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 44880782 SSUNZIMNJBWDOO-OAHLLOKOSA-N 399.513 0.881 0 40 GCAB CCOc1cc([C@H]2NC(=O)NC(CN3CCOCC3)=C2C(=O)OC)ccc1O 67285660 NWYSUDXVYVPPCC-QGZVFWFLSA-N 391.424 0.904 0 40 GCAB COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)on2)CN(C)C(=O)C1 96113281 WDDCMHNJTNBDMV-ZIAGYGMSSA-N 380.445 0.493 0 40 GCAB biogenic,in-vitro Cc1ccc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)o1 96251017 XIDHUTQNFMSOME-BRWVUGGUSA-N 382.482 0.682 0 40 GCAB CN1CCc2cc([C@H](O)CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)ccc21 96362972 FIQUCOHVXOVKPO-QGZVFWFLSA-N 397.431 0.874 0 40 GCAB COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222739100 GUUDNVUSSQZWBL-HNNXBMFYSA-N 399.513 0.448 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)[C@@H]1CCOC1)C2 1565555656 MJQUUZCMVITWPZ-KDOFPFPSSA-N 377.466 0.951 0 40 GCAB Cn1nccc1[C@@H](NS(=O)(=O)c1cccnc1OCC(F)F)C(=O)O 1594592018 AQCKBISXGZQQTF-LLVKDONJSA-N 376.341 0.563 0 40 GCAB Cc1ccc(CNC(=O)CN2CCO[C@H](C(=O)N3CCSCC3)C2)cc1 2086868937 DSNKGUNBNVCWOL-KRWDZBQOSA-N 377.510 0.887 0 40 GCAB CN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3477581 FOQQUWBMIDBDRE-UHFFFAOYSA-N 375.516 0.701 0 40 GCAB Cn1c(=O)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2cccnc21 5303758 BIKWOEGNRONRKY-UHFFFAOYSA-N 386.433 0.553 0 40 GCAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccncc1 12163419 SYGIUHSEBJZUIN-UHFFFAOYSA-N 389.481 0.749 0 40 GCAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1S(C)(=O)=O 12530266 UECAUEALPFNCJA-HNNXBMFYSA-N 379.438 0.799 0 40 GCAB biogenic,in-vitro Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3ccc(=O)[nH]c3=O)c2C)no1 13986635 GAKYNQFDHIUXPR-UHFFFAOYSA-N 386.364 0.667 0 40 GCAB CN(C)S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F 20492497 MOVOYOINYRORDL-UHFFFAOYSA-N 386.449 0.162 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)C[C@H](C)O1 32771329 WKBBPLHWKXEGGF-KBPBESRZSA-N 385.461 0.938 0 40 GCAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 43942158 SPAAZYJZXNEKJU-UHFFFAOYSA-N 388.453 0.849 0 40 GCAB CCOC(=O)N1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 44849382 TUTXZJIJXNPVQG-UHFFFAOYSA-N 375.473 0.894 0 40 GCAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cnc2nc(O)[nH]c(=O)c2c1 48253731 RUEFUGLHSRNNRS-UHFFFAOYSA-N 382.380 0.185 0 40 GCAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CN(C)CCN21 61957596 JOCOYLIMCONCBM-INIZCTEOSA-N 399.451 0.358 0 40 GCAB O=C(CCc1nnc2ccccn2c1=O)N1CCN(CCc2ccccn2)CC1 96232502 DYLBFNJSWHWIMO-UHFFFAOYSA-N 392.463 0.804 0 40 GCAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCOCC1 219440084 PRKUAOXKWNYIQD-UHFFFAOYSA-N 395.481 0.450 0 40 GCAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 222604171 NYBLHCFYKKAXTE-ZDUSSCGKSA-N 383.470 0.673 0 40 GCAB COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1N1C(=O)CCC1=O 223221108 RCSTXNHQTBXINR-UHFFFAOYSA-N 381.454 0.721 0 40 GCAB CN(CCO)[C@H]1[C@H](NC(=O)c2cocn2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257327239 XAPDOMUETCALNN-SIXLDLHFSA-N 379.388 0.417 0 40 GCAB Cc1cc(C)n(-c2ccc(N3CCN(CC(=O)N4CCOCC4)CC3)nn2)n1 298145972 BOFRUFXDQIEZDE-UHFFFAOYSA-N 385.472 0.260 0 40 GCAB O=C(c1ccco1)N1C[C@H]2c3nn(Cc4ccccc4)c(=O)c(=O)n3C[C@H]2C1 306127287 FUDYRWMBWNTHJG-HUUCEWRRSA-N 378.388 0.916 0 40 GCAB O=C(c1csnn1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1614931548 FTFKTWNVWBJDNI-MLGOLLRUSA-N 377.426 0.185 0 40 GCAB CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cn1 2732372 UEXGTLGSNLRZIK-HNNXBMFYSA-N 394.501 0.662 0 40 GCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 4760641 LSGQBKXSCAVGDH-MRVWCRGKSA-N 384.454 0.985 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2ccccc2OC)c(=O)[nH]c1=O 7813945 GJEQFSDLGJJOIS-UHFFFAOYSA-N 390.440 0.760 0 40 GCAB COc1ccc2[nH]c(SCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1 9642739 INWLHSHKIJVEQE-VIFPVBQESA-N 398.466 0.677 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)N2)CC1 10157538 OTBXWALYXXSIJE-GJZGRUSLSA-N 388.424 0.777 0 40 GCAB Cn1nnc2c(N3CCN(CC(=O)NCCc4ccccc4)CC3)ncnc21 13533885 LTXPVFKTERLODJ-UHFFFAOYSA-N 380.456 0.239 0 40 GCAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1 14849954 SVJWDFVECUSOAX-UHFFFAOYSA-N 397.478 0.900 0 40 GCAB NC(=O)[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 24226278 QBFJRRZERQSFLA-ZDUSSCGKSA-N 375.454 0.436 0 40 GCAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 33659196 OOAQJEXPZGKLAG-OAHLLOKOSA-N 379.482 0.811 0 40 GCAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 58367520 VRDGIEDMNZHCQI-INIZCTEOSA-N 396.513 0.267 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 95999795 HTQZHXTYXCNIRZ-QGZVFWFLSA-N 379.482 0.785 0 40 GCAB CCN1CCC(C(=O)N2CC3(C2)CN(CC2CC2)[C@H](C(=O)NC)CO3)CC1 249684728 FAVSGWVCTZHBDI-KRWDZBQOSA-N 378.517 0.156 0 40 GCAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)ccc1C 681943170 JDMHBIDMFDZJMP-MRXNPFEDSA-N 391.424 0.728 0 40 GCAB CC(=O)N1CC(C(=O)N2CC[C@@H]3[C@@H](CCCN3C(=O)c3c(C)cnn3C)C2)C1 1614423253 UZDMFMJCLDQSSF-DOTOQJQBSA-N 387.484 0.660 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5nccn5C)C[C@H]4C3)n1)CCC2 1888890118 TTWQRJPOXJDEOM-OKILXGFUSA-N 388.497 0.764 0 40 GCAB COc1nn(C)cc1C(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888906872 WZOVOPRCWUILAR-VXGBXAGGSA-N 382.428 0.314 0 40 GCAB NC(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 3363344 LPHZUCVYPOXQNO-UHFFFAOYSA-N 399.444 0.184 0 40 GCAB CCOC(=O)c1ccc(N2C(=O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 5634119 OPCWTIVOCUZDEA-UHFFFAOYSA-N 383.364 0.289 0 40 GCAB Cc1c(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(=O)oc2cc(O)cc(O)c12 9486553 FFSQNCNKZHDWPF-QGZVFWFLSA-N 381.406 0.749 0 40 GCAB COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)COCC(=O)O)CN3C)n2)cc1 12529915 FGCKGVIAHNIDSA-JSGCOSHPSA-N 390.396 0.708 0 40 GCAB biogenic,in-vitro C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16818715 SSTGIVBESBTRGB-WCQYABFASA-N 396.494 0.404 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCO4)CC2)N1 22281731 BWEIAZCGNUICMO-UHFFFAOYSA-N 379.800 0.854 0 40 GCAB Cc1nn(CCC(=O)Nc2cc(=O)n(C)c(=O)n2C)c(C)c1Br 27969313 XGDYJGPDUHOPCO-UHFFFAOYSA-N 384.234 0.689 0 40 GCAB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 28288656 GMEQYSKESGCTSU-UHFFFAOYSA-N 385.376 0.706 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38946649 FBDMDHVTNCZVKM-NWDGAFQWSA-N 392.510 0.838 0 40 GCAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70999333 PRQZHHGAQKQXHM-MEBBXXQBSA-N 380.364 0.928 0 40 GCAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)N1CCC(O)CC1 79018448 MYVIGLTYWNTBAT-UHFFFAOYSA-N 384.498 0.774 0 40 GCAB NC(=O)[C@H]1CN(CC(=O)NCC2CC2)c2ccccc2N1CC(=O)NCC1CC1 89865582 JEWHYTIQSLWWTG-GOSISDBHSA-N 399.495 0.219 0 40 GCAB CS[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H]1N1CCCC1 95939740 CTIZQINVZOJEGE-JKSUJKDBSA-N 388.493 0.728 0 40 GCAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1-n1cnnn1 100466545 YJECRINUJGJUGE-NXKWAJLKSA-N 396.407 0.641 0 40 GCAB Cn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)cn1 521396718 WYQUZJMBKOKTGZ-CYBMUJFWSA-N 380.474 0.125 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@@H]1CS(=O)(=O)C[C@H]1O)N(C)C 575426297 QRPUKAJQBVUYNY-VXGBXAGGSA-N 382.891 0.274 0 40 GCAB O=C(Cn1nc2n(c1=O)CCCC2)N1CCN(C(=O)c2ccc(F)cc2)CC1 649578581 WHUSJNMWTMQMOY-UHFFFAOYSA-N 387.415 0.505 0 40 GCAB CC(=O)Nc1cc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)ccc1C 681943163 JDMHBIDMFDZJMP-INIZCTEOSA-N 391.424 0.728 0 40 GCAB CN(CCN(C)C(=O)c1cn2ccccc2n1)C(=O)c1ccc(C(N)=O)nc1 1615610428 CCEXEZPNTNEYGN-UHFFFAOYSA-N 380.408 0.672 0 40 GCAB O=C(c1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243284 XLVCJCXXJCKWAW-HNNXBMFYSA-N 397.403 0.870 0 40 GCAB COC(CNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)OC 4193514 KGQALWPHEDRXSD-OLZOCXBDSA-N 399.494 0.716 0 40 GCAB CC(C)CNC(=O)C(=O)NCc1cccc(CNC(=O)C(=O)NCC(C)C)c1 4491516 OVZQMOIYXBHEOY-UHFFFAOYSA-N 390.484 0.463 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC[C@@H]1CCCO1 4964712 GQFATWMXWRVAKI-HNNXBMFYSA-N 397.497 0.723 0 40 GCAB CCOC(=O)N1CCN(C(=O)COC(=O)[C@H]2COc3ccccc3O2)CC1 6947011 KAPNEPBUKBLPBQ-OAHLLOKOSA-N 378.381 0.670 0 40 GCAB COC(=O)c1ccccc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 7404420 LHEQJXVRYRYVKH-CQSZACIVSA-N 376.390 0.915 0 40 GCAB Cc1cc(C)cc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 8652092 XDYVNQPJJUSVRI-CYBMUJFWSA-N 396.451 0.787 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncn[nH]1 12776047 KFGHTEPPOYVYPD-UHFFFAOYSA-N 397.482 0.865 0 40 GCAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 13269890 QXTWJCNYPXTFRN-JTQLQIEISA-N 377.216 0.786 0 40 GCAB CC[C@@H](C)[C@@H](NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(=O)OC 21925264 KQAKGWPIEYUJTQ-PRHODGIISA-N 391.346 0.670 0 40 GCAB CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21 22936678 JPTSTLNYCYZAMH-VBQJREDUSA-N 378.473 0.108 0 40 GCAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)CNC(=O)C1CCN(S(C)(=O)=O)CC1 23003067 AYJXROXVUINPMH-UHFFFAOYSA-N 383.470 0.730 0 40 GCAB CC1(C)Cc2cccc(OCCNC(=O)C3CCN(S(N)(=O)=O)CC3)c2O1 25302931 KZMAXDNGGVFCQN-UHFFFAOYSA-N 397.497 0.811 0 40 GCAB Cn1nnnc1SCC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903564 HDMXAHPZDXISRB-UHFFFAOYSA-N 397.468 0.503 0 40 GCAB CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)O)CC1 71279896 OSGJIZOFIQSZSS-CQSZACIVSA-N 392.456 0.127 0 40 GCAB Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 95940698 WAYAQLCIFSAEFX-LBPRGKRZSA-N 394.409 0.810 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1 96223276 QTYGJNHEFPZXGN-UHFFFAOYSA-N 389.433 0.914 0 40 GCAB O=C([C@@H]1COc2ccccc2O1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238871149 MXYQSBXFQZEAQV-HNNXBMFYSA-N 392.437 0.473 0 40 GCAB Cc1nc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)cc2[nH]1 257338019 YVMBHYHVSRSUPM-ZHALLVOQSA-N 385.468 0.657 0 40 GCAB COCCOc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)[C@@H](OC)CS3(=O)=O)c1 585100317 PSRHBUPBUMJKCW-OWCLPIDISA-N 384.454 0.988 0 40 GCAB O=S(=O)(N1CCOCC1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147120 KCYNGGZURKGUMZ-LLVKDONJSA-N 393.263 0.269 0 40 GCAB CCC1CCN(S(=O)(=O)N2CCN(Cc3c(C(=O)O)cnn3C)CC2)CC1 1616032058 QVJMDEOLCFWLGN-UHFFFAOYSA-N 399.517 0.603 0 40 GCAB O=C(CN1CCN(c2ccc(O)nn2)CC1)N1CCN(c2ccccc2)CC1 2087018063 TVUOZABEQHCMLS-UHFFFAOYSA-N 382.468 0.653 0 40 GCAB CC(=O)N[C@H]1C[C@H]2CN(CCc3ccccc3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332241986 FGKHWFKIIVQXLG-UFYCRDLUSA-N 398.507 0.545 0 40 GCAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 810934 PTAHIHWBHHZNDQ-UHFFFAOYSA-N 397.472 0.950 0 40 GCAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCNC(=O)C4(C)C)nc3c2c1C 19561693 NEVHLUVDQMQMGS-UHFFFAOYSA-N 388.453 0.460 0 40 GCAB COc1ccccc1CCNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 19747386 SFJJMCQFTRYUDJ-GOSISDBHSA-N 399.447 0.594 0 40 GCAB COc1ccc(OC)c(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c1 22997042 FIBVYANJRMKQAY-INIZCTEOSA-N 395.456 0.798 0 40 GCAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ccc1=O 31303385 NWCBZQINHGGUMP-UHFFFAOYSA-N 380.401 0.066 0 40 GCAB COC(=O)c1cc(NC(=O)CN2CCN(C(C)=O)CC2)cc(C(=O)OC)c1 36021659 XHYPNESMEBQZSB-UHFFFAOYSA-N 377.397 0.362 0 40 GCAB O=C([C@H]1CCCO1)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 40115550 RWOHVCARDJQLHH-MRXNPFEDSA-N 397.497 0.887 0 40 GCAB CC(C)CN(C(=O)Cn1cc(-c2nnco2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 40139006 OZIFJFVLVMEKSE-CQSZACIVSA-N 394.453 0.570 0 40 GCAB COc1cc(NC(=O)C(=O)NC[C@@H](C)O)ccc1N1CCCCS1(=O)=O 40283344 JYRPIMXLCQPRRN-LLVKDONJSA-N 385.442 0.061 0 40 GCAB COC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccc2ccc(=O)oc2c1 41100074 UTTGFBCGSFNWQU-NSHDSACASA-N 392.364 0.576 0 40 GCAB Cc1ccc2[nH]c(C)c(CC(=O)NCC(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 53013448 XFEJTMRDIDPDCM-ZDUSSCGKSA-N 377.466 0.747 0 40 GCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2cnn(C)c2C)c1 57279429 FHXQSVOOGSUJJZ-UHFFFAOYSA-N 391.457 0.889 0 40 GCAB CCNS(=O)(=O)CCNC(=O)N1CCC(c2nnc3ccccn23)CC1 69116245 PFDDOSNNDFUSOZ-UHFFFAOYSA-N 380.474 0.558 0 40 GCAB COc1cc2c(=O)n(CCO)c(=O)n(CCN3CCCCC3)c2cc1OC 71280066 BWWKDXPSDSPWCE-UHFFFAOYSA-N 377.441 0.659 0 40 GCAB COC(=O)C[C@H](Cc1ccccc1)NS(=O)(=O)CCCS(C)(=O)=O 79012831 LZKYIVOAILXZER-AWEZNQCLSA-N 377.484 0.515 0 40 GCAB Cc1cc(Br)ccc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 97513200 SSUXNYFULKSFNV-UHFFFAOYSA-N 393.245 0.729 0 40 GCAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCC(=O)Nc1ccc(F)c(F)c1 102649581 UQYKQSSMODHCHX-VXGBXAGGSA-N 377.347 0.971 0 40 GCAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCS(=O)CC[C@@]56[C@H]2[C@@H]43 104287754 RJOVTMHCDKITPS-AWDWYXEDSA-N 381.457 0.931 0 40 GCAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CC[C@H](N2C(=O)COC2=O)C1 225700647 HAXNNZPGUNBUPZ-NSHDSACASA-N 399.400 0.074 0 40 GCAB O=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(c2ncccn2)CC1 244933279 CKHPTKANQVULFQ-UHFFFAOYSA-N 391.439 0.237 0 40 GCAB Cc1cccc(C(=O)N2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)n1 306133349 MJFFDINYFYMWKH-HUUCEWRRSA-N 381.436 0.778 0 40 GCAB Cn1cc(CN2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 306141057 VKMYLVWLVZRZIS-IBGZPJMESA-N 398.492 0.796 0 40 GCAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1ccn(CCOC)n1)CC2 585096307 HJZLMIXCGLBCTH-ZDUSSCGKSA-N 390.444 0.319 0 40 GCAB CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 585124171 JHSXCRAACIZUGN-NWANDNLSSA-N 381.458 0.869 0 40 GCAB CC(C)(O)C(=O)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@@H]2C1 1549160483 DTDGXTZTODIXBP-AWEZNQCLSA-N 392.431 0.994 0 40 GCAB COc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)cn1 1549160829 BKWQEXNUHRWAJP-CQSZACIVSA-N 386.408 0.358 0 40 GCAB C=CC(=O)Nc1ccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1 1653540925 SKQZDNGELHPWFG-OAHLLOKOSA-N 382.424 0.824 0 40 GCAB CCOC(=O)[C@H]1CS[C@@H](c2c(COP(=O)(O)O)cnc(C)c2O)N1 1608325 OHRKOKMWZUMOMN-SKDRFNHKSA-N 378.343 0.972 0 40 GCAB O=C(O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 3985237 PWSZFHTYRLIZEO-JKSUJKDBSA-N 397.387 0.035 0 40 GCAB biogenic Cc1ccc(-n2nnc3c(=O)n(CC(=O)NC[C@@H]4CCCO4)cnc32)cc1C 5057151 LXJIQANHMGFSEG-HNNXBMFYSA-N 382.424 0.889 0 40 GCAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCCC1 12337047 SIJUJOFTMXTYQM-UHFFFAOYSA-N 398.398 0.751 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 12444891 WAWKKZMQTKEFPE-UHFFFAOYSA-N 375.454 0.358 0 40 GCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495902 NUBVHDVGVPFZKT-HNSFDTNUSA-N 378.450 0.932 0 40 GCAB CC(=O)c1ccc(N2CCN(CCS(=O)(=O)CCC(N)=O)CC2)c(F)c1 12540653 XSSUPKHYLLUNLY-UHFFFAOYSA-N 385.461 0.441 0 40 GCAB COCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(=O)n(C)c(=O)n1C 12915567 LDHTUYWQAQKERJ-UHFFFAOYSA-N 391.453 0.844 0 40 GCAB CCOc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 13021769 GUDSWIZVCWZBLJ-ZDUSSCGKSA-N 385.438 0.701 0 40 GCAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)C1CCN(S(C)(=O)=O)CC1 19286303 VLZDJOLZTMSLHZ-KGLIPLIRSA-N 394.497 0.208 0 40 GCAB CCN(CC)S(=O)(=O)N1CCC(c2nc3c(c(NC)n2)CCNC3)CC1 19711553 QHXKNRPLBYDZDA-UHFFFAOYSA-N 382.534 0.930 0 40 GCAB Cc1nnsc1C(=O)N1CCO[C@H](C(=O)N(C)CCc2ccccn2)C1 19745282 PHGRCIJFBIHVSI-AWEZNQCLSA-N 375.454 0.784 0 40 GCAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCNC(=O)C2)cc1 23419887 KWNPXPXURRFPGG-HNNXBMFYSA-N 383.470 0.347 0 40 GCAB CCN(CC)C(=O)CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 24239457 HLABDWZGKJIZDD-UHFFFAOYSA-N 385.468 0.560 0 40 GCAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)O)c12 35686299 MJHUFNDQHSOBSZ-UHFFFAOYSA-N 390.392 0.750 0 40 GCAB O=c1n(Cc2cccc(F)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cn12 49408101 XTQSIEHFOIWGKO-UHFFFAOYSA-N 392.412 0.704 0 40 GCAB O=S(=O)(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 97102037 QAGYXKBZWXXJPH-UHFFFAOYSA-N 383.451 0.903 0 40 GCAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(=O)n(C)n1 206799775 RFGFQLUUJNAYNN-SMDDNHRTSA-N 375.356 0.755 0 40 GCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cncc(Br)c2)C1 225678739 MTHBTKNSFLAOFH-UHFFFAOYSA-N 385.243 0.876 0 40 GCAB CSCC[C@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 230203330 SGPBPIBJNRPJSS-UONOGXRCSA-N 380.466 0.994 0 40 GCAB biogenic CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CN3CCN(CCO)CC3)CC[C@H]21 257318112 VMPAMLJPLREECE-NJDAHSKKSA-N 386.540 0.543 0 40 GCAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@@H]1CS(=O)(=O)C[C@@H]1O)N(C)C 575426294 QRPUKAJQBVUYNY-NEPJUHHUSA-N 382.891 0.274 0 40 GCAB Cn1ccc(C2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)n1 575616884 SEOTXYRITOERCF-UHFFFAOYSA-N 378.454 0.853 0 40 GCAB O=C(N1CCO[C@@]2(COCCN(S(=O)(=O)C3CC3)C2)C1)C1(F)CCC1 1565544253 GYWWVXWPBGNGMN-HNNXBMFYSA-N 376.450 0.301 0 40 GCAB CNC(=O)C1(Nc2cccc(F)c2)CCN(S(=O)(=O)c2cn(C)cn2)CC1 2055745490 DIJZQWBJSJPNKD-UHFFFAOYSA-N 395.460 0.941 0 40 GCAB O=C(COC(=O)c1cccc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 3530839 VQJFNQDPCUTXIO-LLVKDONJSA-N 376.228 0.909 0 40 GCAB COCCCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 4569045 BJOGPPTZCRINMZ-CQSZACIVSA-N 383.470 0.109 0 40 GCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1nc2ccsc2c(=O)[nH]1 5173649 AJEJJZBZDYUCHA-UHFFFAOYSA-N 376.394 0.892 0 40 GCAB CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)C 7723151 OCXBSZYJTLMBJF-INIZCTEOSA-N 385.461 0.819 0 40 GCAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 7813518 RYKKTRQHBSDHHP-MRXNPFEDSA-N 395.481 0.400 0 40 GCAB COCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024746 CNPXUJXMQKDTRH-ZTENYAIWSA-N 375.400 0.849 0 40 GCAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C3)CC1 19016825 BJFDEXKRHAZAEH-OAHLLOKOSA-N 385.468 0.566 0 40 GCAB CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)s1 40012304 JNOGYMBCSZKXNG-VIFPVBQESA-N 395.437 0.829 0 40 GCAB Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@@](C)(O)[C@]3(C)O)ccc12 43509391 VERJTZMTVXTWPT-MVBLQPKNSA-N 394.420 0.841 0 40 GCAB CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H](OCCN3CCCCC3)C2)CC1 79105443 VCPSEROHBTWMQQ-HKUYNNGSSA-N 380.533 0.642 0 40 GCAB C[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220455651 FNUZRHKLYPIHTC-LBPRGKRZSA-N 391.440 0.568 0 40 GCAB Nc1cc(-c2cncnc2[C@@H]2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1 257260942 LFDUZXJYTCOLLH-CQSZACIVSA-N 390.469 0.487 0 40 GCAB CC(C)N1[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2N(C)c2ncccc2S1(=O)=O 306135380 OPJHQJLESGUQBX-JKSUJKDBSA-N 390.513 0.917 0 40 GCAB Cn1c(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc(=O)n(C)c1=O 1775976029 TXXMFHOULBUFIG-UHFFFAOYSA-N 378.436 0.868 0 40 GCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2cocn2)CC1 2055745696 VEYUULZNSQLVNI-UHFFFAOYSA-N 379.442 0.981 0 40 GCAB Cc1cc(CN2CCO[C@]3(CO[C@H](C(=O)NCCCn4ccnc4)C3)C2)n[nH]1 2056226101 KLXZRTMYQXPCDC-HKUYNNGSSA-N 388.472 0.481 0 40 GCAB CC(C)C[C@@H](C(=O)N[C@@H](C(=O)O)[C@@H](C)O)n1c(=O)[nH]c2ccccc2c1=O 3985264 ZXBWYXAJSHQNLM-DDTOSNHZSA-N 377.397 0.227 0 40 GCAB biogenic Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4370522 LARJMCSYSYUFGC-UHFFFAOYSA-N 394.435 0.858 0 40 GCAB CN(C)C(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5435760 OOMQPGULNREGIG-UHFFFAOYSA-N 379.438 0.479 0 40 GCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c1 5918235 ISQQHIMCYGNCAO-UHFFFAOYSA-N 379.394 0.466 0 40 GCAB O=C(Nc1ccc2c(c1)OCO2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 6620077 PUOKRKIFTPMRSO-NSHDSACASA-N 379.394 0.519 0 40 GCAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)NCCCn2nc(C)cc2C)n1 7030005 BLODKYDFFKHYLX-UHFFFAOYSA-N 393.469 0.597 0 40 GCAB O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 7987899 HMWBAGLTMQLVHM-UHFFFAOYSA-N 385.467 0.179 0 40 GCAB COCCNC(=O)COC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 14129276 WWNKICCHVWQRNR-XLNAKTSKSA-N 398.481 0.907 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NCc1ccco1 20768983 OICWQLVKGZARDE-UHFFFAOYSA-N 391.449 0.997 0 40 GCAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCNC3=O)CC2=O)cc1 24913439 ASDPSVSQINSNFG-LBPRGKRZSA-N 375.381 0.533 0 40 GCAB CCOc1ccc(NC(=O)CN(C)CC(=O)N2CCNC2=O)cc1OCC 25388559 XHKIEZZGNJPQKM-UHFFFAOYSA-N 378.429 0.906 0 40 GCAB CN(C)S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 25738594 FYGKMFXAWUDVDY-UHFFFAOYSA-N 393.469 0.620 0 40 GCAB CS(=O)(=O)N1CCC(NC(=O)NCCc2ccc3c(c2)OCCO3)CC1 26280221 LCNCRTCKPXIMEF-UHFFFAOYSA-N 383.470 0.724 0 40 GCAB CNC(=O)C1(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)CCCCC1 54319507 DOWXMTAUOHNVEF-UHFFFAOYSA-N 378.454 0.290 0 40 GCAB COCc1cc(=O)n(CC(=O)Nc2cccnc2Cl)c(N2CCOCC2)n1 67319489 ORBVXOPFAGVMAG-UHFFFAOYSA-N 393.831 0.913 0 40 GCAB COC(=O)[C@@H](C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 71328876 JTEFYMTUJRWTIR-OAHLLOKOSA-N 399.451 0.248 0 40 GCAB CS[C@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@@H]1N(C)C 89314150 LPGTXXJKVXRSNJ-RYUDHWBXSA-N 378.541 0.756 0 40 GCAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCN(c3cnccn3)CC2)C1 95999931 CNQKHRQJWMIZOX-UHFFFAOYSA-N 387.465 0.453 0 40 GCAB COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 100876779 GMTCRCLYONUFSY-VKAVYKQESA-N 385.467 0.997 0 40 GCAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 225513675 HMPZMUQSRWOSEE-SGFSRKTBSA-N 391.468 0.686 0 40 GCAB biogenic,in-vitro CN1CCN(C(=O)c2c[nH]c(O)n2)C[C@@H]1C(=O)NCCOc1cccc(F)c1 257248126 JCFHKRZHEPJLJK-OAHLLOKOSA-N 391.403 0.206 0 40 GCAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(=O)n(C)c(=O)n3C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257292885 QNIXIOLVTGCRBE-NCLAMWEWSA-N 388.468 0.478 0 40 GCAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 260888424 NOPLMJZCHBAERM-SFHVURJKSA-N 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COCCn1nc(C(=O)N[C@@](C)(C(=O)O)c2cc(F)ccc2F)ccc1=O 95424520 GBPRDNBFTQMUER-QGZVFWFLSA-N 381.335 0.898 0 40 GCAB NC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nn1 96000448 SYTWDTSKKQTUSF-UHFFFAOYSA-N 376.225 0.929 0 40 GCAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 257265505 LYXJQQQMJLEYDH-JCGIZDLHSA-N 381.436 0.367 0 40 GCAB COc1cc(OC)nc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 287145140 DXLRMKFTTNOKDU-UHFFFAOYSA-N 387.444 0.447 0 40 GCAB COc1ccc(S(=O)(=O)N(CCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 575424896 CCQNYYVZSIBEGG-LBPRGKRZSA-N 391.467 0.738 0 40 GCAB Cc1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1C 575616047 OINYUDMMORCSIK-UHFFFAOYSA-N 396.513 0.877 0 40 GCAB CN1CCO[C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@H]21 581443540 DOFBKVLOGFWOTD-CVEARBPZSA-N 387.440 0.675 0 40 GCAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 656732910 YMLQGVSOPVHYCN-WCQYABFASA-N 378.472 0.388 0 40 GCAB COCCN1C[C@]23CN(C(=O)c4csc(C)n4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565547138 NWHTZBAKKRURIY-OSAQELSMSA-N 387.483 0.095 0 40 GCAB CCCNC(=O)CNc1ncc(S(=O)(=O)NCCO)cc1C(F)(F)F 1615053320 NPFWYSBUEKPKFG-UHFFFAOYSA-N 384.380 0.309 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 3015935 DBJRKQNHMLKAFK-UHFFFAOYSA-N 383.408 0.838 0 40 GCAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(=O)[nH]c(=O)[nH]1 8267885 MSDMKFFWCVBAKC-UHFFFAOYSA-N 378.410 0.490 0 40 GCAB CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2n[nH]c(=O)c3ccccc23)C1 9623264 OCUUBRCIZSODSA-LBPRGKRZSA-N 386.408 0.341 0 40 GCAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nnc2ccccn12 9751371 LMMGFVFXFZTTSG-HNNXBMFYSA-N 385.449 0.732 0 40 GCAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)NCc1ccc(F)cc1 12797229 VRKSBVLZNJQOGJ-IIAWOOMASA-N 383.445 0.849 0 40 GCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O 19526965 YFMJFFRMSZRANS-CABCVRRESA-N 385.468 0.566 0 40 GCAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19739078 OBZYKQKAJJEQLG-MRXNPFEDSA-N 396.495 0.865 0 40 GCAB CCOC(=O)N1CCC(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CC)CC1 29200265 BFMWKDQPWSUPIU-UHFFFAOYSA-N 389.412 0.455 0 40 GCAB O=C(NCCNc1cnccn1)c1ccc(=O)n(CCOc2ccccc2)n1 31598555 WQAFPRZCWFXGRC-UHFFFAOYSA-N 380.408 0.954 0 40 GCAB O=S1(=O)CC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 32679543 OEZBWZMRWWZMIC-INIZCTEOSA-N 384.523 0.669 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC2)cc1 32926209 NWFJUVARSFBXSB-ZDUSSCGKSA-N 388.511 0.697 0 40 GCAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(OC)cc1 39985398 AUEZYEUFUFQWKI-UHFFFAOYSA-N 383.470 0.430 0 40 GCAB CN(C(=O)COc1coc(CN2CCCCC2)cc1=O)[C@H]1CCS(=O)(=O)C1 44901165 CXAHILCERPXCTK-AWEZNQCLSA-N 398.481 0.650 0 40 GCAB COc1ccccc1OC[C@@H](O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 71282899 AKSVXYZOGYTODJ-CVEARBPZSA-N 384.498 0.240 0 40 GCAB O=C1CCCN1CC(=O)N1CCC[C@@H]([C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 72342566 AQZAXVNKFZXTFE-FZKQIMNGSA-N 392.481 0.578 0 40 GCAB O=C(NCCCn1ncccc1=O)[C@@H]1COCC(=O)N1Cc1cccs1 90608547 OIUXXVLJHIMOPY-AWEZNQCLSA-N 376.438 0.239 0 40 GCAB CC1(C)O[C@@H]2[C@H](O1)[C@H](n1c(Br)nc3c(N)ncnc31)O[C@@H]2CO 95949869 GDKUQUVKGLVGBN-LEIICMHDSA-N 386.206 0.581 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccccc1F 225174739 VSHAMZSIUGIAID-UHFFFAOYSA-N 387.477 0.426 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)=O 257266139 MBTHNMMQUSYEJF-NSHDSACASA-N 375.351 0.016 0 40 GCAB CSc1nnc(COc2ccccc2)n1NC(=O)CSc1nncn1N 409199500 ODXMUVNLWHWXFV-UHFFFAOYSA-N 392.470 0.747 0 40 GCAB CN(C)CCOc1cnccc1CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 585083761 HFNPCFRPKUHVGM-HNNXBMFYSA-N 395.485 0.658 0 40 GCAB CN(C)C1(CS(=O)(=O)N2C[C@@H](C(=O)NC3CC3)[C@H](c3cn(C)cn3)C2)CC1 1614995628 GFWYLQDTCOPHRG-HUUCEWRRSA-N 395.529 0.138 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)CC1 1888890468 YBIUUNNFFQMFPW-KRWDZBQOSA-N 392.481 0.694 0 40 GCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccc(OC)nn5)C[C@H]4C3)nn12 1888914064 RYXLHVZAPDZSPB-BETUJISGSA-N 394.439 0.694 0 40 GCAB COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 4884159 NUBVHDVGVPFZKT-KHSSZTOVSA-N 378.450 0.932 0 40 GCAB COC(=O)COc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OC 8113325 SHSZDHOHSDVIAZ-WDZFZDKYSA-N 394.405 0.478 0 40 GCAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 10042999 YACKOINLDPYYJH-UHFFFAOYSA-N 395.485 0.717 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(F)cc1 20674688 ZJEIFNBWZMJZNZ-CABCVRRESA-N 376.388 0.306 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(=O)n(CCOc2ccccc2)n1 32784501 ZPTVTAMEPQMQNW-ZDUSSCGKSA-N 377.422 0.239 0 40 GCAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCN1CCS(=O)(=O)CC1 32913547 UDTGDTNSJNBHKS-UHFFFAOYSA-N 396.444 0.655 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)ccc21 32927399 DGLLRBHSDGKTKX-LLVKDONJSA-N 386.451 0.472 0 40 GCAB Cc1ccc(-c2nnn(CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)n2)cc1 35336616 SMGXLFHXDSDSJS-UHFFFAOYSA-N 397.483 0.415 0 40 GCAB NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 58194696 PQOHMLAOJDFFKB-OAHLLOKOSA-N 394.497 0.878 0 40 GCAB CN(C)C(=O)CN1CCN(CCC(=O)Nc2ccc(Cn3cncn3)cc2)CC1 72403121 YQZLGCVQUCQAAQ-UHFFFAOYSA-N 399.499 0.361 0 40 GCAB NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 78904125 CPIHZZZGEXALGN-KBPBESRZSA-N 387.483 0.060 0 40 GCAB O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1ccc2c(c1)OCO2 225498100 XBXVIYUQDGSNFC-HLNSBACISA-N 386.408 0.425 0 40 GCAB biogenic,in-vitro Cn1ccc(C(=O)N2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)n1 248115481 ILSQIRUPVAFKOO-CYBMUJFWSA-N 376.438 0.523 0 40 GCAB Cc1nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2n1C 257271347 MXXZSNJIIVTCDW-QWFCFKBJSA-N 399.495 0.668 0 40 GCAB COCC(=O)N1CCC2(CC=CC[C@H]3COCC[C@@H]3NC(=O)CNC2=O)CC1 1615525946 GVYYPFNPYSCEBQ-HOTGVXAUSA-N 393.484 0.229 0 40 GCAB C=CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 4386220 PJWYASZJHXNJAP-ZDUSSCGKSA-N 385.424 0.737 0 40 GCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12794147 GFCVAOLVOSXLIU-UHFFFAOYSA-N 398.375 0.777 0 40 GCAB COCCCN(C(=O)C1=COCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14249269 OODCRQPIIRLYBS-UHFFFAOYSA-N 382.417 0.033 0 40 GCAB O=C(Cn1cccn1)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 19747338 YEYYNTWUPSMKOS-GOSISDBHSA-N 383.452 0.459 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548516 XWNOOIIVMBMZTL-CFEDGUPZSA-N 384.436 0.471 0 40 GCAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24096671 PUYFFLZOKBEGFG-GOSISDBHSA-N 388.493 0.876 0 40 GCAB O=S(=O)(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1 35598421 AVSZHWSTCJGSLJ-UHFFFAOYSA-N 388.453 0.641 0 40 GCAB NC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1 54274447 MQIMXIISXARJMW-UHFFFAOYSA-N 385.428 0.666 0 40 GCAB C[C@@]1(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@](C)(CO)[C@@](C)(O)[C@]1(C)O 78547097 XOSLXWLHQVUTQP-PFAUGDHASA-N 394.512 0.165 0 40 GCAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)C2 89702177 POMFSXWIDFPDEB-SNVBAGLBSA-N 375.410 0.015 0 40 GCAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)CNC(=O)c1ccccc1 224360993 OKNQNBZLDUGKAZ-UHFFFAOYSA-N 384.440 0.748 0 40 GCAB Cc1ncn(CC(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)c(=O)c1C 225637154 SMWKWECQGDTTOD-HNNXBMFYSA-N 384.392 0.696 0 40 GCAB Cn1nccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 262553772 XRSQDXSSKVLSKI-UHFFFAOYSA-N 378.410 0.265 0 40 GCAB COCCN1C(=O)CO[C@H]2CN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]21 585290082 ZRRXPXYJAMCKSI-ZFORQUDYSA-N 390.480 0.905 0 40 GCAB CCN(Cc1ccccc1NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)C(C)=O 665533778 WLQFAXBVNKJOGU-HOTGVXAUSA-N 383.470 0.989 0 40 GCAB COCCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2cccnc2)no1 1775963985 MOJSBNKXONQWIC-LBPRGKRZSA-N 381.414 0.253 0 40 GCAB biogenic,in-vitro COCCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2c(C)noc2C)no1 1775963989 MTSXZEVCARCCAW-NSHDSACASA-N 399.429 0.463 0 40 GCAB biogenic,in-vitro Cn1c(=O)c2c(nc(SCC(N)=O)n2Cc2ccc(F)cc2)n(C)c1=O 930530 YXGSPLYFIAESRS-UHFFFAOYSA-N 377.401 0.199 0 40 GCAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4303675 RHHNTCYTVQANIZ-JKEDJMADSA-N 395.408 0.289 0 40 GCAB O=C(O)c1c[nH]c2ccc(S(=O)(=O)N[C@H]3CCCCNC3=O)cc2c1=O 4659663 CCHGMCFBWPNABS-ZDUSSCGKSA-N 379.394 0.173 0 40 GCAB COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 4829784 OXTHFKCKGAOLPM-LBPRGKRZSA-N 387.440 0.942 0 40 GCAB COc1ccc(-c2nc(SCC(=O)O)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 4960346 QTAXRXQDXOQMRD-UHFFFAOYSA-N 388.405 0.880 0 40 GCAB CCOc1cc(CNn2nnnc2N)cc(Br)c1OCC(N)=O 7601878 NWIORNCMEVZQOM-UHFFFAOYSA-N 386.210 0.024 0 40 GCAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc3ccccc3c1=O)C2=O 14129154 SKHDNPFHHAHPKJ-UHFFFAOYSA-N 383.408 0.928 0 40 GCAB C[C@@H](CN1CCOCC1)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C 19456248 QPJJGQAGRZSSDA-HNNXBMFYSA-N 387.484 0.548 0 40 GCAB CC(=O)c1cccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 19991832 OSZRKNYUGGPIOF-UHFFFAOYSA-N 397.497 0.494 0 40 GCAB Cc1ccc(-c2nnn(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)n2)cc1 31648526 LJUKZSOARPLPNC-UHFFFAOYSA-N 380.412 0.486 0 40 GCAB CCOC(=O)C1CCN(C(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)CC1 32950621 PTRGHMUCMCDFQS-ZDUSSCGKSA-N 398.485 0.644 0 40 GCAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 36398851 VEKVTCAWOODBCE-LBPRGKRZSA-N 384.433 0.072 0 40 GCAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCCCc1ccccc1 49400047 CDMMBDPXKYQGBH-UHFFFAOYSA-N 396.451 0.477 0 40 GCAB COc1ccccc1N1CCN(c2nc(N3CCOCC3)c3nn[nH]c3n2)CC1 70655790 DJZWXVKWMLQUAZ-UHFFFAOYSA-N 396.455 0.920 0 40 GCAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 218787753 YLBBBUXQYCFUCB-QGZVFWFLSA-N 397.497 0.442 0 40 GCAB O=C1CCCN1Cc1cn(C2CN(C(=O)Cc3ccc4c(c3)OCO4)C2)nn1 225632302 QTTNSTBDFYKYOK-UHFFFAOYSA-N 383.408 0.755 0 40 GCAB Cc1n[nH]c(SCCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)n1 226040628 OYEQNEZNHOMEJX-UHFFFAOYSA-N 375.520 0.916 0 40 GCAB COc1ccc(Cl)cc1-c1cc(NC(=O)CN2CC(=O)N(C)C2=O)n[nH]1 585124340 YEFQIBCNSFKVRD-UHFFFAOYSA-N 377.788 1.571 0 40 GCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)CC1(O)CCC1)C2 1614930199 LVNHLSFAUPFJRG-ZDUSSCGKSA-N 378.473 0.669 0 40 GCAB COCCn1cnc2c(N3C[C@@H]4CN(c5ncc(F)cn5)C[C@H]4C3)ncnc21 1888906692 NQTVCBMTKGGSOQ-CHWSQXEVSA-N 384.419 0.974 0 40 GCAB O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CN(S(=O)(=O)Cc1ccccc1)CCO2 2055795894 QOCBWPCZRJEPIF-MJGOQNOKSA-N 394.493 0.856 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1 818169 ANOCCRDPLDJYNB-UHFFFAOYSA-N 383.470 0.348 0 40 GCAB Cc1c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)ccc12 2100859 DLSPEGRJURWCRI-ZDUSSCGKSA-N 391.380 0.367 0 40 GCAB biogenic CCOCCn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)cn23)n(C)c1=O 4314232 HEBHJKXDQOJOJC-CYBMUJFWSA-N 375.429 0.673 0 40 GCAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 4732773 YLJCQHVVNSTFDH-UHFFFAOYSA-N 375.362 0.804 0 40 GCAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 5461432 IAJCBRQYWHEYSN-YPMHNXCESA-N 379.417 0.134 0 40 GCAB Cc1nc(C)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 7781489 KOJOAKURUDFAEY-UHFFFAOYSA-N 397.478 0.923 0 40 GCAB CC(C)NC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8168439 JYFNODCLZDFISZ-ZDUSSCGKSA-N 385.461 0.867 0 40 GCAB CCNC(=O)[C@H](C)NC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)[C@H](C)CC 8729108 JOYRQFJXDRHADZ-TYNCELHUSA-N 394.497 0.781 0 40 GCAB Nc1nonc1-n1nnc(C(=O)O)c1CN1CCN(Cc2ccccc2)CC1 20572291 SASIAFZXDJRVOI-UHFFFAOYSA-N 384.400 0.249 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)CC1 22136657 XHNIVNSDLRGYNY-CQSZACIVSA-N 391.538 0.061 0 40 GCAB COc1ccccc1NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O 32682538 PANACEDZWJELKZ-UHFFFAOYSA-N 387.440 0.767 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 35597456 CZROYDCXEBBQQN-UHFFFAOYSA-N 399.450 0.964 0 40 GCAB CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 36569592 RNNBHRJKHVEISM-UONOGXRCSA-N 394.431 0.792 0 40 GCAB COc1ccc2cnn(CC(=O)N3CCC[C@H](C(=O)O)C3)c(=O)c2c1OC 61719415 AQUDGHLBSFAMIA-LBPRGKRZSA-N 375.381 0.737 0 40 GCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71279906 IQHYSKPVXLMYOE-AWEZNQCLSA-N 393.440 0.097 0 40 GCAB Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)c1 72335115 NYYBSFKMQZQVKS-ZFWWWQNUSA-N 393.469 0.961 0 40 GCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN[C@@H]1C=CS(=O)(=O)C1 72394845 ZOUYYQZMXGUSNQ-CVEARBPZSA-N 379.482 0.238 0 40 GCAB COCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(S(N)(=O)=O)ccc21 100873041 XTPJPCALPFYKRL-ICFOKQHNSA-N 399.450 0.312 0 40 GCAB CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 103507753 RNNBHRJKHVEISM-ZIAGYGMSSA-N 394.431 0.792 0 40 GCAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cnn(C)c4)C[C@H]32)cc1 306145028 ZVJWSJSMZTWRQX-ROUUACIJSA-N 392.463 0.724 0 40 GCAB COc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1OC 408624470 QJDYQNVOUKSDCC-UHFFFAOYSA-N 396.469 0.873 0 40 GCAB O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)c1cccs1 514288737 AYAFGYJZMPJMIB-GMXVVIOVSA-N 382.454 0.886 0 40 GCAB biogenic,in-vitro O=C(CSc1ncccn1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 575610629 LXICWQBCDFFPJK-UHFFFAOYSA-N 383.441 0.288 0 40 GCAB Cn1cc(CN(C(=O)c2cc3ccccc3o2)[C@@H]2CCNC2)c(=O)n(C)c1=O 583622012 WKMXHDKEVUAEHI-OAHLLOKOSA-N 382.420 0.835 0 40 GCAB O=C(NC[C@]1(O)CN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1ccccn1 585271316 WDOKLRLCWLFBGN-QUCCMNQESA-N 389.427 0.768 0 40 GCAB N[C@@H](CC(=O)O)C(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 585285369 OUPMGVCEVMOLAZ-MVWRLGRASA-N 375.425 0.019 0 40 GCAB COc1cccc(CN2C[C@@H]3C[C@H](NC(C)=O)CN3C(=O)[C@@H]2CNC(C)=O)c1 2332241989 GLSXHCFJGJIFHO-LNLFQRSKSA-N 388.468 0.121 0 40 GCAB CCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C 1846119 WASSPWIQUYTERZ-UHFFFAOYSA-N 376.461 0.326 0 40 GCAB CNC(=O)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372989 KPDBGPDOYRMGIQ-UHFFFAOYSA-N 385.332 0.688 0 40 GCAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(C(=O)C2CC2)CC1 9389515 CHWOBIFGJPYCBZ-UHFFFAOYSA-N 383.445 0.575 0 40 GCAB O=C(CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1)NC1CC1 12616121 KMMPQNLCXJZMTP-UHFFFAOYSA-N 395.463 0.328 0 40 GCAB CCNC(=O)CNC(=O)Nc1ccc(C)c(NC(=O)NCC(=O)NCC)c1 14244927 XMEZMOMYEXHVTO-UHFFFAOYSA-N 378.433 0.510 0 40 GCAB COCCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 15336778 RYNRQBHCFITXIC-UHFFFAOYSA-N 395.525 0.634 0 40 GCAB CCCn1cc(S(=O)(=O)N2CC[C@@]3(NC(C)=O)CN(C)C[C@H]3C2)c(C)n1 19713029 YAVKJNZZFNTBEI-DOTOQJQBSA-N 383.518 0.432 0 40 GCAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22914607 SZCMBCLMBONNIW-NVXWUHKLSA-N 377.510 0.769 0 40 GCAB CNC(=O)NC(=O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 22931551 SDZWAIRAYHNUTI-OAHLLOKOSA-N 382.848 0.627 0 40 GCAB Cn1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 32771477 KLIBBZPNKQNEBI-UHFFFAOYSA-N 387.458 0.859 0 40 GCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nn1 72324230 OFTIHYUMVPJWTI-CQSZACIVSA-N 389.460 0.249 0 40 GCAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCC(OC)OC)[C@H]4C2=O)cc1 85419006 OFHUHVDPVRUHFV-VERUCKTNSA-N 388.420 0.717 0 40 GCAB CC(C)OCCC(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998294 FQGLEFWEGGVMNR-KRWDZBQOSA-N 377.489 0.875 0 40 GCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 97013938 KKEJDCJDEKJJJO-NSHDSACASA-N 377.426 0.985 0 40 GCAB CCC(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)=C1C(=O)NC(=O)NC1=O 101084595 JUEXFRGQARFZCE-AWEZNQCLSA-N 384.392 0.872 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@H]2O)c(O)nc1=O 257239708 HQKZKEKCMRLLHK-HZPDHXFCSA-N 383.408 0.442 0 40 GCAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)Cn3cnc4ccccc43)[C@H]2O)CC1 257272937 NELMKRTZFDTKIA-YFVAEKQCSA-N 399.495 0.599 0 40 GCAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 260458081 XZFKAHCDASHHLZ-ZACQAIPSSA-N 388.578 0.989 0 40 GCAB CNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)CN1CC1CC1 575406231 WEGJWUHKWSKWMX-FUHWJXTLSA-N 385.464 0.428 0 40 GCAB COc1ccc(S(=O)(=O)NC[C@@]2(O)CCCc3occc32)cc1C(N)=O 1565523317 KJKKEGSZPHFIHZ-KRWDZBQOSA-N 380.422 0.890 0 40 GCAB C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 624969 GNFTWPCIRXSCQF-GYKLNZOXSA-N 378.465 0.752 0 40 GCAB world CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363810 VUYYIVRINKTMEC-CQSZACIVSA-N 392.485 0.835 0 40 GCAB C[C@@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 5251902 VMXZCSNAMJKNOC-SNVBAGLBSA-N 387.371 0.908 0 40 GCAB C[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 6602093 VZLGULSBJHTJAV-ZDUSSCGKSA-N 391.449 0.534 0 40 GCAB C[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)O 6602854 ZEGUMFFADBKMSG-CZOCAIASSA-N 379.457 0.398 0 40 GCAB O=C(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)N1CCOCC1 7783124 CRUISSJUGREMTF-UHFFFAOYSA-N 375.425 0.605 0 40 GCAB Nc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n[nH]1 9127640 MURFHHSAOJHIHC-UHFFFAOYSA-N 382.471 0.902 0 40 GCAB C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(Cl)c1 12576077 DQUDXUULGJCYOD-JTQLQIEISA-N 375.816 0.965 0 40 GCAB CC(C)c1nnc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)s1 12806234 HOGLOUUSACVRAW-VIFPVBQESA-N 385.471 0.766 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 12972855 ZAVFOUWQNWMFEJ-UHFFFAOYSA-N 375.472 0.347 0 40 GCAB O=CN1CCN(C(=O)Nc2ccc(NC(=O)N3CCN(C=O)CC3)cc2)CC1 19075243 YLWNLIIDBZUWJG-UHFFFAOYSA-N 388.428 0.298 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2nncs2)c1 22704953 IQNSFBUULDCYBU-UHFFFAOYSA-N 397.482 0.937 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)sc1C 24751900 PPWGSDFTPXLASX-LBPRGKRZSA-N 394.540 0.679 0 40 GCAB CS(=O)(=O)N1CCN(CCNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1 44226855 JFAZJZZEGYOQJP-UHFFFAOYSA-N 377.470 0.384 0 40 GCAB Cc1csc(CNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)n1 48272394 DSJJIOZDEVGSOS-UHFFFAOYSA-N 377.470 0.929 0 40 GCAB O=C(c1ccc2c(c1)COCO2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998933 GDVQRRAWFQTAKW-INIZCTEOSA-N 396.465 0.820 0 40 GCAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(S(=O)(=O)C1CC1)C2 96077229 ZAWGPOLNWPEOCL-SFHVURJKSA-N 377.466 0.818 0 40 GCAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N(C)CCN(C)C 96113012 GFCHOLPAQTUBCN-ZWKOTPCHSA-N 376.501 0.967 0 40 GCAB biogenic,in-vitro Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3cn4c(n3)CCCC4)ccc21 97000826 CBMFENFMLLJQJN-UHFFFAOYSA-N 375.454 0.888 0 40 GCAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)COCC(=O)O 257201864 AJIXZCIZIVKXAY-UHFFFAOYSA-N 388.424 0.521 0 40 GCAB Cc1ccc(S(=O)(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 575414350 GTMZRHIWQWDXHH-CYBMUJFWSA-N 378.541 0.986 0 40 GCAB CN(C)CCn1c(=O)oc2ccc(NC(=O)CN3C(=O)NC(=O)C3(C)C)cc21 605426284 DJCLIXLCBXMRPV-UHFFFAOYSA-N 389.412 0.425 0 40 GCAB CN(C)S(=O)(=O)N1CCN(CCOc2ccc(C(=O)O)cc2Cl)CC1 656762010 ZAGWKJCXKDJJOY-UHFFFAOYSA-N 391.877 0.841 0 40 GCAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3377055 UCAMTWLKFUBGGT-UHFFFAOYSA-N 377.806 0.378 0 40 GCAB C[C@H](O)CNC(=O)CSc1nc2ccccc2n1CC(=O)NC[C@H](C)O 5387119 RRKZMYXJSCTDTM-RYUDHWBXSA-N 380.470 0.122 0 40 GCAB COc1ccc2c(C)c(CCC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c(=O)oc2c1 8764424 OCDADJYOELRIFF-GJZGRUSLSA-N 395.433 0.317 0 40 GCAB biogenic CN(C)C(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 12740610 QEZAOLJTNAWGNG-UHFFFAOYSA-N 381.392 0.586 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNC(=O)[C@@H]3C)C2)cc1 13595615 CRGVOQGMPAWRKI-LSDHHAIUSA-N 379.482 0.743 0 40 GCAB CCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 14399283 OEDYSZMIHHBNGS-AWEZNQCLSA-N 384.454 0.909 0 40 GCAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)Cn4ccnc4)CC3)cc2n1 19585735 QIPHLPYMGHSHSU-UHFFFAOYSA-N 381.440 0.987 0 40 GCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 21668224 LGJZYAFYVUMNAD-GFCCVEGCSA-N 386.426 0.853 0 40 GCAB O=C(Cc1cnn(-c2ccccc2)c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 40094546 URMNSMQTFDVOIS-OAHLLOKOSA-N 390.465 0.224 0 40 GCAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccco1 50145422 JWDIZFXDVXUVKT-HNNXBMFYSA-N 385.424 0.828 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COCC(F)(F)F)CC1 58953192 PIACIMJDBSZYMT-UHFFFAOYSA-N 385.364 0.703 0 40 GCAB O=c1ccc(-c2cccs2)nn1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 72406454 YMNKMHFCYFCUSA-AWEZNQCLSA-N 394.522 0.734 0 40 GCAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1C 78752270 XCINFWFECYFVNL-CABCVRRESA-N 390.440 0.379 0 40 GCAB COCCn1ccc2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc21 95472375 XAICGLGMWKPICS-UHFFFAOYSA-N 394.497 0.852 0 40 GCAB COc1ccc(S(=O)(=O)N2CC(NC(=O)N[C@H](C)c3nncn3C)C2)cc1 96004147 HBYZUWQYLRRULI-LLVKDONJSA-N 394.457 0.257 0 40 GCAB CN1C[C@H](NS(C)(=O)=O)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 96113361 PWHXTOZCJNBCQV-HZPDHXFCSA-N 396.513 0.606 0 40 GCAB biogenic,in-vitro C[C@H]1CCC[C@@H](NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@@H]1C 100986171 DWUBVTFHAOGKPT-HBNTYKKESA-N 379.486 0.993 0 40 GCAB CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)C1 108377873 HJSOHWVFYUOWOJ-GXFFZTMASA-N 376.381 0.878 0 40 GCAB COc1ccccc1CC(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 225597625 SGJXHELTZKAITJ-UHFFFAOYSA-N 392.481 0.894 0 40 GCAB C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408614340 BBZGUXGBHPUJPB-HUUCEWRRSA-N 389.452 0.538 0 40 GCAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@H](C)CC(=O)O)CC1 566481720 BITBUWVQFVQQRR-ZDUSSCGKSA-N 383.470 0.744 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)c1 1258994816 DBPFGAMYZIQXKP-NWANDNLSSA-N 394.453 0.498 0 40 GCAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)OC)n2N)c1 3318129 LUDUOUODMGTBPF-UHFFFAOYSA-N 399.498 0.955 0 40 GCAB CC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1 4473027 HCNMYIOLLLUCCQ-UHFFFAOYSA-N 397.501 0.343 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ncccn2)CC1 5938265 BKKOWFBNDWDVLW-UHFFFAOYSA-N 377.426 0.095 0 40 GCAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCOCC1)n2C 8392940 ZPWHPKPPQWHZCH-UHFFFAOYSA-N 380.470 0.615 0 40 GCAB CC1(C)Cc2c(sc3nc(O)n(CC(=O)NCCCCN)c(=O)c23)CO1 8914200 VVXORNSASYEVCE-UHFFFAOYSA-N 380.470 0.870 0 40 GCAB Cc1ccccc1Cn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 22923829 AODOTDAEASFOST-UHFFFAOYSA-N 396.495 0.538 0 40 GCAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 32641432 AQHJUPSRPLUUOF-GXTWGEPZSA-N 399.465 0.824 0 40 GCAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(F)cc2)c1=O 32682531 OQECKMGURKNOSU-UHFFFAOYSA-N 375.404 0.897 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 58666405 LCELLORAVIAJGW-NGEICVOHSA-N 393.532 0.977 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3cccnc3)C2=O)o1 79015346 MPMUGWBDPPICKQ-INIZCTEOSA-N 378.410 0.892 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cscn1)C2 96050434 CDZWHOFQEGGGDA-QGZVFWFLSA-N 388.453 0.357 0 40 GCAB CN(C)C(=O)N1CCC2(CC1)Cc1nnc(C(=O)NCc3ccncc3)n1C2 306126355 DTJNPBUSXISOED-UHFFFAOYSA-N 383.456 0.923 0 40 GCAB CN1C(=O)CCC[C@H]2N(C(=O)/C=C/c3ccnn3C)C[C@H](O)[C@H](O)C[C@@]21C 585289981 PERFQTRFHICHPF-IPPHNGGJSA-N 376.457 0.157 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ncc[nH]2)CC1 585293909 ATQKTSFIENJQTN-UHFFFAOYSA-N 378.429 0.444 0 40 GCAB CC(C)CN1CCN(C(=O)Cn2nc3n(c2=O)C(=O)N(c2ccccc2)C3)CC1 1547201193 OLNLUUJEWUMHDI-UHFFFAOYSA-N 398.467 0.833 0 40 GCAB Cn1nc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)ccc1=O 1888890591 CFGZIVMDRMOJFB-ZIAGYGMSSA-N 378.436 0.875 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 2055816042 IFZQMCTUIODFAU-GOSISDBHSA-N 381.498 0.962 0 40 GCAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)C[C@@H](C)O1 3430132 MFYLSGXSLHWLMG-CRTZDJKQSA-N 389.408 0.818 0 40 GCAB Cc1nc(C)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 4733094 LUSPIHUGAHZFCR-UHFFFAOYSA-N 377.470 0.818 0 40 GCAB NC(=O)c1nn(CC(=O)Nc2ccc(-n3cnnn3)cc2)c(=O)c2ccccc12 9591567 PNZRIZARDJFOKA-UHFFFAOYSA-N 390.363 0.110 0 40 GCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NC[C@@H]1CCCO1 11904562 CYTAJDWTEGOJMQ-ZDUSSCGKSA-N 388.467 0.519 0 40 GCAB CCn1nnc2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc21 14230155 YBNVMRZHFFIAKY-CQSZACIVSA-N 377.470 0.396 0 40 GCAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)CNC2=O 19562753 KACSFIXONLKALO-HXUWFJFHSA-N 387.436 0.847 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 41167237 PGUVJHAAVXWBHU-LSDHHAIUSA-N 379.482 0.827 0 40 GCAB CNC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(OC)c1)S3(=O)=O)O2 96145952 ASOYMNUURZOAAG-VYDXJSESSA-N 381.454 0.392 0 40 GCAB O=C(CCc1nnc2ccccn2c1=O)N1CCN(CCc2ccncc2)CC1 96231820 YYYOWIARSCYHHI-UHFFFAOYSA-N 392.463 0.804 0 40 GCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 97012737 VFBXIPUGFGTJGR-OAHLLOKOSA-N 399.494 0.894 0 40 GCAB CCOCCCN1CC[C@H](N[C@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 108503104 KAXRWMBPXYSZTP-LMMKCTJWSA-N 382.549 0.792 0 40 GCAB CC(C)S(=O)(=O)N1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 524733443 KVOLPLRVIOWPTR-UHFFFAOYSA-N 398.533 0.896 0 40 GCAB CS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)c1ccnn12 1772596490 MDCNXMSLFOIZAH-UHFFFAOYSA-N 375.454 0.966 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nccn4c(C)nnc34)CC2)n1 1889175219 HHUPRPZQGKDITE-UHFFFAOYSA-N 395.471 0.694 0 40 GCAB Cc1ccc(CNC(=O)CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cc1 2086868938 DSNKGUNBNVCWOL-QGZVFWFLSA-N 377.510 0.887 0 40 GCAB CNC(=O)CSc1nc(-c2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 5056573 KBYMNMXDKCTBFQ-UHFFFAOYSA-N 389.412 0.671 0 40 GCAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(CC4CC4)C3)nc(O)c2C1 19583770 XJBDVLDVKBTCDY-CQSZACIVSA-N 395.529 0.936 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(Cl)cc1 20567898 KICKJWRHNVWRKG-UHFFFAOYSA-N 389.905 0.945 0 40 GCAB O=C(CN1CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1)NC1CC1 22799951 QUHMHYXDUAIKSJ-UHFFFAOYSA-N 384.480 0.892 0 40 GCAB CCn1c(=O)c(C(=O)CN2CCN(C)CC2)c(N)n(Cc2ccccc2)c1=O 22933306 GYUNRINZOCXANG-UHFFFAOYSA-N 385.468 0.091 0 40 GCAB C[C@@H](OC(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)N1CCNC1=O 31678182 SGTUZCNRCRTGMP-GFCCVEGCSA-N 375.381 0.676 0 40 GCAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1)C(=O)OC 32123973 LQASKYIBVYEDEW-XJKSGUPXSA-N 387.396 0.567 0 40 GCAB biogenic COc1c2c(c(S(=O)(=O)N3CCN(C)CC3)c3c1OCO3)CCN(C)C2 40312430 RKEVJGUVSJNOSS-UHFFFAOYSA-N 383.470 0.348 0 40 GCAB biogenic CCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 58227193 IWCGYBOZSHIIKP-QGZVFWFLSA-N 388.578 0.677 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473921 SJKPREHZRXHEIV-UWVGGRQHSA-N 380.401 0.358 0 40 GCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(c3ncccn3)CC2)C1 96004963 JWXBIGCFMYACGN-UHFFFAOYSA-N 379.486 0.329 0 40 GCAB COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12 104194537 DFPQFFFHZUYNTL-QEANDHDQSA-N 378.377 0.944 0 40 GCAB Nc1ncnc2c1c(I)cn2[C@@H]1C[C@H](O)[C@@H](CO)O1 143112580 LIIIRHQRQZIIRT-RNJXMRFFSA-N 376.154 0.259 0 40 GCAB O=C(c1ccc(Cl)cc1)N(CCS(=O)(=O)O)[C@@H]1CCS(=O)(=O)C1 217410973 FALJCCQBXDWSJU-GFCCVEGCSA-N 381.859 0.857 0 40 GCAB O=C(CNS(=O)(=O)c1ccccc1F)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 519587378 XGMSGZWUTPNTNO-JSGCOSHPSA-N 390.458 0.282 0 40 GCAB COc1cc(S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1C(=O)O 568622800 GMSLEQZMYOLIKY-ZJUUUORDSA-N 379.456 0.836 0 40 GCAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)c1ccc2c(c1)CCO2 585592818 TUCXMPIDMGAQJF-UHFFFAOYSA-N 386.437 0.569 0 40 GCAB CCN(CC)[C@H]1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 641839863 LPBCYDKELYTYDU-MOPGFXCFSA-N 381.565 0.909 0 40 GCAB O=C(CCn1cc(Br)cn1)NC[C@@H]1CC2(CCNCC2)C(=O)O1 1522947637 RPSRBSFDWSHBEY-LBPRGKRZSA-N 385.262 0.837 0 40 GCAB O=C(NCCCn1ccnc1)[C@H]1C[C@@]2(CO1)CN(Cc1nccs1)CCO2 1565541993 TZGSKARRIYOMRX-QAPCUYQASA-N 391.497 0.906 0 40 GCAB O=C(c1csnn1)N1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 1565545518 JCRFXYUGPIDNMM-MRXNPFEDSA-N 375.410 0.208 0 40 GCAB Cn1cc(C[C@H](CO)NS(=O)(=O)c2cccnc2OCC(F)F)cn1 1669849975 NOKMRYFVHIXKTF-LLVKDONJSA-N 376.385 0.341 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1 1775973922 QINXDPSVFZEXLP-UHFFFAOYSA-N 383.470 0.084 0 40 GCAB CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 10679937 FIKWAYHUGFEUFL-UHFFFAOYSA-N 387.483 0.274 0 40 GCAB O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 12517535 BIYKGWQMGNOQCT-AWEZNQCLSA-N 395.462 0.799 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1C(N)=O 13986524 XZDKVNCBSSVCGW-CYBMUJFWSA-N 380.470 0.313 0 40 GCAB Cc1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(=O)n1C 19131755 QKZDIKSGSLEMDA-HNNXBMFYSA-N 383.452 0.955 0 40 GCAB CCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 22357005 KTQIVUWBYLRJTN-UHFFFAOYSA-N 396.513 0.941 0 40 GCAB O=c1cc(CN2CCN(c3nnnn3-c3ccccc3)CC2)nc2ccccn12 26203691 YHLAMYHLXPFSOI-UHFFFAOYSA-N 388.435 0.992 0 40 GCAB Cn1c(N)c(C(=O)CN2CCn3cccc3[C@@H]2c2ccccc2)c(=O)[nH]c1=O 48374420 BIXUGQGRDUJBBG-KRWDZBQOSA-N 379.420 0.745 0 40 GCAB CCCn1c(N)c(C(=O)CN(C)Cc2cccc(OC)c2OC)c(=O)[nH]c1=O 58166910 KYCCIIQNYFWXBJ-UHFFFAOYSA-N 390.440 0.861 0 40 GCAB COc1ccc(C)cc1NC(=O)CNC(=O)CNC1(C(N)=O)CCCCC1 75105454 FGMCJNFENVVLJZ-UHFFFAOYSA-N 376.457 0.836 0 40 GCAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C1 225388597 HPQILTZJCIEDNR-UKRRQHHQSA-N 390.440 0.492 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]2(CC[C@@H](CN(C)C)O2)C1 306141030 VJJVLKPTQGMCGH-DOTOQJQBSA-N 386.518 0.537 0 40 GCAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cc2cccnc2nc1O 575414881 ZCHUNMTYFUJVEU-AWEZNQCLSA-N 390.465 0.717 0 40 GCAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)N3CCCC3)CC2)c1=O 575615126 FKZVYMUNZQPJJF-UHFFFAOYSA-N 383.396 0.578 0 40 GCAB Cn1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cn1 585138372 KXHFQRHAORSJSH-UHFFFAOYSA-N 377.470 0.156 0 40 GCAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCN2CCCC2)[C@@H](O)C1 585283212 DEJQDADAVMTBIC-HKUYNNGSSA-N 381.904 0.963 0 40 GCAB C[C@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 1260857 GOKQVRGCHCEMMU-SNVBAGLBSA-N 377.832 0.928 0 40 GCAB O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)[C@@H]1COc2ccccc2O1 1351420 PUSUKYPNGXIDPO-ZDUSSCGKSA-N 390.421 0.718 0 40 GCAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 24243273 HRLYFNZDFUZPCM-OAHLLOKOSA-N 394.541 0.722 0 40 GCAB CCOc1ccccc1C(=O)NCC(=O)N1CCCN(S(C)(=O)=O)CC1 24778763 BLBJJCDBUXZAIC-UHFFFAOYSA-N 383.470 0.309 0 40 GCAB COCCn1c(N)c(C(=O)CN(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]c1=O 29116453 AGZWJJKAHMQIAE-UHFFFAOYSA-N 390.415 0.752 0 40 GCAB COc1cc(C)c(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1OC 32743343 AXAOIYLADMXACR-HOTGVXAUSA-N 384.498 0.288 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1ccc2c(c1)OCCO2 36360517 XKFDKZUVPMWKDT-UHFFFAOYSA-N 394.387 0.923 0 40 GCAB CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 40157342 XKKKRQDYXKEXKQ-UHFFFAOYSA-N 379.232 0.602 0 40 GCAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(C)(=O)=O)CC1 52854759 GUZSCUNTOONXTM-HNNXBMFYSA-N 385.461 0.684 0 40 GCAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)n1 70655921 LOOYMPOSFSCVFI-UHFFFAOYSA-N 394.439 0.185 0 40 GCAB O=C(Nc1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)co1)c1cnccn1 77099835 WTTNJHHAMKOBHP-UHFFFAOYSA-N 396.363 0.908 0 40 GCAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 101998675 YYAVVEHWOUBCRK-BKEDOTJMSA-N 378.377 0.859 0 40 GCAB biogenic Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)(C)C)C3)C2=O)o1 225398046 DFEHMXSRSLFBTN-ZBFHGGJFSA-N 375.469 0.993 0 40 GCAB biogenic,in-vitro CN(C)c1ccc(O[C@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nn1 225445731 RFYPHUNEORDDOR-AWEZNQCLSA-N 397.501 0.194 0 40 GCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@@H]21 247519728 LCHSQXCYKKXDNJ-BFYDXBDKSA-N 375.450 0.871 0 40 GCAB Cn1cc(C(=O)N2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)cn1 248153516 VALDAEXGIRKBBT-CQSZACIVSA-N 376.438 0.523 0 40 GCAB CN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)O)cc2Br)CC1=O 314964546 PAJMJCZZJPCBGH-QMMMGPOBSA-N 377.216 0.656 0 40 GCAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)Cn1cnc3ccccc3c1=O)C2 585150300 LMMIALUEPBOOGE-CQSZACIVSA-N 378.436 0.926 0 40 GCAB CS(=O)(=O)c1ccc(NCC(=O)N2CC3(CCNCC3)[C@H]3COC[C@H]32)cc1 1615592305 XAKCMAMCQYEVJY-DLBZAZTESA-N 393.509 0.729 0 40 GCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 4166128 XTUDHJLNFKSDAU-UHFFFAOYSA-N 383.408 0.878 0 40 GCAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 4574706 ZJNITTSQIVIBPV-ZENOOKHLSA-N 392.456 0.434 0 40 GCAB O=C1C[C@@H](NC2CC2)C(=O)N1c1ccc(N2C(=O)C[C@@H](NC3CC3)C2=O)cc1 4954108 CYDURKKWJKRXOC-HZPDHXFCSA-N 382.420 0.454 0 40 GCAB O=C(O)CO[C@H]1CC(=O)N2c3ccccc3[C@@]34CCN5C(=O)C(=O)[C@@H](C[C@@H]53)[C@@H]1[C@H]24 5049540 SOQOBVXYWQJKPR-BSHNXDIFSA-N 396.399 0.333 0 40 GCAB CCS[C@H]1[C@@H](OC(C)=O)[C@H]([C@@H](COC(C)=O)OC(C)=O)O[C@@H]1OC(C)=O 5120801 STZCNEXTAMKTRZ-YXMSTPNBSA-N 392.426 0.823 0 40 GCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 6085367 JKVWMFUWATUCGR-SMDDNHRTSA-N 397.453 0.150 0 40 GCAB CCn1c(=O)c(=O)n(Cc2cc(C)no2)c2cc(S(=O)(=O)N(C)C)ccc21 12999865 VQADVHIBXOIAHY-UHFFFAOYSA-N 392.437 0.778 0 40 GCAB CCc1nnc2ccc(OCCNC(=O)COc3ccc4c(c3)OCO4)nn12 13843745 QNQQMUUIYSPSRC-UHFFFAOYSA-N 385.380 0.989 0 40 GCAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)C3CC3)CC2)C1=O 14093201 WDDGJNQYBCDWBT-FQEVSTJZSA-N 399.451 0.039 0 40 GCAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCN(S(C)(=O)=O)CC3)ccc12 20426934 ABNYUPSKBASJKR-CQSZACIVSA-N 396.465 0.418 0 40 GCAB biogenic COc1ccc(CNC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 20768903 KJVSKCPZAQOBQI-UHFFFAOYSA-N 377.422 0.275 0 40 GCAB COC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 23152197 NGGKSVPBNUCZBD-UHFFFAOYSA-N 387.458 0.760 0 40 GCAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)CCO1 29878450 YFJGPFZNORTWIB-BUXKBTBVSA-N 389.408 0.516 0 40 GCAB CCn1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2c1=O 35338694 ZTPYHESZHKEHEH-UHFFFAOYSA-N 383.452 0.453 0 40 GCAB CS(=O)(=O)N1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36360602 SDZLGQPMVLTJMF-MRXNPFEDSA-N 395.437 0.429 0 40 GCAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 80332213 HCFBIJSVCFXLRO-HBUWYVDXSA-N 397.497 0.306 0 40 GCAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](O)[C@@H](Cc2cn3cccc3cn2)C1 257343969 ZVDPWGUUBHZYTE-RYGJVYDSSA-N 380.448 0.972 0 40 GCAB O=C(c1csnn1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1565548589 FTFKTWNVWBJDNI-WBMJQRKESA-N 377.426 0.185 0 40 GCAB Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 2037883907 GYGPUUWELHFFRC-DBXWQHBBSA-N 399.495 0.517 0 40 GCAB O=C(NC1CCCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243294 YTESZGBLWJSWHN-AWEZNQCLSA-N 386.449 0.542 0 40 GCAB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(I)cc1 3338035 XVFJAUOREAYWEI-ZETCQYMHSA-N 391.165 0.830 0 40 GCAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[C@H]1CCS(=O)(=O)C1 6231605 LAJHBTFCNHHABM-MGPLVRAMSA-N 397.478 0.135 0 40 GCAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)s1 12893349 FDTDLYFZBCXMPP-UHFFFAOYSA-N 388.496 0.576 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCC1 19079921 NQSNUUGMDOSOBK-UHFFFAOYSA-N 381.483 0.230 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)c(Cl)c1 19991840 MUGNVUHAYCGSEO-UHFFFAOYSA-N 393.868 0.694 0 40 GCAB CC(C)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C)CC1 22916396 JNESWUFHRIZIHO-MRXNPFEDSA-N 383.518 0.728 0 40 GCAB CC(C)NC(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O 77264904 NIMFJIHKWMARSX-OAGGEKHMSA-N 385.486 0.016 0 40 GCAB biogenic,in-vitro NC(=O)N1CCN2C(=O)N(C[C@@H](O)COc3ccc(Cl)cc3)C(=O)[C@H]2C1 78752333 TZMWHBIWXHIJOC-DGCLKSJQSA-N 382.804 0.107 0 40 GCAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)cc1 83852235 ZFEUBZFMWMWOMH-UHFFFAOYSA-N 377.469 0.165 0 40 GCAB CCCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCN(C)CC1)Cn1ccnc12 96243751 GRSWEPWJCZUORR-MRXNPFEDSA-N 389.500 0.674 0 40 GCAB CCOC(=O)Cn1/c(=N/C(=O)C(C)C)sc2cc(S(N)(=O)=O)ccc21 100877619 GBWWBHHMKOHWJM-ICFOKQHNSA-N 385.467 0.997 0 40 GCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1cc(C)ccc1C 225935187 AVMYFUJTBJWNLR-UHFFFAOYSA-N 383.514 0.762 0 40 GCAB O=C(CNC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1)OCc1ccccc1 253471740 FJPKKHMEDMMMGA-UHFFFAOYSA-N 392.419 0.958 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C(N)=O 257200571 ADVRZMKZEPDEFR-QGZVFWFLSA-N 384.484 0.647 0 40 GCAB NCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257258310 KTHPAVQBVLMQSV-ZJOUEHCJSA-N 375.513 0.760 0 40 GCAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257269088 MOMQACQUYNCIBY-HOCLYGCPSA-N 375.425 0.279 0 40 GCAB Cn1ncnc1[C@@H]1COCCN1C(=O)CCCn1nnc(-c2ccccc2)n1 585081196 MLUJPSJDYJITSV-HNNXBMFYSA-N 382.428 0.849 0 40 GCAB CC(C)CNC(=O)c1nnc2n1C[C@]1(CCN(C(=O)c3csnn3)C1)OC2 1614936544 AKNDHJHMDLAVJG-MRXNPFEDSA-N 391.457 0.331 0 40 GCAB CN(C)CC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1CN(C)CCN12 1772595437 WVNIRYXJMAJXLY-LJQANCHMSA-N 399.539 0.525 0 40 GCAB Cc1ccc(Cl)c(OCC(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)c1 2037888041 VCCMRHKJPVFSDW-MDZRGWNJSA-N 398.887 0.682 0 40 GCAB COc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O 806629 VCSSBSWTTXKOTR-MRXNPFEDSA-N 376.394 0.744 0 40 GCAB CSc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 4995508 IRFZERSLBNKSOA-UKHPNBTGSA-N 376.232 0.527 0 40 GCAB Cc1nc(SCC(=O)NC2CCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 6479709 MXPCEKQIBFICKJ-UHFFFAOYSA-N 377.470 0.877 0 40 GCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NCC(F)(F)F)C2=O 6508085 OUPDPCRSTLNZQI-YMTOWFKASA-N 379.335 0.709 0 40 GCAB COCCn1c(C(=O)NCC(=O)c2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 11835576 SRNPDKGBNDPXED-UHFFFAOYSA-N 398.419 0.298 0 40 GCAB Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1 12681540 SAHAALFPPKEKOV-UHFFFAOYSA-N 399.436 0.713 0 40 GCAB O=C1CN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)CCN1 13690501 REVWJINPWXQUCD-UHFFFAOYSA-N 397.472 0.869 0 40 GCAB Cc1cc2ccccc2n2c(=O)n(C[C@@H](C)NC(=O)CN3C(=O)CCC3=O)nc12 19126926 OTRVYBBGGJMXNV-CYBMUJFWSA-N 395.419 0.611 0 40 GCAB Cc1cc(N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)cc([C@H]2CCNC2)n1 19739033 AASHNJAEEMMOMU-KRWDZBQOSA-N 396.495 0.681 0 40 GCAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 20529196 BXFNIKOEOLHGJV-KRWDZBQOSA-N 391.424 0.817 0 40 GCAB CNC(=O)NC(=O)CN1CCN([C@H](C)c2nc(Cc3ccccc3)no2)CC1 26628432 DGOQAANRHJDOKW-CQSZACIVSA-N 386.456 0.795 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1nnc(C2CC2)s1 36353669 JBXRHXWUYCWGKO-UHFFFAOYSA-N 384.421 0.880 0 40 GCAB C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nncn1C 95942007 NLIBFRKVJQRRFL-LLVKDONJSA-N 377.426 0.482 0 40 GCAB CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cscn3)CC2)O1 96263151 YPMIYENRTIQLOA-CYBMUJFWSA-N 375.454 0.958 0 40 GCAB C[C@H]1O[C@@H](c2ccc(F)cc2)C[C@@](O)(CNS(=O)(=O)c2cn(C)cn2)[C@@H]1O 1848357013 HODUGPISGQPEGU-MDNXKNQGSA-N 399.444 0.480 0 40 GCAB CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 828776 ITUNHDZOLRREKF-JTQLQIEISA-N 379.804 0.558 0 40 GCAB biogenic Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2c[nH]c3ccccc23)n(C)c1=O 2656857 UREPMFBOPGQXCI-UHFFFAOYSA-N 395.375 0.341 0 40 GCAB O=C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 3454783 HBKUEFVPGSHCCO-UHFFFAOYSA-N 380.466 0.832 0 40 GCAB Cc1ccc(S(=O)(=O)NC(=O)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 3642108 JPHZAJCTSCIDPT-UHFFFAOYSA-N 396.446 0.613 0 40 GCAB COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219653 UKRZYOVLYMPVKD-UHFFFAOYSA-N 392.437 0.392 0 40 GCAB CCOc1ccc(-c2nnc3n(CCOC)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970043 NJAZDQDHGZFOLX-UHFFFAOYSA-N 384.396 0.783 0 40 GCAB COc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(OC)n1 11765871 QAPSVAZEIDBACU-UHFFFAOYSA-N 383.430 0.610 0 40 GCAB O=C(CCc1n[nH]c(=O)[nH]c1=O)N1Cc2ccccc2OC2(CCOCC2)C1 12337506 PDNYQQOFPZRJTA-UHFFFAOYSA-N 386.408 0.361 0 40 GCAB COc1ccc(C)cc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20568025 LBNUNOUUYXAGSN-UHFFFAOYSA-N 385.486 0.218 0 40 GCAB O=C(N/C(=C/c1cccnc1)C(=O)N1CCN(CCO)CC1)c1ccccc1 22079060 JECGMAFZILSICY-XDJHFCHBSA-N 380.448 0.989 0 40 GCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1=O 22900642 SOODGJWBNCBNNH-LJQANCHMSA-N 388.424 0.721 0 40 GCAB COC(=O)/C=C/c1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 29299632 VOUVERBBJYJSPL-BPJJOFIESA-N 383.422 0.564 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 36709174 LOUKSSJBFFXFTD-UHFFFAOYSA-N 398.466 0.635 0 40 GCAB CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 41319149 FLJPXYZZBOYGGK-UHFFFAOYSA-N 380.514 0.400 0 40 GCAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCCCN1CCN(C)CC1 49546982 YEPOBHBOSIJBHP-UHFFFAOYSA-N 378.521 0.848 0 40 GCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 55248775 RZQCJZWVRRVYLB-ZFWWWQNUSA-N 399.538 0.822 0 40 GCAB C[C@H]1CN(c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)C[C@H](C)O1 58214729 OQNOEACWUNRKGU-IRXDYDNUSA-N 376.501 0.849 0 40 GCAB C[C@H](NC(=O)NCCc1nccn1C)c1ccc(-n2cc(C(N)=O)nn2)cc1 58244568 ZZACXKKYFNUAHQ-LBPRGKRZSA-N 382.428 0.703 0 40 GCAB CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@]12COc1ccccc1C(=O)N2 72334301 FYMZLZQZNDSVDJ-MDOVXXIYSA-N 387.436 0.321 0 40 GCAB Cn1cccc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)c1=O 77196506 PPGHELIWPZYIBP-UHFFFAOYSA-N 394.478 0.944 0 40 GCAB COC(=O)CCNC(=O)CCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 89643373 LVAZESGMONNDSY-UHFFFAOYSA-N 379.432 0.961 0 40 GCAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CC(S(=O)(=O)N2CCOCC2)C1 95999278 MHWNTDZYBKVHAG-HNNXBMFYSA-N 394.497 0.171 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(CCc3ccccc3)C[C@@H]21)N1CCOCC1 96251031 GLLVRMDGKMDHQL-GUDVDZBRSA-N 392.521 0.823 0 40 GCAB C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@@H](C)O1 306123672 ATMTXXKINRXRRW-VPZZIHKRSA-N 399.455 0.522 0 40 GCAB CCC(CC)(NC(=O)C1CN(C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1)C(N)=O 553332853 UBVYAUWNDQDMHY-OAHLLOKOSA-N 394.516 0.642 0 40 GCAB Cc1csc2nc(CN3CCS(=O)(=O)C[C@H]3c3cnn(C)c3)cc(=O)n12 566655622 YGNREWMCGCXDMI-AWEZNQCLSA-N 393.494 0.770 0 40 GCAB COc1ccccc1S(=O)(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 575609684 ZYBRQNJNINTAGN-AWEZNQCLSA-N 388.511 0.625 0 40 GCAB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 592187562 COLKJFMBDYSCRG-INIZCTEOSA-N 390.532 0.523 0 40 GCAB Cc1cc(C(=O)NC2CCN(C(=O)C(=O)NC[C@H](C)C(=O)O)CC2)c(C)o1 656008320 SFEKKEKJMLXJPA-JTQLQIEISA-N 379.413 0.454 0 40 GCAB Cc1nc(CCNC(=O)[C@H]2CN(Cc3cncn3C)CC23CCOCC3)no1 1565543540 VUCIOUORYNZAPZ-MRXNPFEDSA-N 388.472 0.699 0 40 GCAB CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)CC1 2037916449 UAWUOVMMCWFTIG-NRFANRHFSA-N 391.512 0.549 0 40 GCAB O=C(Nc1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243125 KUBDZZVNKBVKKH-AWEZNQCLSA-N 395.416 0.517 0 40 GCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)O 6425189 UAQKYYIRNSULAW-CYBMUJFWSA-N 397.453 0.352 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccccc1 6540243 XESIRWWQFLXUOI-UHFFFAOYSA-N 375.450 0.949 0 40 GCAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 9833418 BVJKHSGSGJTXDO-SNVBAGLBSA-N 375.414 0.753 0 40 GCAB C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)N1CC(=O)Nc2ccccc21 12818831 VPNGRVDDDBZZQV-SMDDNHRTSA-N 395.437 0.327 0 40 GCAB Cc1cc2nc([C@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc(O)n2n1 19129690 UTPPNKJIPWSDOO-NSHDSACASA-N 381.458 0.592 0 40 GCAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccc(O)cc3)cc21 40267265 QCUITECLQWZLPB-OAHLLOKOSA-N 385.376 0.536 0 40 GCAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)C2CC2)CC1 42384452 OADUIUKJCPYFGI-UHFFFAOYSA-N 388.467 0.256 0 40 GCAB CCOC(CNC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2OC)C1)OCC 49030551 SJSWEUZTQWSHKH-ZDUSSCGKSA-N 382.461 0.796 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)cc1 52410672 XCLTYAXELAKDOB-QGZVFWFLSA-N 395.525 0.844 0 40 GCAB CCN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 57438937 OJYRBFYEHGZYCK-KRWDZBQOSA-N 383.489 0.983 0 40 GCAB C[C@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)Nc1ccc(C(N)=O)cc1 69741294 OFJCIKHHDIYRRI-NSHDSACASA-N 380.364 0.945 0 40 GCAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC(N(C)C)C2)cc1 95462094 RLBCYEUMGWOMSU-UHFFFAOYSA-N 376.500 0.435 0 40 GCAB O=C(CN1CSCC1=O)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257344977 ZZKZXDNFYPYCCC-QGHHPUGFSA-N 394.453 0.716 0 40 GCAB O=C(O)[C@H]1O[C@@H](Oc2c(Cl)cc(Cl)c3cccnc23)[C@H](O)[C@@H](O)[C@@H]1O 514253342 ZVVOIJDMHFKDIM-BPJKLTAVSA-N 390.175 0.813 0 40 GCAB in-vitro CN1CCO[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@H]21 568671223 ZNTZDXWOBQSDLZ-CVEARBPZSA-N 382.486 0.079 0 40 GCAB Cc1noc([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 578243939 XPGLOZAXXZMWSM-ZWNOBZJWSA-N 396.473 0.759 0 40 GCAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)Cc1ccc(F)cc1 952987307 WBJVHAXKWDEQKL-UHFFFAOYSA-N 376.417 0.914 0 40 GCAB CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)CCc2cncnc2)O1 1565545182 BGCZZHQVESVETP-GVDBMIGSSA-N 376.457 0.663 0 40 GCAB CN1C[C@H]2CN(C(=O)[C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4F)C3)C[C@H]2C1 1604870777 HWCUOXREYWADIH-SOUVJXGZSA-N 385.447 0.852 0 40 GCAB Cn1cnc(S(=O)(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)c1 2055754818 ZDVQHJPOZXDSKB-VYDXJSESSA-N 378.454 0.952 0 40 GCAB Cn1c(=O)c2c(nc(SCC(N)=O)n2Cc2ccc(Cl)cc2)n(C)c1=O 827969 IIMARFVEYFUWLT-UHFFFAOYSA-N 393.856 0.713 0 40 GCAB CCOC(=O)c1nnn(CC(=O)Nc2ccccc2C(N)=O)c1C(=O)OCC 4176338 QUIRWWUXSGTRHL-UHFFFAOYSA-N 389.368 0.369 0 40 GCAB CC(C)C(=O)OCCSc1nc(N2CCOCC2)nc(N2CCOCC2)n1 4743519 TZNBFMHXJYFHTM-UHFFFAOYSA-N 397.501 0.836 0 40 GCAB COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219660 YTLZVURUZKZFDI-NSHDSACASA-N 392.437 0.390 0 40 GCAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1nnnn1Cc1ccccc1)CC2 12113744 RCDMTSUESWIAOM-UHFFFAOYSA-N 392.467 0.963 0 40 GCAB Cc1cn(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1 19238752 MLDWCZLFCCESPX-ZDUSSCGKSA-N 388.453 0.847 0 40 GCAB CON(C)C(=O)CN1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 19578686 YRVJEQXWPRWNLI-INIZCTEOSA-N 382.442 0.119 0 40 GCAB COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCN(C)C)[C@H]2O)c1 20463978 AWCVAQLSOLRVQX-HSFUPAIVSA-N 394.472 0.163 0 40 GCAB biogenic,in-vitro COC[C@H](C)NC(=O)C1=CC(c2cc(OC)ccc2OC)=NS(=O)(=O)N1C 20550785 VEOGKCCKCABWBQ-NSHDSACASA-N 397.453 0.718 0 40 GCAB O=C(NC1=NCCS1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 23028111 VOWKXUJAPYCGFA-LBPRGKRZSA-N 397.478 0.830 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)C[C@H](C)O1 26776650 MDURUIQUSNIBPS-QWRGUYRKSA-N 390.897 0.188 0 40 GCAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(S(=O)(=O)N2CCCC2)CC1 31390026 HUPZNUUJJCEWTC-UHFFFAOYSA-N 379.442 0.768 0 40 GCAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCC(NC(N)=O)CC1 72313110 LHBJPZWECDDTRF-UHFFFAOYSA-N 380.470 0.943 0 40 GCAB COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)s1 72403223 UVIUOMNAFKFLMV-UHFFFAOYSA-N 382.423 0.858 0 40 GCAB Cc1nc(OCC(=O)Nc2cnc(-n3cccn3)nc2)cc(-n2cccn2)n1 90607696 KBGGYMJMFKTQML-UHFFFAOYSA-N 377.368 0.964 0 40 GCAB CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)CC1 96113400 HEBCQJIUHNXGRX-IAGOWNOFSA-N 390.532 0.301 0 40 GCAB biogenic,in-vitro Cc1ccc(C)n1-n1c(CN2CCN(C)CC2)nnc1CN1CCN(C)CC1 225151857 LCTMYIIYKIFCPV-UHFFFAOYSA-N 386.548 0.503 0 40 GCAB CNCCOc1cccc(C(=O)N2C[C@H](O)[C@@H](n3cnc4c(N)ncnc43)C2)c1 257209096 BOYLZLLVRYNZAD-GJZGRUSLSA-N 397.439 0.065 0 40 GCAB COc1cc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1OCCN(C)C 585271702 GQYSVWDABHLVMH-OALUTQOASA-N 392.544 0.428 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nccn2)cc1 675008052 SDDWRZDFRMQCMO-AWEZNQCLSA-N 389.437 0.785 0 40 GCAB O=C(NCC1(O)CSCCSC1)C(=O)Nc1ccc2c(c1)OCCO2 1889029427 OVJZHKIXZRUBJT-UHFFFAOYSA-N 384.479 0.724 0 40 GCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2ccn(C)n2)CC1 2055738692 KMKWPQPAQQOHMV-UHFFFAOYSA-N 392.485 0.726 0 40 GCAB Cc1nccn1-c1ccc(N2CCN(c3ncnc4ncn(C)c34)CC2)nn1 2086867528 WUXDIZIFFNNVJU-UHFFFAOYSA-N 376.428 0.974 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@H]1CCS(=O)(=O)C1 3531217 KYPYLNLZTJEHQS-UGSOOPFHSA-N 391.449 0.073 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 4386351 ZMFZWVNDFOKNAF-UHFFFAOYSA-N 387.371 0.751 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCCCC2)CCN1S(=O)(=O)N1CCCCC1 4666995 XCUQZIPKRKCLEC-OAHLLOKOSA-N 394.563 0.454 0 40 GCAB Cn1c(Br)nc2c1c(=O)n(C[C@@H](O)c1ccccc1)c(=O)n2C 4945666 CCSABJWKUBKTGH-SNVBAGLBSA-N 379.214 0.930 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NCc1ccco1 5039139 CANXWHQPXWTLEG-SNVBAGLBSA-N 382.394 0.797 0 40 GCAB CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2c1O 5085268 FZUPKYUANHOYBD-FMAJMWNWSA-N 378.377 0.235 0 40 GCAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)C3CC3)CC2)C1=O 14093202 WDDGJNQYBCDWBT-HXUWFJFHSA-N 399.451 0.039 0 40 GCAB CN(C)C(=O)[C@@H]1CN(C(=O)c2cccnc2)C[C@]12Cc1ccccc1C(=O)N2 19581153 QMAYNEPWQNDDIY-LAUBAEHRSA-N 378.432 0.967 0 40 GCAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)CC2)N1 21473322 DZCCTZNTXIPPMB-OAHLLOKOSA-N 384.436 0.278 0 40 GCAB Cc1cccc(NC(=O)CN2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)c1C 22834939 ACXBUKWWWHSYOU-UHFFFAOYSA-N 399.495 0.457 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1 32879572 XTGXWYIFSWQDBC-UHFFFAOYSA-N 394.428 0.589 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 58357149 YQYCKOSSJLMMKI-OAHLLOKOSA-N 396.513 0.254 0 40 GCAB NC(=O)[C@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 84341413 FTSGGRKWNOFKOT-LDYMZIIASA-N 390.753 0.755 0 40 GCAB CN(C(=O)CN1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CCCc2ccccc21 95948729 CVNQUTFPVKCJCW-GOSISDBHSA-N 394.541 0.946 0 40 GCAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2cccc3nsnc23)CC1 97527149 IKUZRFRNMXXAPD-LBPRGKRZSA-N 388.497 0.915 0 40 GCAB COc1ccccc1N(CCCC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 224762677 NZCIETXXCNYOQO-UHFFFAOYSA-N 397.497 0.965 0 40 GCAB CC(=O)[C@H](C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1 263583677 STLFWKVWMFPGFQ-QCQGSNGOSA-N 376.434 0.991 0 40 GCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccs3)[C@H]2O)CC1 514288540 HUXZKCGQEYERKO-OFQRWUPVSA-N 382.486 0.552 0 40 GCAB biogenic,in-vitro Cc1c(C)[n+]([O-])c([C@@H](C2C(=O)NC(=O)NC2=O)[C@H]2CC=CCC2)n1CCO 524734546 PTQODJUXHYLWLY-QWHCGFSZSA-N 376.413 0.153 0 40 GCAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 575414444 HHVHSKBBJJOWMG-HUUCEWRRSA-N 391.435 0.872 0 40 GCAB Cn1nccc1-c1ccc(CNC(=O)N2CCN(S(C)(=O)=O)C2=O)cn1 575619805 NHNYJNSOQOKKAX-UHFFFAOYSA-N 378.414 0.389 0 40 GCAB CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(C)(C)C)CC3)C1=O 1142774813 ZZXHNNLJZYIIMD-GOSISDBHSA-N 385.530 0.765 0 40 GCAB Cc1nc(C(=O)N2CCO[C@@]3(COCCN(CC(=O)N(C)C)C3)C2)cs1 1565547636 QVUZIAAMFODRJF-QGZVFWFLSA-N 382.486 0.083 0 40 GCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5cn(C)cn5)C[C@@H]4C3)n1)CCC2 1888890089 OSCPRLOWHQVXCI-KBPBESRZSA-N 388.497 0.764 0 40 GCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1889175217 GMYXOPBOQHYPMI-UHFFFAOYSA-N 395.471 0.625 0 40 GCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1889175242 OPWPYXVZXQFPFT-UHFFFAOYSA-N 395.471 0.625 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CC2)cc1 3016079 GEURYYBMECWFDS-HNNXBMFYSA-N 381.454 0.127 0 40 GCAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CC2)C1=O 9712034 UULWYHKCJOFONT-INIZCTEOSA-N 387.425 0.599 0 40 GCAB CCn1c(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc21 10652093 WEYUXMVJFFZAKI-UHFFFAOYSA-N 395.423 0.832 0 40 GCAB O=C(Nc1c[nH]c(=O)[nH]c1=O)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 12408603 UVEWRICXZIGHPN-UHFFFAOYSA-N 392.799 0.165 0 40 GCAB CCn1nnc2c(N3CCN(S(=O)(=O)c4cccs4)CC3)ncnc21 13534554 XMKLHGQASUYWHG-UHFFFAOYSA-N 379.471 0.814 0 40 GCAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2cnccn2)C1 19584000 ROCOEZFVGCKOSO-AWEZNQCLSA-N 392.485 0.278 0 40 GCAB Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c(C)c1 22829556 BZYRARLBHUWDHS-UHFFFAOYSA-N 396.557 0.823 0 40 GCAB CC[C@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 22933629 DANYWYYJCIRAPX-AWEZNQCLSA-N 376.457 0.886 0 40 GCAB O=C(NCC(=O)N1CCN(CCN2CCCC2)CC1)c1ccc2c(c1)OCO2 23257238 VEUFFYZHZPXDIQ-UHFFFAOYSA-N 388.468 0.385 0 40 GCAB COc1ccccc1CCNC(=O)CSCc1cc(=O)n(C)c(=O)n1C 32825950 NJFHTXMDQHYRMQ-UHFFFAOYSA-N 377.466 0.685 0 40 GCAB CCN(CC)C(=O)CN1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 40120311 KJXFELGLLVYGBP-UHFFFAOYSA-N 387.488 0.757 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 40154430 RBSIWFIDRPGNCC-ZDUSSCGKSA-N 382.486 0.652 0 40 GCAB CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 71756605 OHKOGUYZJXTSFX-JDVQERKKSA-N 384.435 0.548 0 40 GCAB CN(C)c1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N(C)C)n1 575607934 QYTVIAMMXGBXSW-UHFFFAOYSA-N 382.428 0.030 0 40 GCAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)CN3CCCCCC3=O)ccc21 585271737 JOBHBHWRYNYHAQ-UHFFFAOYSA-N 397.478 0.808 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2ccncc2)CCO3)C1 2056226733 YRKAOAGIVAFOJG-UWVAXJGDSA-N 388.468 0.165 0 40 GCAB CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 3017362 URYGXCIKHQHZDB-OAHLLOKOSA-N 397.497 0.601 0 40 GCAB CC(C)c1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4266114 OKBFGUQGTQIPST-UHFFFAOYSA-N 377.470 0.865 0 40 GCAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6673296 UTWIDOASKWNBAG-NWDGAFQWSA-N 397.478 0.578 0 40 GCAB NC(=O)c1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc(C(N)=O)c1 6934546 RDWWDPOBBXGZKB-UHFFFAOYSA-N 380.360 0.509 0 40 GCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 8844912 DXAPTFJIJXGBGS-FZKQIMNGSA-N 380.445 0.788 0 40 GCAB CCCCn1c(N)c(N(C)C(=O)c2cccc(-n3cnnn3)c2)c(=O)[nH]c1=O 9467216 CDQMXXONHXJDJS-UHFFFAOYSA-N 384.400 0.171 0 40 GCAB O=S1(=O)C[C@H](NC[C@@H]2CCCO2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371442 IBEWCGKIZFNFMS-QEJZJMRPSA-N 377.459 0.534 0 40 GCAB CCCNS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC 14291956 OCHJDMVXMXNQGA-UHFFFAOYSA-N 383.470 0.721 0 40 GCAB CC1(C)O[C@H]2[C@@H](CO)O[C@@H](n3c(Br)nc4c(N)ncnc43)[C@@H]2O1 17381098 GDKUQUVKGLVGBN-GZCUOZMLSA-N 386.206 0.581 0 40 GCAB CCN1C[C@@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O 19526921 LCMRPHCCNOZERN-YOEHRIQHSA-N 385.468 0.913 0 40 GCAB CN(C)c1ncc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cn1 19585445 ZXPRXFRAUXVZOW-HNNXBMFYSA-N 383.456 0.804 0 40 GCAB CC(C)Cn1c(N)c(C(=O)CNc2ccc(-n3cnnn3)cc2)c(=O)n(C)c1=O 23057921 SJOJUJXEIITGFI-UHFFFAOYSA-N 398.427 0.056 0 40 GCAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826635 KJZRAFCQIMCHEH-UONOGXRCSA-N 394.449 0.110 0 40 GCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1 36360334 SMLJZSZQVXZZQQ-INIZCTEOSA-N 388.449 0.277 0 40 GCAB O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1nc(C2CC2)no1 78970979 AZHHDZWWHARRGU-UHFFFAOYSA-N 392.441 0.287 0 40 GCAB COCCn1cc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 79464372 ZZPVBZWQTDSTKN-UHFFFAOYSA-N 379.482 0.934 0 40 GCAB COc1ccc(OC[C@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 97455813 VLEGRVOUPLXDMN-HZPDHXFCSA-N 384.498 0.240 0 40 GCAB Cc1cc(C(=O)N[C@@H]2C[C@H](Cn3cc(CN(C)C)nn3)[C@@H](O)[C@H]2O)c(C)o1 225509694 HAAWMZDWBRLVCL-YYQUZTFQSA-N 377.445 0.090 0 40 GCAB biogenic,in-vitro O=C(c1ccccc1S(=O)(=O)N1CCOCC(F)(F)C1)N1CCOCC1 585083796 PLZJNJZLWVPHIW-UHFFFAOYSA-N 390.408 0.815 0 40 GCAB Cn1ccc(=NC(=O)C2(Nc3ccccc3)CCN(S(C)(=O)=O)CC2)[nH]1 2055754779 RYBGERPNPUVSOA-UHFFFAOYSA-N 377.470 0.687 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)CCNC(=O)c2cccc(OC)c2)CC1 5272969 RPZAGFAVLVQXQI-UHFFFAOYSA-N 399.469 0.529 0 40 GCAB CC(C)N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O 6879083 DCCVKZALIQDXOK-UHFFFAOYSA-N 393.421 0.391 0 40 GCAB CN1C(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C(=O)C12CCCCC2 7401145 IYVABCNGSGFILQ-UHFFFAOYSA-N 386.456 0.722 0 40 GCAB O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1ccc2c(c1)OCO2 9155607 WOBXORIBUGKLJK-HNNXBMFYSA-N 377.328 0.826 0 40 GCAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O 10105102 AHTGTZKTJRHNNF-UHFFFAOYSA-N 381.436 0.939 0 40 GCAB COCC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCCn3ccc(C)n3)cc2C1 19749634 IGNQOTJIVTYROV-MRXNPFEDSA-N 392.481 0.400 0 40 GCAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCNC1=O 32776231 SPCJWQOPMHYZAH-SNVBAGLBSA-N 381.410 0.224 0 40 GCAB Cc1nnc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)o1 38263109 OOTFCFUQUFKDJX-UHFFFAOYSA-N 380.426 0.656 0 40 GCAB O=C(CCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC1 40086210 YRTWXGVQHUBKPM-UHFFFAOYSA-N 396.437 0.974 0 40 GCAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1C 58326069 MRELFKIUSYGTLP-QGZVFWFLSA-N 375.469 0.801 0 40 GCAB COC(=O)c1ccccc1NC(=O)C[C@H](CN1CCN(C(C)=O)CC1)C(=O)O 61721583 XZUNYZQDDMEEBA-CQSZACIVSA-N 391.424 0.667 0 40 GCAB CCCNC(=O)c1nsc(C(=O)N2CCN(c3ncccn3)CC2)c1N 67334894 WORJSTGMMXTDNV-UHFFFAOYSA-N 375.458 0.618 0 40 GCAB COCCN1C[C@H](C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CC1=O 67851760 OOIQXLHWPGHPLZ-CYBMUJFWSA-N 395.406 0.744 0 40 GCAB COCc1cc(=O)n(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cn1 83914609 RTULNFABKNMGRH-UHFFFAOYSA-N 389.364 0.602 0 40 GCAB CC(C)Cn1nc(CC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 95473083 QLGHJQPMRPNFRC-ZDUSSCGKSA-N 377.466 0.898 0 40 GCAB CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 100763645 MXPKDWCRJAGSTO-BYHFLKJQSA-N 393.524 0.630 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1 105040397 AUMWSFVHQWXXIP-GOSISDBHSA-N 379.482 0.529 0 40 GCAB COCC(=O)N[C@@H]1CN(Cc2ccc(OCCCN(C)C)c(OC)c2)C[C@H]1O 257203721 ARIZVPHGQGULKP-IAGOWNOFSA-N 395.500 0.333 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCN1CCc1ccccc1 257325452 WSZFIQHVYPRTAI-SFHVURJKSA-N 396.495 0.658 0 40 GCAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)cc1 306125740 DAGGDVBCYBGGHU-OAQYLSRUSA-N 398.463 0.999 0 40 GCAB CCc1c(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)[nH]c(C)c1C(N)=O 529751304 JDZWFNFXXWHAAV-LJQANCHMSA-N 378.473 0.330 0 40 GCAB CC(=O)N1CCCN(C)CCN(C(=O)Cn2cccnc2=O)Cc2ccccc21 643554172 MKUZDVAKVLZXIA-UHFFFAOYSA-N 397.479 0.961 0 40 GCAB NC(=O)COc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1 1565522762 OWIFNQKKHCXMHX-CQSZACIVSA-N 399.538 0.753 0 40 GCAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 828774 CCDLKASKJVKJNQ-LLVKDONJSA-N 376.438 0.975 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCCOc1ccccc1 4317947 WVROYBHGLGVXAC-UHFFFAOYSA-N 385.424 0.729 0 40 GCAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c(C)c1 4370508 DCDLJJJKLZLUPO-UHFFFAOYSA-N 394.435 0.858 0 40 GCAB CC(=O)N[C@@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@@H]1O 4906373 CIHDSPCYFDFWRF-AHDPXTMNSA-N 380.224 0.454 0 40 GCAB CNC(=O)CSc1nc(O)cc(CC(=O)NCc2cccc(OC)c2)n1 22629638 VAJNGUUDIYSITP-UHFFFAOYSA-N 376.438 0.888 0 40 GCAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(CC(=O)NC2CC2)CC1 23248694 GCKRRSSEOLJDLA-HNNXBMFYSA-N 399.495 0.647 0 40 GCAB CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 33028570 LPHHPYCZFJCDPV-MRXNPFEDSA-N 381.498 0.922 0 40 GCAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCCn3ncccc3=O)cn2)cc1 35595059 IVHVWQNAAYLNJG-UHFFFAOYSA-N 395.419 0.682 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 39998335 FZSJOQWOQMIMQP-RYUDHWBXSA-N 380.422 0.114 0 40 GCAB O=C(NCc1cccnc1-n1cncn1)[C@H]1CC(=O)N(Cc2ccccn2)C1 47122396 LQYLYBSVGWFKNX-HNNXBMFYSA-N 377.408 0.722 0 40 GCAB CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]1CN(Cc2ccccc2)CCO1 79108640 ANMLMFXWEZAIHA-DLBZAZTESA-N 383.514 0.674 0 40 GCAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)C2 89702176 POMFSXWIDFPDEB-JTQLQIEISA-N 375.410 0.015 0 40 GCAB COc1ccnc(N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)n1 96002397 HJCUPHHYKNKRTI-HNNXBMFYSA-N 385.472 0.845 0 40 GCAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 97012943 AOEAYYNOQGXIKN-LBPRGKRZSA-N 376.442 0.590 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1[C@@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@H]14)O3)C2 100164458 PLXGPRDBKYTBFE-ZKNHNOBHSA-N 384.436 0.153 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N[C@H](Cn2nccn2)c2ccccc2)CC1 253408496 YABXQIVPGSTLLI-MRXNPFEDSA-N 377.470 0.807 0 40 GCAB Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@@H]1O 257296397 RCPULPCYHRYNSB-RRCSTGOVSA-N 398.423 0.760 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N(C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1C 575420992 GBZOHQMHDVLKEH-GJZGRUSLSA-N 391.511 0.143 0 40 GCAB O=c1cc2c(nn1CC1CN(S(=O)(=O)c3ccc4c(c3)CCO4)C1)CCC2 585604086 XWPKUEPVAUEERO-UHFFFAOYSA-N 387.461 0.988 0 40 GCAB O=C(Cn1cc(Cl)cn1)N1CCn2c(nc(CN3CCCC3)cc2=O)C1 1565554436 ZTBRWVKFISSJFE-UHFFFAOYSA-N 376.848 0.731 0 40 GCAB O=C(O)c1ccc(C(=O)O)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc12 2048532795 QLWFPXSURFRHGM-UHFFFAOYSA-N 376.320 0.730 0 40 GCAB OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O 1081241 NLRXQZJJCPRATR-QXKUPLGCSA-N 385.210 0.781 0 40 GCAB in-vitro Cn1cnnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 3344378 PPBCGOXMKDAVMI-UHFFFAOYSA-N 386.437 0.281 0 40 GCAB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 3378385 FJPRUOLRIYRCKJ-GBXSZLQWSA-N 381.406 0.333 0 40 GCAB O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 4098879 HHSKNLJWHGXWPK-BFMVXSJESA-N 390.388 0.222 0 40 GCAB biogenic,in-vitro Cn1c(N)c(S(=O)(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O 4270189 BRUABWMQUJOSJJ-UHFFFAOYSA-N 389.231 0.230 0 40 GCAB CCCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n[nH]c1=O 9503726 GCLZOBQQJDROEC-UHFFFAOYSA-N 396.473 0.605 0 40 GCAB CCOC(=O)C(NC(=O)Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC 9725729 CTFFBYDLSIVACF-UHFFFAOYSA-N 383.397 0.866 0 40 GCAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@H]3C=CS(=O)(=O)C3)cc2O1 13689092 BEGBIUVCFJLZFR-JTQLQIEISA-N 381.406 0.942 0 40 GCAB O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(CN2CCCCC2=O)c1 50473839 WEIDEMPRUFGYJC-UHFFFAOYSA-N 379.482 0.868 0 40 GCAB CCn1c(N)c(C(=O)CN2CCO[C@H](c3cccc(F)c3)C2)c(=O)[nH]c1=O 66848799 YFJBCRUJOLPRCX-AWEZNQCLSA-N 376.388 0.534 0 40 GCAB CCN1CCN(c2nc3ncn(CC(=O)NC(C)(C)C)c(=O)c3s2)CC1 67225961 RLKQFFBMBKPMAE-UHFFFAOYSA-N 378.502 0.910 0 40 GCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c1 69298876 BRPPZXLTNJYGSO-CYBMUJFWSA-N 376.456 0.250 0 40 GCAB COCc1nc2nnc3c(CC(=O)OC)nn(-c4nc(C)cc(C)n4)c3n2n1 72461555 ZLFATQVDMLETGQ-UHFFFAOYSA-N 383.372 0.127 0 40 GCAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 95965035 HMPYTRCSFCSPLD-HNNXBMFYSA-N 395.460 0.940 0 40 GCAB CN1C[C@@]2(CO)C(O)[C@](CO)(C1)[C@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 104271347 QTBLVKOQTUDXKG-CADMSHOASA-N 384.480 0.468 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C(N)=O 257200570 ADVRZMKZEPDEFR-KRWDZBQOSA-N 384.484 0.647 0 40 GCAB C[C@H]1CN(C[C@]2(O)[C@@H](O)C[C@H](N(C)C(=O)OC(C)(C)C)C[C@H]2O)C[C@@H](C)O1 257222564 DTTLDNMPVQVYOH-AOLPCXKKSA-N 388.505 0.578 0 40 GCAB CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2O)CC1 514288881 LAEPCODZOVVVTJ-HRCADAONSA-N 387.402 0.811 0 40 GCAB biogenic,in-vitro O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)[C@H]1CC(=O)N(c2ccccc2)C1 575414445 HHVHSKBBJJOWMG-LSDHHAIUSA-N 391.435 0.872 0 40 GCAB O=S1(=O)CC[C@@H](N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2)C1 575420334 AWFXEFMKLMOGLW-CHWSQXEVSA-N 393.508 0.052 0 40 GCAB Cc1cccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)c1 575608968 ZKDSDDJUISVMEZ-UHFFFAOYSA-N 392.485 0.561 0 40 GCAB Cn1nccc1-c1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 575621714 RQGFUCLCHTWFGE-UHFFFAOYSA-N 377.470 0.770 0 40 GCAB CN(C)C(=O)CN1[C@@H]2CN(C3CCC(F)(F)CC3)C[C@@H]2OCCS1(=O)=O 1534645852 LNSXLJUCVRFPBE-KGLIPLIRSA-N 395.472 0.367 0 40 GCAB COc1ccc2c(C)c(CC(=O)N(CC(=O)O)CC(=O)O)c(=O)oc2c1C 2098866 SRJGBCFAUYXUDU-UHFFFAOYSA-N 377.349 0.959 0 40 GCAB biogenic Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CC2)ccc1F 3027847 QKNAUOTXFVUENK-HNNXBMFYSA-N 399.444 0.266 0 40 GCAB CC(C)OC[C@@H](O)Cn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4317898 QNZJQNVQWINAQR-AWEZNQCLSA-N 393.488 0.600 0 40 GCAB NC1=NN=C(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n2ncnc2C1 6058531 COGIZPYAVUEAKW-CQSZACIVSA-N 396.308 0.811 0 40 GCAB COC(=O)CSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1 8625077 HSKWKLMICDTWKS-UHFFFAOYSA-N 394.409 0.887 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10044381 IXJLTOWKIWMRJI-UHFFFAOYSA-N 375.472 0.347 0 40 GCAB CNS(=O)(=O)Cc1ccccc1CNC1=NS(=O)(=O)c2ccccc21 10257788 KDBLDRPCPNQKEB-UHFFFAOYSA-N 379.463 0.975 0 40 GCAB NC(=O)Cc1csc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1 11000708 JPFKBENCGVJHOR-UHFFFAOYSA-N 380.451 0.963 0 40 GCAB CN(C)C(=O)[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 12865625 ARJJBBWVBNWLMB-MRXNPFEDSA-N 389.433 0.857 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1OC 16849928 YETHAMAEZSYUFR-UHFFFAOYSA-N 397.453 0.751 0 40 GCAB CCc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)on1 19522792 NAMADSLYDQXLMI-ZDUSSCGKSA-N 395.485 0.996 0 40 GCAB CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc2c1CCC2 20573475 FBSYTXZDHKDJHY-UHFFFAOYSA-N 395.481 0.800 0 40 GCAB CCCNC(=O)CN1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 22824156 XAQNSVRQHWVUSC-UHFFFAOYSA-N 389.500 0.546 0 40 GCAB Cc1cc(=O)n2nc(CN3CCN(CC(=O)N4CCCC4)CC3)sc2n1 22930549 NXQMPBFFLXRBHT-UHFFFAOYSA-N 376.486 0.199 0 40 GCAB NC(=O)CCS(=O)(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 25702104 CGVYFZZKEQOURB-UHFFFAOYSA-N 379.935 0.809 0 40 GCAB Cc1noc(C)c1CN1CCN(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)CC1 71280570 NYYYOLGDVPYDMT-AWEZNQCLSA-N 379.461 0.100 0 40 GCAB C[C@@]1(CO)O[C@@H](N2CCN(Cc3ccccc3)CC2)[C@](C)(O)[C@@](C)(O)[C@]1(C)O 78547112 XOSLXWLHQVUTQP-XDWAVFMPSA-N 394.512 0.165 0 40 GCAB COC(=O)C12C[C@@H]3C[C@H](CC(NC(=O)CCn4ccc(=O)[nH]c4=O)(C3)C1)C2 101415473 OQMCQWDDWRAVQX-IJKBLAIYSA-N 375.425 0.555 0 40 GCAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1 108642431 VGZZOARNYCYMPZ-SFHVURJKSA-N 395.525 0.807 0 40 GCAB CN(CC(N)=O)C(=O)c1cccc(NC(=O)NCc2ncc3c(n2)CCOC3)c1 650188142 JFZMIGLNDGHNGL-UHFFFAOYSA-N 398.423 0.428 0 40 GCAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(C(=O)CC4(O)CCC4)C3)C2)cn1 1565553595 FPPSRTFHKWVQBG-DNVCBOLYSA-N 376.457 0.605 0 40 GCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)c2ccccc2)CC1 2055745932 RDIWJXFCNFTRHA-UHFFFAOYSA-N 377.470 0.223 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224041 BETQRFGEQCMKJW-IBGZPJMESA-N 399.557 0.748 0 40 GCAB CC1(C)[C@@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2[S@@]1=O 5625293 AYTKEKBIWRHMGU-MEKCUZEDSA-N 375.038 0.635 0 40 GCAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 5763570 IJKPKZGMVXHRDM-AWEZNQCLSA-N 385.511 0.596 0 40 GCAB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)N1CCCC1 10038277 HTIDNEBZNGGIJO-UHFFFAOYSA-N 387.392 0.836 0 40 GCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3conc3C)C2)nn1 12184858 ASGIXKFWHGLWPN-ZDUSSCGKSA-N 376.417 0.503 0 40 GCAB O=S1(=O)CC[C@H](N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 12972944 IEEVLLCDHQYPSD-JTQLQIEISA-N 390.391 0.452 0 40 GCAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 29883612 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CCOC(=O)[C@]12CCCN(S(=O)(=O)C3CC3)C[C@H]1CN(CCN(C)C)C2 96055952 WLFWVBCIHGLHIF-QAPCUYQASA-N 387.546 0.617 0 40 GCAB CCc1ccc(OC[C@H](O)Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)cc1 100687607 HRRZHOLKBWFIBF-LLVKDONJSA-N 376.438 0.714 0 40 GCAB O=C(Cn1c(=O)oc2ccccc21)NCc1nnc2ccc(N3CCCC3)nn12 252480118 BWBKPEGYSXPORX-UHFFFAOYSA-N 393.407 0.949 0 40 GCAB N[C@@H](CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)O 257262238 LKRNWACIGPTMEY-AWEZNQCLSA-N 387.440 0.269 0 40 GCAB O=C(CN1CCN(c2ccnc(N3CCOCC3)n2)CC1)N1CCCCCC1 498897494 MGEMPKQCGIJHHT-UHFFFAOYSA-N 388.516 0.838 0 40 GCAB COc1ncc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1C(N)=O 528835060 QEBLDDJIPXMVEX-UHFFFAOYSA-N 384.392 0.914 0 40 GCAB Cc1snnc1C(=O)N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21 585108453 OQYLOJKTCUSEDI-BZUAXINKSA-N 396.513 0.957 0 40 GCAB CCOC(=O)C1=C(Cn2ccn3nccc3c2=O)NC(=O)N[C@@H]1c1ccco1 1775971924 YRSKTAKYIPXWFE-OAHLLOKOSA-N 383.364 0.960 0 40 GCAB O=S1(=O)N=C(N2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]3C2)c2ccccc21 1888888481 YBLPTNYDZHIODF-TXEJJXNPSA-N 381.479 0.491 0 40 GCAB COc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 6141614 AFOTWLBDVJKNFS-NSHDSACASA-N 382.467 0.876 0 40 GCAB C[C@@H](Sc1nc(Cl)nc2nc[nH]c12)C(=O)N[C@@H]1CCS(=O)(=O)C1 8992924 LOZOBTKRZOPBKC-RNFRBKRXSA-N 375.863 0.790 0 40 GCAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(N)=O)CC2)c1 10263308 FYUDEFZUAWTPOZ-GFCCVEGCSA-N 382.438 0.707 0 40 GCAB CC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 21136115 YFKKYDNHJWUDOT-UHFFFAOYSA-N 383.422 0.991 0 40 GCAB CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 23148891 WUUGVBRJFJLHJJ-UHFFFAOYSA-N 389.449 0.285 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 42379605 UULJOAHYATZGRZ-UHFFFAOYSA-N 389.441 0.778 0 40 GCAB COC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1 58028328 LVVGICLZXMSBGA-UHFFFAOYSA-N 390.845 0.609 0 40 GCAB Cc1csc([C@@](O)(CC(=O)NC[C@H](O)CN2CCCC2=O)C(F)(F)F)n1 72311672 WQRPEWOSEURZIA-HZMBPMFUSA-N 395.403 0.691 0 40 GCAB CCc1nnc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 95999079 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CN(C)C(=O)CN1CCCN(S(=O)(=O)c2cccc3nsnc23)CC1 24688587 IJQWOLZUACZQSB-UHFFFAOYSA-N 383.499 0.476 0 40 GCAB Cc1cc(C(=O)N2CCC[C@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)on1 72324256 CLKNXSIULHUWAX-AWEZNQCLSA-N 388.428 0.599 0 40 GCAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1 78752244 WUZURZKHWPHPPU-KGLIPLIRSA-N 376.413 0.070 0 40 GCAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 84370679 QNVSCAAQDDFNIB-UONOGXRCSA-N 387.889 0.984 0 40 GCAB O=S(=O)(N1CCOCC1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257240551 HUBBLNJFNKWZAM-QGZVFWFLSA-N 391.453 0.489 0 40 GCAB CCC(CC)(NC(=O)C1CN(C(=O)c2ncc3c(F)cccn23)C1)C(N)=O 529380317 PZVXHEYCGKUJJN-UHFFFAOYSA-N 375.404 0.706 0 40 GCAB O=C(NCC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cccnc1 585112952 ZKQJNDSNIZSZGR-AWEZNQCLSA-N 375.454 0.947 0 40 GCAB Cc1noc([C@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)C[C@@H](C)O2)n1 585123327 OWMLWPKNWJVIKK-WPEGABGTSA-N 393.444 0.676 0 40 GCAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 653496356 OMKFCWBJNDAJHG-HNNXBMFYSA-N 381.454 0.398 0 40 GCAB COc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)cc1 1549161306 GNXOFBNJWBGQSP-MRXNPFEDSA-N 385.420 0.963 0 40 GCAB Cn1cc(S(=O)(=O)NCCCN2C(=O)NC(C)(C)C2=O)c(C(C)(C)C)n1 1562021879 SYBYRRPXDQBAQX-UHFFFAOYSA-N 385.490 0.716 0 40 GCAB COCCN1C(=O)[C@H]2CN(C(=O)c3nccs3)CCN2C12CCOCC2 1772595317 LXQACOGZANWWBH-CYBMUJFWSA-N 380.470 0.265 0 40 GCAB O=C(Cc1ccccn1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243087 IMGSLYZDQOGNGV-HNNXBMFYSA-N 394.428 0.055 0 40 GCAB Cc1nc2ccccc2c(=O)n1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 7088545 PFVPRGFHDAUXGV-CQSZACIVSA-N 375.450 0.883 0 40 GCAB CCCn1c(S[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n[nH]c1=O 7364998 MMSQPEKPBWFWKD-WDEREUQCSA-N 376.504 0.498 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1C(=O)N1CCCCC1 8560582 RYMTUFVQFXNDJM-UHFFFAOYSA-N 395.481 0.784 0 40 GCAB COc1cccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1 8743806 TZNXACUQYOICDO-UHFFFAOYSA-N 383.452 0.812 0 40 GCAB COc1ccc(C)cc1NC(=O)CSc1nnc(CCC(=O)O)c(=O)n1N 12347587 PZJQZFKRJRGAPV-UHFFFAOYSA-N 393.425 0.417 0 40 GCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 13070008 HWXPZVIGJQSLGK-UHFFFAOYSA-N 389.481 0.802 0 40 GCAB CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 13097744 HDQYHIHXIWFZSO-INIZCTEOSA-N 394.497 0.979 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 15820303 JASGPITUKWPASC-GFCCVEGCSA-N 399.469 0.829 0 40 GCAB COCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797224 FTYKXPFGFXJCBB-KBPBESRZSA-N 381.903 0.905 0 40 GCAB CC(C)[C@H](CNC(=O)c1ccccc1CN1C(=O)CNC1=O)N1CCOCC1 23188776 QMHBBOIKUIFCHI-KRWDZBQOSA-N 388.468 0.825 0 40 GCAB CC(C)N1C(=O)C(=O)N(CN2CCCc3cc(S(C)(=O)=O)ccc32)C1=O 32916156 KGAGJEMOJPHOIP-UHFFFAOYSA-N 379.438 0.999 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccccc3)C2=O)cc1 49026090 JNTXNRDNAJDVGC-UHFFFAOYSA-N 388.449 0.892 0 40 GCAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NC[C@@H]1CCCO1 49421715 MOABSBDMRVPUKI-ZDUSSCGKSA-N 395.412 0.510 0 40 GCAB Cc1nnc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)n1C 95396797 NNXBKIIYJSJTKP-IBGZPJMESA-N 382.424 0.739 0 40 GCAB CN1CCCc2ccc(S(=O)(=O)N3CCC(C(=O)NCCO)CC3)cc21 95461796 AGTYBZXQMSQIDV-UHFFFAOYSA-N 381.498 0.578 0 40 GCAB CNc1snc(C)c1C(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C 95981282 IWUMJQDGORECTP-UHFFFAOYSA-N 391.500 0.260 0 40 GCAB O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21)N1CCOCC1 96251027 DERHPXOQKGXFIK-BRWVUGGUSA-N 379.482 0.176 0 40 GCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)no1 102617766 WKTICRXQEWRBTH-UQXKVLDMSA-N 375.381 0.884 0 40 GCAB O=C(O)CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423741 QXPOQKCAXAZJST-HUUCEWRRSA-N 399.446 0.073 0 40 GCAB Cn1ccnc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 585149412 QCRKXGJXFLUVJV-UHFFFAOYSA-N 376.364 0.740 0 40 GCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3ccc(F)cc3)[C@@H](O)[C@H]2O1)NC1CC1 604381976 XIRGVVKUYVRVHV-GRLWTPEZSA-N 393.415 0.902 0 40 GCAB biogenic,in-vitro Cc1cc(N2CCOCC2)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1889211589 OOPFNYNWBOAAHD-UHFFFAOYSA-N 381.444 0.615 0 40 GCAB O=C(c1ccncn1)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1 2055713194 CCVIOMWFBHFXJV-UHFFFAOYSA-N 382.346 0.983 0 40 GCAB CS(=O)(=O)N1CCOC[C@@]2(CN(Cc3ccc(F)c(F)c3)CCO2)C1 2055814251 YKKRXUFXGDHRLZ-MRXNPFEDSA-N 376.425 0.828 0 40 GCAB COC(=O)[C@H]([C@H]1N[C@@H](C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O 5081565 CFLMGIZSXQYPJM-SRVKXCTJSA-N 378.406 0.719 0 40 GCAB Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N1CCOCC1 5944097 FDTOGZOJJLEVFY-UHFFFAOYSA-N 392.437 0.362 0 40 GCAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCS(=O)(=O)C1 6078932 AMNSWDCCMULHOR-LBPRGKRZSA-N 380.447 0.652 0 40 GCAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6673290 UTWIDOASKWNBAG-RYUDHWBXSA-N 397.478 0.578 0 40 GCAB COCCn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 9316464 JSTHIZWMTLJQAG-UHFFFAOYSA-N 399.498 0.906 0 40 GCAB Cc1cccc(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 9803642 MVKIGHTXPLAQGC-UHFFFAOYSA-N 396.451 0.091 0 40 GCAB C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 14069278 DAGUGPCRVJORKW-GDBMZVCRSA-N 394.497 0.407 0 40 GCAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 15350418 KWQAKLHQRDNCNM-QWHCGFSZSA-N 383.470 0.936 0 40 GCAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC(=O)NC2CCCC2)CC1 22789969 JCVIIQGDUSKZHT-UHFFFAOYSA-N 381.521 0.677 0 40 GCAB C[C@H]1CCCN(C[C@@H](O)CN2CCN(C[C@@H](O)CN3CCC[C@@H](C)C3)CC2)C1 23480259 ALWBJNQJXWWQBC-COPRSSIGSA-N 396.620 0.790 0 40 GCAB COc1ccc(N2C[C@H](C(=O)NCC(=O)NCc3cccnc3)CC2=O)cc1 31820812 LBKDOSPMHOMHKX-OAHLLOKOSA-N 382.420 0.876 0 40 GCAB O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@@H]1COc2ccccc2O1 43077131 QFOIUCPRCVYEAG-CQSZACIVSA-N 387.440 0.910 0 40 GCAB O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CCc3c(F)cccc32)CC1 56858216 IIBZYNDWURMDBA-SFHVURJKSA-N 390.459 0.999 0 40 GCAB COC(=O)Cn1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1=O 67245813 XLEICXQQABPQKS-UHFFFAOYSA-N 391.449 0.532 0 40 GCAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C(C)(C)C(N)=O)CC2)cc1OC 72308872 FWEKARICQSZNSN-CYBMUJFWSA-N 378.473 0.912 0 40 GCAB O=C(CCCNC(=O)c1ccc(F)cc1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 95405232 NPJLUIJBVACWMW-DJJJIMSYSA-N 390.415 0.830 0 40 GCAB Cc1ncn(CC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c(=O)c1C 96377628 JOKNJJWQCVPLEB-UHFFFAOYSA-N 379.413 0.684 0 40 GCAB C=CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 101192497 UPUKDCLNFWZQGS-AWEZNQCLSA-N 384.270 0.190 0 40 GCAB O=c1c(NCCOCCO)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101701887 UHLRIDJVGBDIMC-UHFFFAOYSA-N 379.844 0.683 0 40 GCAB C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 107133952 FPIDJNWAPXFAQV-YDZRNGNQSA-N 392.544 0.404 0 40 GCAB Cc1cc(C)c(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1C 575422024 LTJPJKXMZORMJI-UONOGXRCSA-N 376.500 0.237 0 40 GCAB Cc1ccc(-n2nc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)cc2C)cc1 643433307 XQMVCVWDBFWRPF-HNNXBMFYSA-N 377.422 0.813 0 40 GCAB CCN(C(=O)COC(=O)c1c(C)nsc1NC)[C@@H]1CCS(=O)(=O)C1 9050507 QKLPVFDXRLSIDH-SNVBAGLBSA-N 375.472 0.686 0 40 GCAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OC 13581493 HOFWBDLYSKHKKK-UHFFFAOYSA-N 399.513 0.788 0 40 GCAB COc1cc(NC(=O)C(=O)NCCCO)ccc1N1CCCCS1(=O)=O 40268799 DBGXRYAICZTDLS-UHFFFAOYSA-N 385.442 0.062 0 40 GCAB Cn1nc(C(=O)N2CCN(c3ccccc3F)CC2)c2c1CCS(=O)(=O)C2 41070325 LRWGJRIKOIWZTC-UHFFFAOYSA-N 392.456 0.993 0 40 GCAB O=C(NCCO)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945195 OXQOJCHGNMWCBQ-KRWDZBQOSA-N 386.452 0.368 0 40 GCAB CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CCN(C)C)CC1 58227195 IWCGYBOZSHIIKP-KRWDZBQOSA-N 388.578 0.677 0 40 GCAB Cc1cc(CNS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)n(C)n1 96193182 MKJVGFCYEGAVFP-UHFFFAOYSA-N 380.470 0.982 0 40 GCAB COc1ccc(N(CCCC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 222604395 KJVQOVPBXWSJAE-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB Cn1cc(CC(=O)NCCn2c(=O)[nH]c3ncccc3c2=O)c2ccccc21 225794765 KEILGQDXHRYYRC-UHFFFAOYSA-N 377.404 0.935 0 40 GCAB COc1ccccc1OCc1cn(CC(=O)NCCN2CCOCC2)nn1 227160769 DNKPKAXSGJVSEO-UHFFFAOYSA-N 375.429 0.314 0 40 GCAB CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 255197025 ATMZVVNNICECKQ-MNSFQJRNSA-N 380.481 0.831 0 40 GCAB biogenic O=C(O)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 530154865 WGRBREOZPBVSRX-UHFFFAOYSA-N 388.467 0.112 0 40 GCAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccccc1 572501423 NVVIZHHREPWXLS-INIZCTEOSA-N 396.451 0.629 0 40 GCAB O=C(O)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 666531229 XXSRGLSJPYHXRP-DZGCQCFKSA-N 377.397 0.161 0 40 GCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)CCO1 681940352 AADFYBJOXILQHD-CQSZACIVSA-N 389.412 0.120 0 40 GCAB Cn1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 931280 WXJVTKCKFVWMGE-UHFFFAOYSA-N 381.483 0.844 0 40 GCAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250751 NGHSXENMFUKFKG-OAHLLOKOSA-N 381.454 0.850 0 40 GCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 12137200 NIZRZGBEEUPSAH-OAHLLOKOSA-N 392.408 0.581 0 40 GCAB in-vitro CC1(C)[C@@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2[S@]1=O 12657962 AYTKEKBIWRHMGU-PDGSBEAASA-N 375.038 0.635 0 40 GCAB biogenic COc1ccccc1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12982193 ZWJWOMDISRMLRF-ZDUSSCGKSA-N 379.438 0.477 0 40 GCAB COC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C34)[C@@H]2C1=O 32597827 FPRPJYTYDKSJPK-NEEMSWFVSA-N 378.431 0.718 0 40 GCAB COC(=O)c1cc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc(C(=O)OC)c1 40386610 GZBAIHOXULATOW-NSHDSACASA-N 387.352 0.448 0 40 GCAB COc1ccc(S(=O)(=O)c2cnc(S(C)(=O)=O)nc2N)cc1Cl 57478016 LHMXTEOWHAWHCD-UHFFFAOYSA-N 377.831 0.957 0 40 GCAB CC(C)[C@](C)(O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 72304286 GBPZCOOIEYDDEI-QGZVFWFLSA-N 385.486 0.190 0 40 GCAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 95433724 DFIBGLBDGCQAJP-CHWSQXEVSA-N 377.488 0.432 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(-n3cnnc3)c2)cc1 95475460 UIVVDUZFDMKXRA-UHFFFAOYSA-N 387.421 0.610 0 40 GCAB O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)OCc1ccccc1 113168405 KFZMOOGZFANFGH-MRVWCRGKSA-N 397.334 0.878 0 40 GCAB in-vitro COc1ccc(OC)c(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c1 222674169 IPJOTVBBQDYGNY-UHFFFAOYSA-N 391.380 0.073 0 40 GCAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 227167549 XFOBETFTEFNZRY-UHFFFAOYSA-N 375.410 0.730 0 40 GCAB Cn1ccnc(NC[C@@H]2CN(C(=O)c3cnc4c(F)cccc4c3)CCO2)c1=O 566871003 CFDQFNMUDCGANW-OAHLLOKOSA-N 397.410 1.421 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H](OCCO)c2cccs2)CC1 575621376 NUQCEFMVZACTEM-CYBMUJFWSA-N 376.500 0.586 0 40 GCAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCN(c3ccccn3)CC2)C1 585283856 IHJIXMDZRPMDKR-SIKLNZKXSA-N 396.491 0.842 0 40 GCAB O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 655299168 GTMSMXHTZQBAPM-UONOGXRCSA-N 399.538 0.814 0 40 GCAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)CS(C)(=O)=O)CC1 2055747731 QWCRGTQOBGTFMZ-UHFFFAOYSA-N 383.470 0.259 0 40 GCAB Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 4615316 DJEGZCHXDWXLEQ-INIZCTEOSA-N 396.325 0.532 0 40 GCAB O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234274 IBWQVCYZTACXSI-UHFFFAOYSA-N 383.387 0.946 0 40 GCAB COc1cccc(NC(=O)COc2ccc(C(=O)NN3CC(=O)NC3=O)cc2)c1 13005455 WHPRKQUUDMARBN-UHFFFAOYSA-N 398.375 0.909 0 40 GCAB Cc1cc2nc([C@@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc(O)n2n1 19129687 UTPPNKJIPWSDOO-LLVKDONJSA-N 381.458 0.592 0 40 GCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c1 20327267 BVFUADBHAIXHTB-OAHLLOKOSA-N 389.408 0.139 0 40 GCAB COc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 26971255 IPSZSBPSNNDGQB-UHFFFAOYSA-N 392.799 0.987 0 40 GCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 32641430 AQHJUPSRPLUUOF-TZMCWYRMSA-N 399.465 0.824 0 40 GCAB COc1ccc(CCNC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1OC 32647423 PDCRZTDYPATPKC-UHFFFAOYSA-N 386.412 0.210 0 40 GCAB O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 96025225 KQMVXEUKYOFYSS-UHFFFAOYSA-N 398.807 0.595 0 40 GCAB CCS(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C 96050119 VAQUQGUHHHKJRX-UHFFFAOYSA-N 386.543 0.910 0 40 GCAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1cc(=O)n2ccsc2n1 102400577 LXUNCUKUEVODHJ-TXEJJXNPSA-N 375.406 0.974 0 40 GCAB CN1C[C@@H](C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3cccs3)CC2)CC1=O 225546693 PMQSPSQJWHAYCU-ZDUSSCGKSA-N 389.481 0.882 0 40 GCAB CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 262221622 RAMCCTHMXRUCEC-LBPRGKRZSA-N 387.392 0.308 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2nccnc2N)CCO1 585282987 LJPWWZXNQXPGGM-GOSISDBHSA-N 389.387 0.364 0 40 GCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CN2CCOCC2)CCO1 585285497 YYOIDNRLQSJDDQ-LJQANCHMSA-N 395.431 0.010 0 40 GCAB Cn1cc([C@@H]2[C@@H](CNc3cc(=O)n(C)c(=O)n3C)CC(=O)N2C(C)(C)C)cn1 664115280 RZJGHWBSVFPUAY-PXAZEXFGSA-N 388.472 0.618 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)COc2ccccc2)cc1 3348316 ZPFVUDUFHMLBIG-UHFFFAOYSA-N 391.449 0.188 0 40 GCAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCS(=O)(=O)C1 3448337 FZRZMIRZLKHGNR-MFKMUULPSA-N 398.462 0.336 0 40 GCAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1nccnc1N 5040439 IRSQNEQINBGPEM-UHFFFAOYSA-N 389.387 0.520 0 40 GCAB CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 8654330 KCSFKNUVQSRTEM-UHFFFAOYSA-N 377.832 0.564 0 40 GCAB COc1ccccc1NCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 10108771 PZOZCWFRRXPJSG-UHFFFAOYSA-N 397.439 0.750 0 40 GCAB C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(Cl)c1 12576071 DQUDXUULGJCYOD-SNVBAGLBSA-N 375.816 0.965 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1C(N)=O 12788696 JGINAEUNQVCMIL-UHFFFAOYSA-N 396.494 0.261 0 40 GCAB O=C(CN1CCN(C(=O)c2cccnc2N2CCCC2)CC1)N1CCOCC1 14168279 HZXHMJKQHGJQMD-UHFFFAOYSA-N 387.484 0.298 0 40 GCAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)N1CCN(c2ccc(Cl)nn2)CC1 23142114 IZBAXDHZLRWOPA-UHFFFAOYSA-N 392.847 0.107 0 40 GCAB COC(=O)c1cc(Br)ccc1S(=O)(=O)N1CCNC(=O)C1 33047735 SYHYTTNHLPZBHE-UHFFFAOYSA-N 377.216 0.356 0 40 GCAB Nc1c(C(=O)N2CCOCC2)nnn1-c1cccc(NC(=O)c2ccncc2)c1 33436011 NYFGAPUPNDTZBY-UHFFFAOYSA-N 393.407 0.969 0 40 GCAB C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 44402090 OJZFBNOAGDMBPR-OCCSQVGLSA-N 388.511 0.939 0 40 GCAB C[C@@H](NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)N1CCOCC1 58231973 RJNOYODCVBDHFS-ZIAGYGMSSA-N 375.425 0.554 0 40 GCAB COc1cc2c(=O)n(CCO)c(=O)n(CC(=O)Nc3ccccc3)c2cc1OC 71283794 OBMBMAFESYOCFN-UHFFFAOYSA-N 399.403 0.811 0 40 GCAB NC(=O)Cn1cc(NC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cn1 72274557 ZXOLKCXAHLBVIV-OAHLLOKOSA-N 385.428 0.462 0 40 GCAB NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2O1 79107453 KLOWICFELLWJIY-AEFFLSMTSA-N 381.432 0.709 0 40 GCAB Cc1cc(NC(=O)COc2cn(C)c(C)cc2=O)n([C@@H]2CCS(=O)(=O)C2)n1 80337892 AATXAHAMJDEGJW-CYBMUJFWSA-N 394.453 0.576 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCN1CCOCC1 96231876 RTFAYBIWKMBYOX-HNNXBMFYSA-N 394.859 0.599 0 40 GCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(C(=O)c2ccco2)CC1 101496672 WISLJWNTMJTWLT-GASCZTMLSA-N 385.420 0.905 0 40 GCAB Cc1cn([C@@H]2CN(C(=O)Cn3cnc4ccccc43)CC[C@@]2(C)O)c(O)nc1=O 257326504 WXKUJSWSMHZPBV-OXQOHEQNSA-N 397.435 0.832 0 40 GCAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)C4CC4)C2)C3)cc1 306127255 FTEXKHLUAWNCFK-NRFANRHFSA-N 380.448 0.947 0 40 GCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](OCCO)c1ccsc1 575618629 AHUKPOQTTGAQEX-INIZCTEOSA-N 392.433 0.959 0 40 GCAB C[C@H]1Oc2ccc(NC(=O)N3CCN(CCN(C)C)C(=O)C3)cc2NC1=O 649960943 VAQGWTLVFIEMFB-GFCCVEGCSA-N 375.429 0.644 0 40 GCAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NCC(F)(F)F)c1 3332154 LSESCCSMUCHQCO-UHFFFAOYSA-N 378.303 0.655 0 40 GCAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 9184135 OHMVVTZJXVVVHU-KRWDZBQOSA-N 388.468 0.439 0 40 GCAB CCCNC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(OC(F)F)c1 11700931 IOFQQXOGNZBNLT-UHFFFAOYSA-N 387.339 0.797 0 40 GCAB O=S1(=O)N=C(N2CCCCC2)OS(=O)(=O)N=C(N2CCCCC2)O1 17969217 XRWIUZKBEAKOGP-UHFFFAOYSA-N 380.448 0.207 0 40 GCAB CS(=O)(=O)NCC(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 19707337 BDIUUGAMOSOEAR-UHFFFAOYSA-N 394.497 0.477 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(N)=O)n2CCCOc1ccccc1 23115406 ZONDIMKFEFHXTQ-UHFFFAOYSA-N 389.437 0.470 0 40 GCAB CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccccc2F)C(=O)[C@H]1OC(C)=O 28539546 MOIDFPMKXOENDU-GJZGRUSLSA-N 381.312 0.494 0 40 GCAB CN(C)C(=O)CN1CCN(C(=O)CSc2nnnn2C2CCCCC2)CC1 36383921 WPBAGGXFBTWAAR-UHFFFAOYSA-N 395.533 0.503 0 40 GCAB CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CC1 97637097 RYFIUBFXVRVMMK-OAHLLOKOSA-N 378.498 0.914 0 40 GCAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](O)Cn2ccccc2=O)cc1 206888956 ODTGXMGSGYFKGE-INIZCTEOSA-N 392.477 0.750 0 40 GCAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O 220340848 LZEDVVFOLGKDPM-HNNXBMFYSA-N 399.513 0.607 0 40 GCAB O=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 244037844 SWVFXECNYOLDAZ-UHFFFAOYSA-N 389.389 0.427 0 40 GCAB CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3ccc(C)nc3O)CC2)CC1 257302134 SBQZODVXVWTCIB-FQEVSTJZSA-N 390.484 0.617 0 40 GCAB COCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408604220 LKUDJWFTBWZRES-AWEZNQCLSA-N 386.470 0.628 0 40 GCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2O)CC1 514288640 JQVCSBDLKPAYRP-OKZBNKHCSA-N 395.887 0.752 0 40 GCAB biogenic,in-vitro COc1ccc(OC)c(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c1 575425139 YCZNWRCRPDJXQB-HNNXBMFYSA-N 392.499 0.230 0 40 GCAB Cc1csc(S(=O)(=O)N2C[C@@H](C(=O)NC3CC3)[C@H](c3cn(C)cn3)C2)n1 1614995494 BWZVAWKOJZNFSR-CHWSQXEVSA-N 395.510 0.868 0 40 GCAB COc1cncc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cccn3nnnc23)c1C 1615611990 SSKNDBKAAAFXCD-DIOULYMOSA-N 393.407 0.479 0 40 GCAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)COc5cccnn5)C[C@H]4C3)nn12 1888897410 KZZLUBXJSOKKBA-ZIAGYGMSSA-N 380.412 0.196 0 40 GCAB Cn1cc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(=O)n(C)c1=O 1889139200 OTFBTAWZHJCSFZ-UHFFFAOYSA-N 378.454 0.031 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)c1 6441418 PYEQMKJHWOAWRR-UHFFFAOYSA-N 386.470 0.603 0 40 GCAB CCOC(=O)C(=O)N1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 9304904 SSRJOXUPQOKPEW-UHFFFAOYSA-N 394.453 0.575 0 40 GCAB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N1CC(=O)Nc2ccccc21 12818824 VPNGRVDDDBZZQV-FZMZJTMJSA-N 395.437 0.327 0 40 GCAB Cn1nnc2c(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)ncnc21 13532781 DEKUDLWWHMUMGR-UHFFFAOYSA-N 391.391 0.827 0 40 GCAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCC(OC)OC)[C@@H]4C2=O)cc1 13623618 OFHUHVDPVRUHFV-XNWPKKHHSA-N 388.420 0.717 0 40 GCAB CCS(=O)(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C[C@@H]1C 20449284 RNPLBKHGFNGKIG-AWEZNQCLSA-N 381.498 0.849 0 40 GCAB C[C@@H]1CCCCN1C(=O)COC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 21444098 HIMSIZDASWEOLV-GFCCVEGCSA-N 386.408 0.440 0 40 GCAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NC(C(N)=O)C(N)=O)cc3)o2)c1 30930480 BOWRYONMESIZSU-UHFFFAOYSA-N 379.376 0.781 0 40 GCAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCCS(C)(=O)=O 40122773 ZTQBUACYEQBQGK-CQSZACIVSA-N 388.511 0.464 0 40 GCAB C[C@H]1CN(c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)C[C@@H](C)O1 58214727 OQNOEACWUNRKGU-CALCHBBNSA-N 376.501 0.849 0 40 GCAB CNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 83927637 YLEPLWBPQKBLGF-JJERFVJSSA-N 378.469 0.842 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1=O 90590877 JSIJZYFAKLUKOW-LLVKDONJSA-N 397.357 0.770 0 40 GCAB Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2ccco2)CCC3)cn1 96059652 KSSYONNVNUDAMR-UHFFFAOYSA-N 382.424 0.906 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCn2cnc3ccsc3c2=O)CC1 225773561 ZQRVOKKCABPDRT-UHFFFAOYSA-N 384.483 0.246 0 40 GCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2c3c(nn2C)CCCC3)C1 585123316 MOZORPOWMODYPT-ZDUSSCGKSA-N 383.518 0.770 0 40 GCAB CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OCCNC1=O 643554700 JQCPDEVQBMGZAE-BBRMVZONSA-N 391.424 0.299 0 40 GCAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CC2)C1=O 9712035 UULWYHKCJOFONT-MRXNPFEDSA-N 387.425 0.599 0 40 GCAB COCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(OC)c2)CC1 10256430 XTLXXJKKSWGURS-UHFFFAOYSA-N 383.412 0.514 0 40 GCAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)c2nccnc21 19021475 WSFOABCOXYJNCT-GJZGRUSLSA-N 386.456 0.847 0 40 GCAB CC1CCN(c2nc([C@@H](C)NC(=O)[C@@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 19496991 KRVHYVRLFMFMQY-CHWSQXEVSA-N 382.486 0.618 0 40 GCAB O=C(CCn1cnnn1)N1CCO[C@@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704471 SHNGSNISUFMYMS-FQEVSTJZSA-N 396.451 0.650 0 40 GCAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 36633997 MEHBEFLWYZMEGV-CQSZACIVSA-N 375.381 0.791 0 40 GCAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2-n2cncn2)C1 48234553 IWCVEKOKKPBJRX-HNNXBMFYSA-N 392.485 0.730 0 40 GCAB CCCn1c(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n[nH]c1=O 48314791 MUPFYSQIYMIIAQ-SNVBAGLBSA-N 398.441 0.800 0 40 GCAB COCCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 48326208 FJQZFNULGHAAKT-QGZVFWFLSA-N 398.481 0.724 0 40 GCAB O=C([C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)N1CCOCC1 52518744 DTXVOHRNJLQWOT-GOSISDBHSA-N 391.493 0.668 0 40 GCAB CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CCN(C(=O)C1CCOCC1)C2 96036205 OFXVLKAPQQFBEC-FQEVSTJZSA-N 379.501 0.978 0 40 GCAB CCS[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 96077786 YPNFVZQPWZMHIF-XFIYOXNOSA-N 392.426 0.823 0 40 GCAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 97032298 JTZHJKQHASFVMK-NSHDSACASA-N 399.860 0.917 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225450804 LWAOCYFPCZLINK-CYBMUJFWSA-N 380.474 0.735 0 40 GCAB O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CN(c2ccc(F)cc2)CCN1 257220008 DJEJWKUCJODASZ-MRXNPFEDSA-N 384.477 0.146 0 40 GCAB O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 299045272 DWCKYMHJLSMGNY-GJZGRUSLSA-N 382.438 0.833 0 40 GCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(CCN)[C@]1(C)CCS(=O)(=O)C1 575426638 XHEQXNLDBJRZRV-OAHLLOKOSA-N 390.483 0.220 0 40 GCAB C[C@H](C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCNC1)c1cccs1 583621990 GGDJTHQNBAREBQ-GXTWGEPZSA-N 376.482 0.640 0 40 GCAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H](C)NC1=O 643555399 PSTRQSCEEWVZDO-DETPVDSQSA-N 391.424 0.298 0 40 GCAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CCOCC2)o1 1547139713 YQJMYYXNGNLFOC-GFCCVEGCSA-N 385.438 0.395 0 40 GCAB biogenic O=C(NC1CCC1)c1nnc2n1C[C@]1(CCN(C(=O)[C@@H]3CCOC3)C1)OC2 1565553801 JTGHXGVMDMTQTP-KZULUSFZSA-N 375.429 0.098 0 40 GCAB Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)s2)cnn1-c1ccc(O)nn1 1615560768 LCQFYMVCRYWZHB-UHFFFAOYSA-N 394.438 0.315 0 40 GCAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)C5CC5)C[C@@H]4C3)ncnc21 1888901091 GCKOCERJLAQKFR-STQMWFEESA-N 392.485 0.333 0 40 GCAB COCc1ccc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)cc1 2055715709 DAWWGQYWNKVVRA-YESZJQIVSA-N 382.482 0.859 0 40 GCAB Cn1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)(n3cccn3)CC2)n1 2055772999 HZPRAZACTOXDNH-UHFFFAOYSA-N 384.362 0.927 0 40 GCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)CN1CCCCC1 894414 SNBDALSYFHJRJA-CQSZACIVSA-N 390.488 0.260 0 40 GCAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)N1CCN(c2ccc(F)cc2)CC1 3477119 STBHKOHVDNDCHM-SFHVURJKSA-N 392.456 0.902 0 40 GCAB CCOC(=O)C1CCN(C(=O)CCC(=O)N2CCN(C(=O)OCC)CC2)CC1 4702678 IHALWLFZIIBJDB-UHFFFAOYSA-N 397.472 0.869 0 40 GCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCCC1 6638177 UHXPWLNNOOUDNQ-UHFFFAOYSA-N 383.470 0.750 0 40 GCAB Nc1[nH]c(=S)[nH]c(=O)c1C(c1cccnc1)c1c(N)[nH]c(=S)[nH]c1=O 8450674 RLZZRFRUHAEDIG-UHFFFAOYSA-N 375.439 0.918 0 40 GCAB Cn1c(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc(=O)n(C)c1=O 11287079 SJQSKRPOLNJWGR-UHFFFAOYSA-N 386.813 0.498 0 40 GCAB O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14849013 RHJUDCXDGUVIGT-UHFFFAOYSA-N 381.454 0.980 0 40 GCAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 22933379 NXBMVOSXKKYLKT-CABCVRRESA-N 390.536 0.599 0 40 GCAB COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@@H]2CS(=O)(=O)C[C@H]21 32639823 ADXQAJNRXXOCJP-DGCLKSJQSA-N 383.495 0.858 0 40 GCAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2CCCNC2=O)cc1 68353871 RELRPGPPJKKMNW-AWEZNQCLSA-N 378.454 0.951 0 40 GCAB NC(=O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 72300977 QCRVBGZMUFRIBK-UHFFFAOYSA-N 392.441 0.190 0 40 GCAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)c(OC)c1 89274521 WFLVDIMXBSJJBB-NSHDSACASA-N 378.472 0.772 0 40 GCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3cncnc3C)CC2)CC1 257257580 KQGHHEIRSQNCIY-FQEVSTJZSA-N 389.500 0.743 0 40 GCAB COc1ccc(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1 575426671 YBQZEONAICZNIA-HNNXBMFYSA-N 392.499 0.230 0 40 GCAB CN1CCCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)CC1 585283845 IDHIKUIDGWRQAK-FPOVZHCZSA-N 375.513 0.581 0 40 GCAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCc1cccs1 1549160211 BLDIMMKEDIXHIA-GVDBMIGSSA-N 379.486 0.090 0 40 GCAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965673 JDFSRNCZZHTTLW-UHFFFAOYSA-N 383.339 0.087 0 40 GCAB Cc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 2601133 OZFMMHLQWIXJSA-INIZCTEOSA-N 396.325 0.532 0 40 GCAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3371188 FIZLBZWUONAKAT-UHFFFAOYSA-N 391.833 0.769 0 40 GCAB Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1C1CC1 6582327 BVKBDTZQQPVNIB-UHFFFAOYSA-N 395.510 0.791 0 40 GCAB O=C(Cn1cnc2sccc2c1=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 8341275 ULTHUQVLNQGHGS-CYBMUJFWSA-N 376.438 0.308 0 40 GCAB COc1cc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC 8729099 VSQZKKGLVXWRAP-SECBINFHSA-N 392.412 0.375 0 40 GCAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1OC 16187551 QDQXGDMCVCNUFB-UHFFFAOYSA-N 399.469 0.048 0 40 GCAB CN(C)C(=O)COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 24625742 ZPFLZFCAVVWGPX-UHFFFAOYSA-N 384.458 0.008 0 40 GCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCCO2)cc1C 28209795 LGLMMIMXCGZVFP-ZFWWWQNUSA-N 396.465 0.979 0 40 GCAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(I)cc2)c(=O)[nH]1 32553901 GNJNUGOJZBSNIG-UHFFFAOYSA-N 393.162 0.469 0 40 GCAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@H](C(F)(F)F)C1 32841762 HJODHMLTWDMOLM-QWRGUYRKSA-N 395.403 0.953 0 40 GCAB CCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 35291066 KVRARQALBIUHCG-UHFFFAOYSA-N 398.467 0.810 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 44848535 WSHVEIVSVUWULJ-HNNXBMFYSA-N 398.504 0.993 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCc2ccc(F)cc2)CC1 58159662 QBILHGDDTMFETG-UHFFFAOYSA-N 376.388 0.329 0 40 GCAB CCn1cc(Cl)c(C(=O)NC2CCN(S(=O)(=O)CCOC)CC2)n1 72265416 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NS(=O)(=O)Cc1ccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 10706200 AAGJUZZBFKBTFI-UHFFFAOYSA-N 386.433 0.571 0 40 GCAB CC(=O)N1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 11180522 BRCNNZZDGFVQQX-UHFFFAOYSA-N 393.241 0.850 0 40 GCAB CN(CC(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1ccc(Cl)s1 14252654 UBOLAQPNEOIJJP-VIFPVBQESA-N 379.891 0.746 0 40 GCAB CN(C)S(=O)(=O)NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 19419341 RPTXZEUSICUBSF-UHFFFAOYSA-N 382.876 0.943 0 40 GCAB CN(CC(=O)Nc1ccc(N2CCCC2)c2nonc12)[C@@H]1CCS(=O)(=O)C1 19655210 VOJOVWJADIFNST-GFCCVEGCSA-N 393.469 0.880 0 40 GCAB O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CCN1 32631747 NHVVAGYKTLFYOC-UHFFFAOYSA-N 395.462 0.608 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 68323228 NZNWTZYNFULIEH-CYBMUJFWSA-N 389.905 0.845 0 40 GCAB CCN(C(=O)COC(=O)C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 89960938 DMAOSMASOVIQRF-RYUDHWBXSA-N 381.541 0.804 0 40 GCAB COCCCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccsc2)CC1 96126358 FXFLPPHICZSEDP-UHFFFAOYSA-N 382.530 0.477 0 40 GCAB Cc1cc(C(=O)N2CC[C@@]3(COCc4cnc(N5CCOCC5)nc43)C2)no1 96244161 OVKJLQNMKBICHH-IBGZPJMESA-N 385.424 0.924 0 40 GCAB C[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101525871 IWVSPGRPNPWQGN-AVGNSLFASA-N 384.392 0.856 0 40 GCAB CCCNC(=O)c1ncn2c1CN(CC(=O)NC)S(=O)(=O)c1ccccc1-2 105201462 GPPBJZQROGIACQ-UHFFFAOYSA-N 391.453 0.262 0 40 GCAB NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 224223180 LQDQLCFTUYMOOI-UHFFFAOYSA-N 377.466 0.872 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C(C)C 257320660 VXUMAVFYNAXIBZ-INIZCTEOSA-N 399.488 0.657 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)N1CCOCC1 408616911 BNMOYTQPCZEFTH-UHFFFAOYSA-N 395.481 0.353 0 40 GCAB CN1CCOc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N2CCC[C@H]2C1=O 643555223 LORBHKDIFAYYDM-KBPBESRZSA-N 389.408 0.102 0 40 GCAB O=C(CCc1cncnc1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1565545493 HKCZKHUZNJLTQF-PXNSSMCTSA-N 399.451 0.443 0 40 GCAB COC(=O)c1ccc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)o1 3351680 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Cn1c(=O)n(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)c2ccccc21 572486364 WOXVHJSUKLDRCD-GFCCVEGCSA-N 384.396 0.493 0 40 GCAB Cc1ccc(-n2cccn2)cc1NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 626534292 FBJBFBYAPVKXCZ-HNNXBMFYSA-N 393.469 0.963 0 40 GCAB Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)n1 2086886912 BTGXSVVTOGVJEE-IYBDPMFKSA-N 376.505 0.609 0 40 GCAB Nc1cc(S(=O)(=O)O)cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc12 1669733 NBMNUPZHNCDTIM-UHFFFAOYSA-N 383.381 0.162 0 40 GCAB O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 6575176 CTNAJLAPTMXBMN-MIJXAVMKSA-N 383.451 0.205 0 40 GCAB CCc1ccc(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 7989801 UTUWQSYILOHNFF-UHFFFAOYSA-N 390.421 0.484 0 40 GCAB CC[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8814450 IAWSJIXZFIWOAB-JTQLQIEISA-N 382.471 0.798 0 40 GCAB COc1cccc(-c2nnn(CC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)n2)c1 9495231 GPMHHYWEECARRO-AWEZNQCLSA-N 391.453 0.527 0 40 GCAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c1 13685942 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O=C(CN1Cc2ccccc2C1=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 604418934 WJSOJDGKOMKSLJ-UHFFFAOYSA-N 378.388 0.462 0 40 GCAB CCc1ccc(NC(=O)C(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1 1889218130 SPKWDUJSPUZHQW-UHFFFAOYSA-N 397.497 0.744 0 40 GCAB COc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1 806198 CWGLULCBFALTHH-UHFFFAOYSA-N 384.439 0.820 0 40 GCAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 4800345 JHIZUMWZXMVAJS-ZDUSSCGKSA-N 380.495 0.801 0 40 GCAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@@H]2SC1 6745221 JRMINOVSGFETCQ-LRDDRELGSA-N 382.438 0.868 0 40 GCAB C[C@@]1(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCS(=O)(=O)C1 9548987 LKFOEFYYJPCKBY-QZTJIDSGSA-N 391.449 0.073 0 40 GCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(OC)c(OC)c1 10339417 ZVOXQIRMBPOFEV-HZPDHXFCSA-N 391.424 0.742 0 40 GCAB Cc1nc2n(n1)CCN(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 12185973 GRIBEMMOYJUIAE-UHFFFAOYSA-N 391.453 0.263 0 40 GCAB COc1ccc(Cl)cc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)O 12443250 MIJGTSKRYMRVPM-UHFFFAOYSA-N 379.760 0.914 0 40 GCAB C[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)C[C@@H](C)O1 12645243 MFYLSGXSLHWLMG-UYSIFFEZSA-N 389.408 0.818 0 40 GCAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(c2ccc3nnnn3n2)CC1 12919238 ZPYQMGAOLKYQAL-AWEZNQCLSA-N 395.423 0.692 0 40 GCAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCOCC1 19079706 UQVJCOWDXGMGHQ-ZDUSSCGKSA-N 384.483 0.853 0 40 GCAB COC(CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1)OC 19797041 JCWVRPKJCGEBLR-KBPBESRZSA-N 377.484 0.143 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CC1 48293176 HSFOAWQSUBEKFQ-GFCCVEGCSA-N 387.893 0.450 0 40 GCAB Cc1ccc(CN2CCCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3C)CC2)cc1 48302666 DKLVDEIIWNZHQW-UHFFFAOYSA-N 396.495 0.991 0 40 GCAB COC(=O)[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1C(=O)OCc1ccccc1 79420004 CJZXRKLCROXJCM-CVEARBPZSA-N 377.441 0.992 0 40 GCAB C[C@H](NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccc(Br)cc1 95407438 UWFXGCSNFVYQEJ-GWCFXTLKSA-N 395.257 0.862 0 40 GCAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(C)(C)CO)CC3)CC2=O)cc1 95444594 CKOYVZQLVOKVEO-HNNXBMFYSA-N 375.469 0.963 0 40 GCAB O=C(N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)c1ccccn1 95998995 ZACBNGKVWYGJLP-CYBMUJFWSA-N 389.424 0.826 0 40 GCAB COC(=O)[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 96012745 HRRIWITXJWSVJE-HNNXBMFYSA-N 383.422 0.816 0 40 GCAB O=C(C1CCC1)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 96243728 YIZBXOOJGWJYQJ-MRXNPFEDSA-N 388.468 0.759 0 40 GCAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224568546 KSSXFIMZGNRFNR-JTQLQIEISA-N 389.424 0.843 0 40 GCAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(C(N)=O)CC1 224980205 BIADAUISCHCQIS-INIZCTEOSA-N 397.497 0.964 0 40 GCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1ccccc1 225381987 IAODHGPEINCJCG-MOPGFXCFSA-N 392.459 0.640 0 40 GCAB biogenic,in-vitro C[C@]1(C2CCN(C(=O)Cc3ccc(-n4cnnc4)cc3)CC2)NC(=O)NC1=O 520219872 MBEAEXWKHYQZKX-LJQANCHMSA-N 382.424 0.647 0 40 GCAB Cc1c(C(=O)N2CCS(=O)(=O)CCO2)nnn1Cc1ccc(F)cc1F 1121198808 JWVWBHKLTHYTMM-UHFFFAOYSA-N 386.380 0.715 0 40 GCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1cc(C)on1)CC2 1772595315 LVNGZQGFJSHIFZ-QGZVFWFLSA-N 377.489 0.380 0 40 GCAB CCOc1ccc(C(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)nn1 1888897720 QXGPKYFNDPAJSZ-ZIAGYGMSSA-N 394.439 0.830 0 40 GCAB O=C(NCc1cccnc1)[C@@H]1CO[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@@H]2C1 2055717983 RAURZIAIVNLXTL-YQQAZPJKSA-N 379.482 0.917 0 40 GCAB COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1 1607872 LZHVHZJESCMXKN-UHFFFAOYSA-N 384.345 0.191 0 40 GCAB CCn1c(SCC(=O)N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4161096 FNJNXGZXWOCOEK-UHFFFAOYSA-N 379.486 0.948 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnc2ccccc2n1 6850015 ARJMSAALAIRMAW-LBPRGKRZSA-N 376.438 0.395 0 40 GCAB COc1ccc(C(=O)NC2=NCCS2)cc1S(=O)(=O)N1CCOCC1 6941676 GQVDQSFMNHOBLH-UHFFFAOYSA-N 385.467 0.549 0 40 GCAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7941192 GPSJRGAHPXHVOC-UHFFFAOYSA-N 379.438 0.949 0 40 GCAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(CCO)CC1 20760451 CFRKWIVXYMRMSH-UHFFFAOYSA-N 385.468 0.372 0 40 GCAB biogenic CC(C)CN(C(=O)CN1CSCC1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21355783 PMPDRXWJVVORPJ-UHFFFAOYSA-N 397.501 0.297 0 40 GCAB O=S(=O)(NCc1ccoc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 32927583 JJBDGPGJAGJPEX-UHFFFAOYSA-N 386.451 0.779 0 40 GCAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2cccnc2)CC1 58341998 LAILKUUNGHQTKH-ZDUSSCGKSA-N 376.442 0.205 0 40 GCAB O=C(CN1C(=O)CCC1=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77197987 GXXPNDDERHMQIF-UHFFFAOYSA-N 383.408 0.177 0 40 GCAB CCN(Cc1ccccc1)C(=O)CNC(=O)CCNS(=O)(=O)C(F)(F)F 78964452 NWOHEMQKPGZHFQ-UHFFFAOYSA-N 395.403 0.981 0 40 GCAB Cc1nc(CN2CC[C@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)cs1 96225692 YPLSTQWMXPXZAZ-SFHVURJKSA-N 393.513 0.621 0 40 GCAB CCCS(=O)(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C 96262238 JNCBRMFRHBNNRK-LSDHHAIUSA-N 393.513 0.575 0 40 GCAB CNc1ccccc1C(=O)[C@@]1(C)[C@@H](C(=O)NCCOC)[C@H]1C(=O)NCCOC 100493074 BROVBIZBHLZLMY-IGOJGBNBSA-N 391.468 0.689 0 40 GCAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 226746833 WPBQNLINXQHVHF-KGLIPLIRSA-N 384.440 0.947 0 40 GCAB CCN1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C(=O)C1=O 252480001 BRKKOQGIJJSGJF-UHFFFAOYSA-N 378.408 0.232 0 40 GCAB Cc1noc(CN2CCCC[C@@H](NS(=O)(=O)C[C@@H]3CCCCO3)C2=O)n1 643681416 PAWZNSHUBYIQPP-UONOGXRCSA-N 386.474 0.748 0 40 GCAB CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2ncncc2C(=O)O)CC1 649389578 NAQGHCKZSIDHNN-UHFFFAOYSA-N 382.364 0.968 0 40 GCAB CS(=O)(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645952 YQKZTXWZLFYSFX-KGLIPLIRSA-N 378.447 0.000 0 40 GCAB O=C(Cc1ccccn1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332242982 SDEFTOYTMANHHQ-INIZCTEOSA-N 379.482 0.115 0 40 GCAB CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1 4454235 VLJRQVRKCURRPU-UHFFFAOYSA-N 396.495 0.818 0 40 GCAB Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 4615313 DJEGZCHXDWXLEQ-MRXNPFEDSA-N 396.325 0.532 0 40 GCAB COC(=O)c1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 7694266 NFLZCRMLTBOPIF-UHFFFAOYSA-N 386.408 0.999 0 40 GCAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CC(N)=O)cs1 8745327 BNYIDDYHTCPLDQ-MRVPVSSYSA-N 386.430 0.616 0 40 GCAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1=COCCO1 12626975 OMQQCXFICQLZFE-UHFFFAOYSA-N 382.438 0.353 0 40 GCAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12934159 RZXVAFQASGUBEP-UHFFFAOYSA-N 388.808 0.642 0 40 GCAB COCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022313 BUONQAWZMCXZSY-MBEDUYFXSA-N 393.827 0.088 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(Cl)cc1 20637060 NYJINFLWUYXNNF-GJZGRUSLSA-N 392.843 0.820 0 40 GCAB CC(C)C(=O)NCCNC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 25602529 YFKDZJNKJVGCGN-LSDHHAIUSA-N 381.473 0.857 0 40 GCAB O=C1CN(c2ccc(NC(=O)c3cccnc3N3CCOCC3)cn2)CCN1 27265262 FLQQFQREESXERE-UHFFFAOYSA-N 382.424 0.502 0 40 GCAB C[C@@H]1CN(CCNC(=O)c2nc(N3CCOCC3)ncc2Cl)C[C@@H](C)O1 48354085 WVQRDTJMAIDFDV-CHWSQXEVSA-N 383.880 0.806 0 40 GCAB COc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)c(OC)c1 62007011 AHSQFXVMAPKSHH-UHFFFAOYSA-N 390.421 0.968 0 40 GCAB CC(=O)[C@H](C(=O)N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1 71404972 STLFWKVWMFPGFQ-WFGGJUAMSA-N 376.434 0.991 0 40 GCAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccnc(N3CCOCC3)n1)C2 72348192 CEBRUOIOHCTGRH-UHFFFAOYSA-N 397.483 0.555 0 40 GCAB Cn1c(=O)c2c(ncn2CCN[C@@H](C[S@](C)=O)c2ccccc2)n(C)c1=O 95462659 BSBARUDAOFJNGK-PGGUUEOZSA-N 389.481 0.143 0 40 GCAB CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C)s1 95996966 MQWAQEXSZGUNLD-NSHDSACASA-N 376.456 0.125 0 40 GCAB O=c1c(NCCN2CCOCC2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101697816 VTRGLYLVUKSHFG-UHFFFAOYSA-N 388.443 0.492 0 40 GCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 253490600 JJSAYZWZXCSGAL-MRXNPFEDSA-N 377.470 0.386 0 40 GCAB O=C1N(c2cncnc2)C[C@@]2(F)CN(S(=O)(=O)c3ccccc3)C[C@@]12F 306127399 FXYWXKJQOYPUSZ-JKSUJKDBSA-N 380.376 0.944 0 40 GCAB Cc1cc([C@@H](C)NC(=O)Cn2cc(C[C@@H]3NC(=O)NC3=O)nn2)c(C)s1 583623890 NFFGDXPIDLLPSD-RNCFNFMXSA-N 376.442 0.584 0 40 GCAB CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3)C2)CC1 585278655 PWPOHYAFXPLEAB-FQEVSTJZSA-N 378.469 0.502 0 40 GCAB CN(C)c1nccc(N2CCC[C@]3(CN(C(=O)c4csnn4)CCO3)C2)n1 1565552491 XBXCUQSJJYVWTL-QGZVFWFLSA-N 389.485 0.906 0 40 GCAB N=c1nn[nH]n1-c1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1 1597170211 GQYJMVYDYNGPDW-OAHLLOKOSA-N 381.396 0.589 0 40 GCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccc(C)o1)CCN(S(C)(=O)=O)C2 2055796199 OSPDMPDKGYKRON-KRWDZBQOSA-N 383.470 0.544 0 40 GCAB Cc1nccn1-c1ccc(N2CCN(c3ncnc4c3ncn4C)CC2)nn1 2086867544 ZBQGTYJYHZGQMQ-UHFFFAOYSA-N 376.428 0.974 0 40 GCAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 3366810 YJVYQMGNLVYARM-VGVSSDJJSA-N 394.449 0.352 0 40 GCAB NC(=O)NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3379103 ZATGSSUFWJYBGM-BZNIZROVSA-N 381.385 0.454 0 40 GCAB CCn1c(SCC(=O)N2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4161087 LMRRVJKYHCDKNH-LLVKDONJSA-N 379.486 0.947 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NC2CC2)c1 4569706 CUICZYATGHYXRO-HNNXBMFYSA-N 379.482 0.851 0 40 GCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NCC(F)(F)F)C2=O 6508080 OUPDPCRSTLNZQI-OTYXRUKQSA-N 379.335 0.709 0 40 GCAB Cc1c(CCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc(O)ccc12 13624646 GXIXUONVCDBJJS-KBPBESRZSA-N 381.406 0.014 0 40 GCAB CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CCN1CCOCC1 20589719 MBHINYYVGMEUAB-UHFFFAOYSA-N 381.454 0.579 0 40 GCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1nnnn1-c1ccccc1 26699484 FZOIVONUDNZJQM-UHFFFAOYSA-N 384.396 0.960 0 40 GCAB C[C@H](NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)N1CCOCC1 58231967 RJNOYODCVBDHFS-UONOGXRCSA-N 375.425 0.554 0 40 GCAB NC(=O)C1CCN(c2ncc3c(=O)n(-c4cccc(F)c4)c(O)nc3n2)CC1 67264289 XQOBITVBSCAOOD-UHFFFAOYSA-N 384.371 0.722 0 40 GCAB COCCN1C[C@@H](C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CC1=O 67851763 OOIQXLHWPGHPLZ-ZDUSSCGKSA-N 395.406 0.744 0 40 GCAB Cn1ncnc1COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 89741176 JZCAXUMSXNMDLP-UHFFFAOYSA-N 381.458 0.005 0 40 GCAB CCOc1ccc(S(=O)(=O)NCCn2nc(-n3cncn3)ccc2=O)cc1 96025217 BTFCAUPMHSWZKO-UHFFFAOYSA-N 390.425 0.201 0 40 GCAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(S(=O)(=O)N(C)C)CC2 96260563 IYAFEAWQZQFAIL-UHFFFAOYSA-N 381.502 0.470 0 40 GCAB CC(C)CNC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96264018 AOSHZEMNKRJSCV-RYRKJORJSA-N 394.497 0.805 0 40 GCAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c(CC(=O)O)c1 580190251 ITEJDJRIMUEWKV-YVEFUNNKSA-N 385.438 0.891 0 40 GCAB Cn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 585083632 TZBFOSKVVPGHOI-CQSZACIVSA-N 375.454 0.812 0 40 GCAB O=c1[nH]ccnc1N1CCC[C@@H](NS(=O)(=O)c2cccc3c2OCC3)C1 643213116 LQJSZRSISCLHSS-CYBMUJFWSA-N 376.438 0.652 0 40 GCAB COc1cc(Br)cc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c1 654786390 BNXSRKRMKBGZFS-NSHDSACASA-N 380.216 0.932 0 40 GCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cccnc2)CC1 1772595373 QHRLMQUTMHHDKL-GOSISDBHSA-N 383.496 0.882 0 40 GCAB CC1CCN(C(=O)CN2CCN(c3nccc(N4CCOCC4)n3)CC2)CC1 1889122606 DDLBMZJRFVQJQS-UHFFFAOYSA-N 388.516 0.694 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 4574705 ZJNITTSQIVIBPV-IOASZLSFSA-N 392.456 0.434 0 40 GCAB CCNC(=O)[C@H](C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[C@H](C)CC 8729106 JOYRQFJXDRHADZ-XUJVJEKNSA-N 394.497 0.781 0 40 GCAB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F)NC1CCCC1 10901106 GFEKJUYGYWVCSU-UHFFFAOYSA-N 394.371 0.984 0 40 GCAB O=C(NCc1ccccn1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029412 JJZKTOJZTRDELU-MRXNPFEDSA-N 394.474 0.972 0 40 GCAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 12684014 RXLJGLOYFYWZKH-UHFFFAOYSA-N 383.445 0.575 0 40 GCAB CCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 19501338 YKIMDFXANBGTRF-CQSZACIVSA-N 397.501 0.398 0 40 GCAB COC(=O)[C@@H](NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(C)C 20762703 BCUKDSBPVPTJAY-INIZCTEOSA-N 377.397 0.728 0 40 GCAB biogenic CN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)CC1 28208013 ABAMJNMGOCLGJZ-UHFFFAOYSA-N 375.878 0.743 0 40 GCAB Cc1cc(N2C[C@@H](C(=O)NN3CC(=O)NC3=O)CC2=O)ccc1Br 29023808 LFOBJGNFBCMTPI-VIFPVBQESA-N 395.213 0.693 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cnn(-c2ccccc2)c1 29121799 VHOMZIVQBHNHDA-INIZCTEOSA-N 376.482 0.998 0 40 GCAB CC(C)C[C@@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)C(=O)N(C)C 47070578 PAGPYSORGYSFAR-CRAIPNDOSA-N 386.562 0.996 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCCNc2cc(-n3cccc3)ncn2)CC1 90607806 MDMWENGMBMOZES-UHFFFAOYSA-N 392.485 0.467 0 40 GCAB CS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)c3cnccn3)C2)cc1 96269028 GBNIQAYDVVUHLQ-CQSZACIVSA-N 377.422 0.800 0 40 GCAB biogenic,in-vitro Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 97046588 LVVBKSNXYOCHIP-UHFFFAOYSA-N 380.514 0.174 0 40 GCAB CC(C)CNC(=O)CNc1c(N2CCN(Cc3ccccc3)CC2)c(=O)c1=O 101698483 YJRJJAANBVESGZ-UHFFFAOYSA-N 384.480 0.789 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)NCCn1nnc2ccc(F)cc2c1=O 253402232 OBMQOCSPZBQEON-UHFFFAOYSA-N 394.366 0.457 0 40 GCAB O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1ccnc(N2CCCC2)n1 508754131 PUBQTFNDQVLMEI-UHFFFAOYSA-N 390.465 0.773 0 40 GCAB COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCCN(C(C)=O)CC3)[C@@H]2O)cc1 514289698 YMOKDMAFAADBFV-GBESFXJTSA-N 391.468 0.108 0 40 GCAB biogenic,in-vitro COC(=O)[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1cccnc1 562210297 XFCHXSMTODNAJD-INIZCTEOSA-N 377.422 0.781 0 40 GCAB Cn1cc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(=O)n(C)c1=O 640331844 GLLYBLCZGMODJQ-LLVKDONJSA-N 379.367 0.763 0 40 GCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 643431354 HXCHRCWPAFZTAP-NSHDSACASA-N 389.813 0.825 0 40 GCAB NC(=O)c1cnc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 1116866579 GYMLUFFXKWINQH-NSHDSACASA-N 386.861 0.474 0 40 GCAB CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cn1 2732373 UEXGTLGSNLRZIK-OAHLLOKOSA-N 394.501 0.662 0 40 GCAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 4249340 BBEHOLDGLNDUFV-CYBMUJFWSA-N 396.451 0.081 0 40 GCAB CCOc1ccc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4303923 GWUHQCXISRWDRD-UHFFFAOYSA-N 396.407 0.331 0 40 GCAB CC(C)C(=O)Nc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 7901374 HOGQOAQDWUMCGB-UHFFFAOYSA-N 383.408 0.911 0 40 GCAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 12647743 GNFHBVWKSRHSJK-UHFFFAOYSA-N 399.407 0.620 0 40 GCAB Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CN3C(=O)CCC3=O)nc12 19126922 OTRVYBBGGJMXNV-ZDUSSCGKSA-N 395.419 0.611 0 40 GCAB NC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2c1CCC2 20573308 XEGFQTOVEALKIN-UHFFFAOYSA-N 380.470 0.113 0 40 GCAB O=C(COC(=O)CCn1nc(-c2cccs2)oc1=O)NC[C@H]1CCCO1 32824323 GSXNTELSJQIBBV-LLVKDONJSA-N 381.410 0.793 0 40 GCAB Cc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCOCC4)cn3c2=O)cc1 49408087 ZXQHKYQGIKJASM-UHFFFAOYSA-N 388.449 0.874 0 40 GCAB COCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 50080033 NTHLRYZQDLODGC-MRXNPFEDSA-N 386.470 0.913 0 40 GCAB CCNC(=O)CN1CCN(C(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)CC1 58011147 XXJGUVNQRDTSOC-UHFFFAOYSA-N 376.432 0.825 0 40 GCAB COc1ccccc1N1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CC1 70818177 WYANFEUKXWAACG-UHFFFAOYSA-N 379.482 0.768 0 40 GCAB CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 72260121 RCOCQQGIVFFXLJ-UHFFFAOYSA-N 382.424 0.140 0 40 GCAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CO)CCO1 72389079 DUXPNVKLTKKRDA-OAQYLSRUSA-N 383.448 0.969 0 40 GCAB COc1cn(CC(=O)NCC2CCOCC2)c(CN2CCOCC2)cc1=O 95476522 ZCKZRYUPDPBVNM-UHFFFAOYSA-N 379.457 0.232 0 40 GCAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)o1 96225691 JZUKNODPQDQYSS-LJQANCHMSA-N 376.457 0.757 0 40 GCAB O=S1(=O)CCC(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 238830490 FUIYSXASBVVUMB-UHFFFAOYSA-N 394.465 0.848 0 40 GCAB CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1C(N)=O 257242110 IBDRMSKSGYNMOZ-CQSZACIVSA-N 399.417 0.945 0 40 GCAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 324496443 PTIWMZDGZWPUDT-JTQLQIEISA-N 397.858 0.208 0 40 GCAB CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 548026048 SJLWANXNTAXCSS-YQQAZPJKSA-N 397.545 1.562 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H](OCCO)c2ccsc2)CC1 575621458 OLSKAFLMDLQPAC-CQSZACIVSA-N 376.500 0.586 0 40 GCAB Cn1c(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc(=O)n(C)c1=O 663384321 HIDIOMQSQDNPLW-UHFFFAOYSA-N 382.424 0.456 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(C(=O)NCc4ccc(F)cc4)C[C@H]3C2)cc1=O 1888869717 VDMAGQPXTYYYIP-OKILXGFUSA-N 387.415 0.903 0 40 GCAB Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 2086886911 BTGXSVVTOGVJEE-HZPDHXFCSA-N 376.505 0.609 0 40 GCAB CC(=O)N[C@H](COC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O 4990526 KQLKRKAMQRLYLO-FPCVCCKLSA-N 389.401 0.069 0 40 GCAB CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 5044044 QEFLAMIZQMCTDI-CQSZACIVSA-N 379.438 0.220 0 40 GCAB O=C(CSc1nc2ccccc2n1CC(=O)NCCCO)NCCCO 5387739 ICUMIUFJBUWMFU-UHFFFAOYSA-N 380.470 0.126 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)Cn2cnc3ccsc3c2=O)c2ccccc2O1 11652012 TXABIJKFRSTCSA-AWEZNQCLSA-N 384.417 0.998 0 40 GCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 12444924 XKRYIYYRCFJXJF-UHFFFAOYSA-N 393.444 0.498 0 40 GCAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC[C@H]2CCCO2)ccc1F 13371806 YGYIVCUBXXZALK-KCXAZCMYSA-N 391.486 0.842 0 40 GCAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c(C)c12 13623558 NQBXDVYBKVTZNE-QWHCGFSZSA-N 395.433 0.235 0 40 GCAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 16761190 ZJVKEBHBIHFARI-UHFFFAOYSA-N 389.437 0.057 0 40 GCAB COc1ccc(OC)c(S(=O)(=O)NCCNC(=O)c2snnc2C)c1 32647853 OFFRRJMRAZXSHH-UHFFFAOYSA-N 386.455 0.572 0 40 GCAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 58429968 GFIFMXHRELAQIB-UHFFFAOYSA-N 392.379 0.169 0 40 GCAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@@H]1CCCO1 72326016 RUFBLEWFMGHEES-XOBRGWDASA-N 387.436 0.813 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)cc1 77190848 CKWUZODDXPFXPE-UHFFFAOYSA-N 378.454 0.676 0 40 GCAB CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cn(-c3cccc(C)c3)nn2)cn1 95456505 OMXRFJFCJPEKID-MRXNPFEDSA-N 385.428 0.879 0 40 GCAB CC(=O)N[C@H]1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1 95468471 QMKZUVCMAOWFNE-FQEVSTJZSA-N 394.560 0.938 0 40 GCAB COc1ncccc1C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998309 JDLWXUSYHVRFCI-KRWDZBQOSA-N 398.467 0.777 0 40 GCAB CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 105040393 AUMWSFVHQWXXIP-SFHVURJKSA-N 379.482 0.529 0 40 GCAB COc1ccccc1OCC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904635 GWUSGKRLPVTDRW-UHFFFAOYSA-N 395.423 0.794 0 40 GCAB CC(C)N1CCC(O)(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 532375506 XQUFQKBABUSFNX-NRFANRHFSA-N 375.513 0.975 0 40 GCAB CN(C)[C@@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)c1cccc(F)c1 558347173 OCGCDZLSLHZDOF-HNNXBMFYSA-N 387.477 0.667 0 40 GCAB CC(C)c1ccc(S(=O)(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575421367 PJISQFJRSMJWFG-KBPBESRZSA-N 391.467 0.043 0 40 GCAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C[C@H](Cn3cnnc3)CO2)C1 1565547459 JGLUKVCMCKLVAU-RDTXWAMCSA-N 375.404 0.689 0 40 GCAB Cn1c(=O)c2[nH]c(N3CCN(C(=S)Nc4ccccc4)CC3)nc2n(C)c1=O 4818394 XSCDXHCYSLLOGF-UHFFFAOYSA-N 399.480 0.479 0 40 GCAB Cn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 12850157 GZLYACFFLWPZQZ-UHFFFAOYSA-N 392.437 0.110 0 40 GCAB O=C1O[C@H](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 12995991 HYHVNTAAFWCEQC-CZUORRHYSA-N 378.450 0.620 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3CCOCC3)CC2)cc1 16427371 ZBSGOMNRYTVALO-UHFFFAOYSA-N 381.498 0.550 0 40 GCAB COCCNC(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(C)cc23)CC1 20723864 QZNBRLUPVGAJNI-LJQANCHMSA-N 388.468 0.982 0 40 GCAB Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n1 96124126 HAPHEVOXRAYFIO-MRXNPFEDSA-N 395.471 0.903 0 40 GCAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 97012947 AOEAYYNOQGXIKN-GFCCVEGCSA-N 376.442 0.590 0 40 GCAB Cc1noc(C)c1NC(=O)N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O 225503808 DGJVGNPNRZKFLO-BHTHQVBYSA-N 376.417 0.692 0 40 GCAB biogenic,in-vitro O=C1CN(CC(=O)N2CCC[C@@](O)(CN3CCC(F)(F)CC3)CC2)C(=O)N1 257287467 PQCILRSJDCXSSZ-INIZCTEOSA-N 388.415 0.013 0 40 GCAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N2CCOCC2)cc1 390829375 DWVBOZQKRLMOIR-MRXNPFEDSA-N 393.451 0.970 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cnn2ccc(C)cc12 534303878 NAJAQHNPYXHDNU-CYBMUJFWSA-N 378.454 0.408 0 40 GCAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2CC2)CC3)C1=O 2055718056 YSBKNSBHNQUTSK-SFHVURJKSA-N 383.514 0.519 0 40 GCAB CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 4355596 ORPWHDPCKJWVIC-AVGNSLFASA-N 384.477 0.517 0 40 GCAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 5461089 ZURCZVYKBKHSOA-AWEZNQCLSA-N 399.451 0.772 0 40 GCAB C/C=C/Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3CC(N)=O)n(C)c1=O 10357052 CPHBAUQOHWZLPP-VOTSOKGWSA-N 387.444 0.180 0 40 GCAB O=C(CN1C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc21)N1CCOCC1 12113143 MJGZXEWQWSRSBS-OAHLLOKOSA-N 393.465 0.435 0 40 GCAB Nc1nc(N)nc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 14230114 XXBIXXOPJKZZLN-UHFFFAOYSA-N 381.437 0.072 0 40 GCAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)c2ccccc2O1 14247153 COYRXSLVKGMLRW-OAHLLOKOSA-N 375.406 0.488 0 40 GCAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 20046377 UNQVJXJIPMXJDI-UHFFFAOYSA-N 387.477 0.675 0 40 GCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1 20768877 HMQDKUVKEVOTRS-UHFFFAOYSA-N 375.450 0.870 0 40 GCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1-n1ccnc1 29022508 BWSHDUAHBZBJLE-UHFFFAOYSA-N 376.376 0.587 0 40 GCAB CCOc1ccc(/C=C/C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cc1OC 31650234 SBLLRFSNMPJHLB-IZPAUZPXSA-N 376.409 0.997 0 40 GCAB CN(C(=O)COC(=O)c1cccnc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 32823831 QRISCPBVWRHFTD-ZDUSSCGKSA-N 381.454 0.484 0 40 GCAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CN(C)CCN21 61957595 JOCOYLIMCONCBM-MRXNPFEDSA-N 399.451 0.358 0 40 GCAB COc1cccc([C@@H]2C[C@H](C(=O)N3CCN(C)CC3)N(C)S(=O)(=O)N2)c1 72334999 WDDNQMABZDOAIL-JKSUJKDBSA-N 382.486 0.049 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 72335112 WVZPWIGGXDHXIR-CABCVRRESA-N 379.442 0.652 0 40 GCAB CCc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c(=O)[nH]1 95355213 OVFAGTQPWFTZLE-QWHCGFSZSA-N 382.486 0.066 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238838400 HGRDXAKBSLOTFS-OKILXGFUSA-N 378.454 0.361 0 40 GCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1 238881319 PIEFNWUHYQFRPS-UHFFFAOYSA-N 387.421 0.615 0 40 GCAB CN(CCO)[C@H]1[C@H](NC(=O)c2cnn(C)c2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257281380 OOXPGPZPTIMGLB-BDXSIMOUSA-N 392.431 0.163 0 40 GCAB Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 585108701 DBJOEFGDJNEAJI-KZNAEPCWSA-N 383.452 0.823 0 40 GCAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 643971864 FBLMVSCJMUQFBP-INIZCTEOSA-N 383.426 0.131 0 40 GCAB Cn1c(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc2c1c(O)nc(=O)n2C 677511824 XQPKLGTVQTXDSS-JOYOIKCWSA-N 377.351 0.963 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)c3ncnc(C)c3C)CC2)CN1S(C)(=O)=O 1565542562 APGQOEGXBBAEKE-OAHLLOKOSA-N 396.513 0.996 0 40 GCAB Cc1ncnc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)c1F 1776009611 MEKFTNXYNAVSDK-AWEZNQCLSA-N 391.447 0.600 0 40 GCAB CCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2733105 OHHCBVHYCNYPFJ-OAHLLOKOSA-N 385.534 0.587 0 40 GCAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CC2)c1 4357629 FPTDJLUJGOZOGA-MRXNPFEDSA-N 395.481 0.435 0 40 GCAB COCCOC(=O)C1=C(C)NC(=O)[C@]12C(C(=O)OC)=C(N)Oc1ccccc12 4517070 MXWFJMVDHJCSLN-IBGZPJMESA-N 388.376 0.254 0 40 GCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)cc1 4727364 XXPQPLALOMRYEG-LBPRGKRZSA-N 395.462 0.738 0 40 GCAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 4944021 RNJJKGNRJCSIIN-CQSZACIVSA-N 386.470 0.546 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1 6077332 OIRWYQZBUYQXFO-NSHDSACASA-N 390.845 0.409 0 40 GCAB O=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)NCc1cccnc1 8627179 OTAPINNUEWCBJA-OGWHTMIXSA-N 385.420 0.007 0 40 GCAB biogenic,in-vitro CC(C)N(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)O 11693980 PFWDNSQAJZFDHR-UHFFFAOYSA-N 385.424 0.933 0 40 GCAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12516136 RUIZEDNNGPMXET-DMDPSCGWSA-N 381.454 0.852 0 40 GCAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CC[C@H]1NC(=O)NC1=O 12899338 CZIGAZZPYDBDMS-LLVKDONJSA-N 397.229 0.800 0 40 GCAB COCCN(C(=O)c1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14721420 HRBNDPHXPDCAHF-UHFFFAOYSA-N 379.417 0.673 0 40 GCAB COc1cc(CN2CCC(N3CCN(CCO)CC3)CC2)cc(OC)c1O 20064661 XAHIOXUPRRFQEP-UHFFFAOYSA-N 379.501 0.984 0 40 GCAB O[C@H](COCc1ccco1)CN1CCN(C[C@H](O)COCc2ccco2)CC1 25480319 WXKLDSNYXJUAKV-ROUUACIJSA-N 394.468 0.945 0 40 GCAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCN2CCOCC2)cc1 28209677 SYLPMDSOAYIIHC-MRXNPFEDSA-N 395.481 0.123 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2Br)nn1 32816387 DJUWGJVGNGRMKI-VIFPVBQESA-N 385.243 0.947 0 40 GCAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]cn1 36589887 QIFAPUBHIVMSAB-CYBMUJFWSA-N 385.380 0.512 0 40 GCAB CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO 72321309 YCWVSXDIXRBHBJ-VQIMIIECSA-N 389.452 0.774 0 40 GCAB biogenic,in-vitro C[C@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nc2ccccc2n1 72341023 PCPPCLALOLBGFY-LLVKDONJSA-N 384.425 0.613 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCn3c(nn(C)c3=O)C2)cc1Br 95976736 IATJFWBELGJUSW-UHFFFAOYSA-N 387.259 0.857 0 40 GCAB CCNc1nc(N2CCOCC2)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100165719 PGROLJSRXMNGFW-GJZGRUSLSA-N 397.483 0.925 0 40 GCAB Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1 225520233 ATINJUCEMRXCLY-AFJOWOCMSA-N 392.500 0.635 0 40 GCAB biogenic,in-vitro CCn1nc(C)c(S(=O)(=O)NCCn2c(O)nc3ccsc3c2=O)c1C 238899004 RHPSSGFTDWSWFX-UHFFFAOYSA-N 397.482 0.975 0 40 GCAB CC(C)(CNS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc2c(c1)OCO2 572360964 UWVAEJBJKXKMBP-UHFFFAOYSA-N 381.410 0.953 0 40 GCAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)Cc1ccc(NC(N)=O)cc1 585138737 PFDUJTKFXDPKAJ-UHFFFAOYSA-N 376.413 0.501 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1 671529741 KFIJEUTYWVZHEV-HZPDHXFCSA-N 394.497 0.498 0 40 GCAB CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)CC1 1615188461 CVWDUILERDYMFM-FPOVZHCZSA-N 392.496 0.545 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2csc(C)n2)CC1 2055745821 DWRNJKJALQBGLL-UHFFFAOYSA-N 392.529 0.816 0 40 GCAB CC(=O)c1cc(C(=O)N2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)n[nH]1 2055750989 VGDUTPUMJQZXOS-LBPRGKRZSA-N 375.433 0.059 0 40 GCAB COc1cccc(NC(=O)CN2CCO[C@@H](C(=O)N3CCSCC3)C2)c1 2086868786 IXEZDRDJVKKDEB-MRXNPFEDSA-N 379.482 0.910 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)CC2=O)cc1 4084383 YFEZOAPEIMTQOE-SDDRHHMPSA-N 377.397 0.142 0 40 GCAB biogenic O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)N[C@@H]1CCS(=O)(=O)C1 6321938 YPAAHCVXUMTJCB-GDBMZVCRSA-N 397.449 0.705 0 40 GCAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1 7268283 MPFYNQPTBHRIKG-UHFFFAOYSA-N 386.456 0.770 0 40 GCAB CCOC(=O)[C@@H]1CN(C(=O)CCCN)C[C@]12COc1ccccc1C(=O)N2 12123242 IWKGWJSWLGXIID-LIRRHRJNSA-N 375.425 0.308 0 40 GCAB O=C1CN(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c2ccccc2N1 12644056 WAZIJJNKFGATOY-STQMWFEESA-N 397.387 0.466 0 40 GCAB CNC(=O)CSc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 16839538 LXQQPQYEODGABS-UHFFFAOYSA-N 387.465 0.629 0 40 GCAB CN1CCN(c2nc(O)cc(CNC(=O)[C@@H]3OCCc4ccccc43)n2)CC1 19590110 JJRZREBWOLZBDW-GOSISDBHSA-N 383.452 0.864 0 40 GCAB CCCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)n[nH]c1=O 32950586 HMFWZJFWBIBODN-NSHDSACASA-N 376.504 0.499 0 40 GCAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 33330782 VHTXFXXQWCIUMR-VIFPVBQESA-N 380.426 0.701 0 40 GCAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1 70641321 XBHKTVVSVPAVRF-KRWDZBQOSA-N 397.431 0.992 0 40 GCAB CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccnc(N(C)C)n3)cnc21 95463228 VJZBWYSWQBDLPZ-UHFFFAOYSA-N 397.439 0.671 0 40 GCAB Cn1ccc(CC(=O)N2Cc3nnn(C)c3[C@H](COCCN3CCCC3)C2)n1 585110831 LZYUXAMZUZJCKV-HNNXBMFYSA-N 387.488 0.330 0 40 GCAB Cc1nc(-c2ccc(S(=O)(=O)NCCN3CCCS3(=O)=O)cc2)co1 605003453 OJGBYIHARMKDRT-UHFFFAOYSA-N 385.467 0.964 0 40 GCAB O=C(NC[C@H]1CCCNC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 646004194 YVYVRYQBGWXPSR-OAHLLOKOSA-N 379.482 0.730 0 40 GCAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)CNC(=O)c2ncccc2O)C[C@@H](C)O1 1625754825 BMSRGKFGGLPSBN-ZNMIVQPWSA-N 376.457 0.617 0 40 GCAB Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 2243085 HKTWHHAJDJCUPC-UHFFFAOYSA-N 383.381 0.162 0 40 GCAB COC(=O)NCCc1cc(OC)c(OC)cc1S(=O)(=O)N1CCOCC1 4727399 KGJUOPGZHWLRCN-UHFFFAOYSA-N 388.442 0.623 0 40 GCAB CCS[C@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 4963019 SZULVJAZHGQZQY-OLMNGRFOSA-N 391.442 0.396 0 40 GCAB COC(=O)[C@H]([C@@H]1N[C@@H](C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O 5081568 CFLMGIZSXQYPJM-SDDRHHMPSA-N 378.406 0.719 0 40 GCAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1cccc(F)c1 6931541 BJNJENIQTAAPED-UHFFFAOYSA-N 394.428 0.982 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 7216644 IXVKQSCKCIDMRR-KUCQQTCKSA-N 386.495 0.612 0 40 GCAB Cc1cccc(N(CCCC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 8492747 DMZKOGAVLMURRI-UHFFFAOYSA-N 383.514 0.990 0 40 GCAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 15031678 OMVRHGWGRIABKS-GFCCVEGCSA-N 385.424 0.628 0 40 GCAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 16021706 ZVLMXTDFRSMHLB-CPUCHLNUSA-N 389.452 0.848 0 40 GCAB Cc1cc(NC(=O)[C@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)no1 16761188 DQPQEWMTHAEEDA-AWEZNQCLSA-N 394.391 0.958 0 40 GCAB O=C(NCCNC(=O)c1ccco1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 22901763 BEGFKOSTCUZDQE-UHFFFAOYSA-N 380.426 0.552 0 40 GCAB Cc1ccc(N2CCC(CNC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)nn1 70929929 UWNAARKPXAEHQE-UHFFFAOYSA-N 395.529 0.789 0 40 GCAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 105677361 JBLTYRKOLSLPOV-ZWKOTPCHSA-N 395.525 0.818 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)C1=O 244909729 ASYXRUNACINTFG-OAHLLOKOSA-N 399.450 0.984 0 40 GCAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 644404208 CZZDXAHDPKIDJP-BEFAXECRSA-N 392.504 0.404 0 40 GCAB CN(C[C@@H]1COCCO1)c1nc2c(c(N(C)C[C@H]3COCCO3)n1)SCC2 664340386 LVAFBCJAFZHUAO-UONOGXRCSA-N 396.513 0.828 0 40 GCAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCO[C@@]2(CCOC2)C1 1116623458 YFIUBZUZHGHBLZ-SFHVURJKSA-N 393.465 0.599 0 40 GCAB COc1ncc(S(=O)(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@H]32)cc1Cl 1615590152 KDQKBAGWMAVAKH-AGIUHOORSA-N 389.861 0.752 0 40 GCAB Cc1oncc1S(=O)(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 1772594661 GPCOIJPUZHKONP-CYBMUJFWSA-N 392.437 0.689 0 40 GCAB Cc1cccnc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)[C@@](C)(O)CO2 2037849737 BBLBMFROLYKPFO-IRXDYDNUSA-N 383.514 0.814 0 40 GCAB COC(=O)COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl 810125 WRYZBNGLHWEJQF-UHFFFAOYSA-N 390.845 0.778 0 40 GCAB CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O 4354367 MZKJRCQSMFAOCW-QWHCGFSZSA-N 384.477 0.518 0 40 GCAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NC1CC1 4357546 QBLDPKIZNVBROC-OAHLLOKOSA-N 399.444 0.266 0 40 GCAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC[C@H]1COc2ccccc2O1 7049164 MCSZGRGSIYADMC-ZDUSSCGKSA-N 387.392 0.676 0 40 GCAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 12239581 NLLHHEHAIOTBQE-DZGCQCFKSA-N 389.481 0.971 0 40 GCAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCN(C(=O)c2cccs2)CC1 12921826 CYJVPCBIVOSBTB-UHFFFAOYSA-N 398.448 0.475 0 40 GCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(CCc2ccccc2)CC1 16849974 BXSPWESDZLIZNM-UHFFFAOYSA-N 393.509 0.716 0 40 GCAB Cc1nn(C)c(C)c1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 29779385 BDYDMHYNQQMVLQ-UHFFFAOYSA-N 379.398 0.231 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccnc2-n2cncn2)o1 48236109 XMIFDJYYXQLMNW-UHFFFAOYSA-N 376.398 0.436 0 40 GCAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1cccnc1-n1cncn1 48309015 YJSLTXBDYAMPFR-UHFFFAOYSA-N 377.386 0.041 0 40 GCAB O=C(NCc1ccncc1)[C@@H]1CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 97133781 LNTQHBQATBVFHB-HNNXBMFYSA-N 389.433 0.932 0 40 GCAB CN1C[C@@]2(CO)C(O)[C@](CO)(C1)[C@@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 104271351 QTBLVKOQTUDXKG-QCFAMHMHSA-N 384.480 0.468 0 40 GCAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1 224499473 GEXDGNPRAPTLBK-UHFFFAOYSA-N 391.449 0.911 0 40 GCAB O=C(O)CC1(CC(=O)N2C[C@H](O)[C@@H](n3cc(Cl)c(O)nc3=O)C2)CCCC1 257240878 HVNJZTTVRWILSY-RYUDHWBXSA-N 399.831 0.772 0 40 GCAB COc1ccc2nnc(CCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)n2n1 524731522 AQZVQVVHWZWIOX-QLFBSQMISA-N 398.467 0.925 0 40 GCAB biogenic O=C(Cn1cnc2c(c1=O)CCNCC2)NCCc1cccc2cccnc12 567809255 NDKVYVQDJGWCNX-UHFFFAOYSA-N 377.448 0.839 0 40 GCAB CCN1CCN(C(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)C(=O)C1=O 618255127 LVWUYYWXQDPTRT-ZDUSSCGKSA-N 383.408 0.894 0 40 GCAB COc1ccccc1NC(=O)CN1CCO[C@H](C(=O)N2CCSCC2)C1 2086881953 KEMFPUICEVSQBF-INIZCTEOSA-N 379.482 0.910 0 40 GCAB COc1cccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 4583723 CRIPAULSGLTHCO-UHFFFAOYSA-N 377.422 0.640 0 40 GCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 6989096 HMZIKZRSDCPRRQ-GFCCVEGCSA-N 398.462 0.009 0 40 GCAB COc1ccc2nc(SCC(=O)N3CCN(S(C)(=O)=O)CC3)[nH]c2c1 9154349 VFMOTECMUJXRHC-UHFFFAOYSA-N 384.483 0.767 0 40 GCAB CCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n[nH]c1=O 9313654 WYWCPLQCAVGCSF-UHFFFAOYSA-N 382.446 0.359 0 40 GCAB O=C(NCCCN1CCCC1=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342493 VTSRDVCCMNGWSY-UHFFFAOYSA-N 398.463 0.979 0 40 GCAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)c1nc(N)nc(N(C)C)n1 12541842 AIUUEWJQORLUTG-SECBINFHSA-N 380.430 0.809 0 40 GCAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12844747 IMYSWECBTBQJLP-CQSZACIVSA-N 386.449 0.352 0 40 GCAB NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 16011767 NQICCQJAXJXNTC-CCFTVXDOSA-N 396.447 0.615 0 40 GCAB CCN[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2(CCCCC2)C1 19703995 NTVVMKRLPORPIV-CYBMUJFWSA-N 384.502 0.159 0 40 GCAB Cn1c(=O)c2sc3c(c2n(CCN2CCOCC2)c1=O)COC(C)(C)C3 20591651 URZHJKNGJWEXCC-UHFFFAOYSA-N 379.482 0.945 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3nccs3)CC2)CC1 26310510 KKGOQEWNSBBLPR-UHFFFAOYSA-N 387.531 0.789 0 40 GCAB Cc1ccc(N2CCn3c2nnc(C(=O)NCCN2CCOCC2)c3=O)cc1 36662249 SYSJXMNPOYSGEP-UHFFFAOYSA-N 384.440 0.160 0 40 GCAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCCN2CCCS2(=O)=O)c1 61597804 WQLQILDTTQBOEW-UHFFFAOYSA-N 375.472 0.132 0 40 GCAB COCC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2nc3ccccc3n(C)c2=O)C1 95391895 CITGTHGXDPKZQG-HIFRSBDPSA-N 384.436 0.547 0 40 GCAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(CO)CCCC2)cc1 95451137 QODQSSQBBFZCLZ-LBPRGKRZSA-N 383.470 0.733 0 40 GCAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc(=O)n2ccsc2n1 102400580 LXUNCUKUEVODHJ-VXGBXAGGSA-N 375.406 0.974 0 40 GCAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1ncccc1=O 206802909 SRMLKCFOYNKLCQ-OCCSQVGLSA-N 375.356 0.604 0 40 GCAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257315355 VAYRUGDRKBHLPU-ROUUACIJSA-N 386.452 0.081 0 40 GCAB Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 568253237 JHXRXEXTLPAAMT-SECBINFHSA-N 388.471 0.486 0 40 GCAB COc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(N(C)C)n1 575603969 MYMFOEVINFCMCT-LLVKDONJSA-N 388.403 0.755 0 40 GCAB COc1nn(C)cc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575606463 KDWRHUCFRWHORW-UHFFFAOYSA-N 388.350 0.820 0 40 GCAB O=C(CN1CCCC[C@@H](O)C1=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 644293080 ODEWSPDWDNDLTD-MRXNPFEDSA-N 393.871 0.998 0 40 GCAB CN(C(=O)c1cc2ncccn2n1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1522942549 CUELOMCMBMIZRM-UHFFFAOYSA-N 391.391 0.899 0 40 GCAB CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1O 5085271 FZUPKYUANHOYBD-MUKCLNALSA-N 378.377 0.235 0 40 GCAB CCN(CC)CCOC(=O)CN(S(C)(=O)=O)S(=O)(=O)c1ccccc1 5469562 LINFLIYHVHVDQS-UHFFFAOYSA-N 392.499 0.522 0 40 GCAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1OC 6800356 YKUDDBYCFMHBRU-UHFFFAOYSA-N 397.453 0.454 0 40 GCAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)ccc21 8834297 KCDYKHQSOBQTFT-UHFFFAOYSA-N 390.377 0.130 0 40 GCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(N)cc(N)n1 9613537 MMFDBRSRWFQUPM-UHFFFAOYSA-N 396.498 0.931 0 40 GCAB Cc1c([C@@H]2C[C@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C 12131042 PFQOIUFLEYRMNC-DLBZAZTESA-N 391.497 0.667 0 40 GCAB Cc1ccc(=O)n(CC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)n1 19748698 YARVPVFVIPKRHP-UHFFFAOYSA-N 395.463 0.359 0 40 GCAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 25360991 HEPNQLJBABSYJE-CABCVRRESA-N 383.445 0.976 0 40 GCAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 40033863 VGBDLMCTSAYIDR-GFCCVEGCSA-N 378.454 0.703 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1 72335196 VVBAIJYMBXKBSR-CABCVRRESA-N 378.458 0.020 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCN(CCNC(=O)c2ccco2)CC1 84025675 NSQHPVCSNMDNGY-UHFFFAOYSA-N 382.442 0.621 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 96104221 OXORQLIVZKVMFP-UHFFFAOYSA-N 389.459 0.047 0 40 GCAB C[C@@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@H](c3ccccc3O1)[C@H]2C(N)=O 102449607 BWUUVSVHEFXEOT-DBPWXMBZSA-N 381.413 0.764 0 40 GCAB Cc1nn(C)c(C)c1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 225598222 OSTRHFUPISNMTH-UHFFFAOYSA-N 380.474 0.307 0 40 GCAB C[C@@H]1Oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2NC1=O 252493908 NGFPZFABZDGWKN-VIFPVBQESA-N 397.434 0.854 0 40 GCAB CSCC[C@@H](C(=O)NCc1ncn(C)n1)n1c(O)nc2ccccc2c1=O 524733804 QLOWFAVILJYBON-ZDUSSCGKSA-N 388.453 0.841 0 40 GCAB COCCn1nccc1C(=O)N1CCC[C@]2(CCN2CC(=O)N2CCCC2)C1 585102129 SSPCRZZETHJTTJ-FQEVSTJZSA-N 389.500 0.832 0 40 GCAB CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ncn(C)n2)O1 585108681 WZJDYWZBIBCNHY-OAGGEKHMSA-N 384.440 0.631 0 40 GCAB Cn1c(=O)oc2ccc(S(=O)(=O)NC3CCN(c4cnsn4)CC3)cc21 585148938 QBOJAIKNCYXNLL-UHFFFAOYSA-N 395.466 0.930 0 40 GCAB Cn1cc(CN(C(=O)c2ccc3c(c2)CCN3)[C@@H]2CCNC2)c(=O)n(C)c1=O 681940858 VXXFWSOIPJRXRG-MRXNPFEDSA-N 383.452 0.056 0 40 GCAB COC[C@H]1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)CN1S(C)(=O)=O 1565542662 SZWXUVUJVXSYJI-OAHLLOKOSA-N 397.497 0.137 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(c4ncc(Br)cn4)C[C@@H]3C2)cc1=O 1888843292 WYEOLYCCLPGXAI-UWVGGRQHSA-N 393.245 0.611 0 40 GCAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5cccnc5)C[C@H]4C3)ncnc21 1888921899 XKRNYUFSMMEHSN-ZIAGYGMSSA-N 399.480 0.998 0 40 GCAB O=C(Cn1ccnn1)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771521 DZAOZQHNXGQXPJ-AWEZNQCLSA-N 385.350 0.171 0 40 GCAB Cc1ccc(C(=O)OCC(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 3302011 JPVSEERKJKIOJJ-UHFFFAOYSA-N 384.454 0.697 0 40 GCAB CCCn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c1=O 6097987 AAQIJQYPDFVZPX-UHFFFAOYSA-N 378.458 0.822 0 40 GCAB CC1CCN(CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 6510656 QEJVMONLEOUGML-UHFFFAOYSA-N 385.468 0.862 0 40 GCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2OC(F)(F)F)n(C)c1=O 8778717 ONFISKUTDAFTFK-UHFFFAOYSA-N 397.313 0.971 0 40 GCAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC1=NCCS1 9304251 AUIQSTSZBDTOBT-UHFFFAOYSA-N 380.455 0.649 0 40 GCAB Cn1c(=O)c2cc(C(=O)N3CCOCC3)n(Cc3ccccc3)c2n(C)c1=O 11845117 IIWUVKNFGQABCX-UHFFFAOYSA-N 382.420 0.559 0 40 GCAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O 20720404 DMQGRPCUZGESDI-SNVBAGLBSA-N 388.380 0.080 0 40 GCAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)c1 20725973 QRNDLKBYCJRZQC-OAHLLOKOSA-N 382.420 0.989 0 40 GCAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3[C@H](O)[C@@]21C 22457076 HMSAIGOZLMKVAN-AHBSSGKESA-N 378.513 0.881 0 40 GCAB C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(CC(=O)NC4CC4)CC3)cc21 23675072 NGTLHGKXOQURBI-GFCCVEGCSA-N 392.481 0.327 0 40 GCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C=O)CC3)C2)cc1 26111345 OPOZLFIPPGEHRQ-HNNXBMFYSA-N 395.481 0.397 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccnc3)CC2)C[C@H](C)O1 40081199 UXDBJZKQTHWQOF-DKLOGILVSA-N 394.497 0.593 0 40 GCAB CN(C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 44901111 ZPYRMCJWAWMCTK-CQSZACIVSA-N 379.413 0.695 0 40 GCAB O=C(c1n[nH]c(=O)c2ccccc12)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331278 FTWNLAUPPDDFMT-UHFFFAOYSA-N 390.399 0.977 0 40 GCAB CC(=O)N1CCC(NC(=O)CN[C@@H](C)C2(N3CCOCC3)CCCC2)CC1 95941425 BFYQNYQOCLQKDL-INIZCTEOSA-N 380.533 0.737 0 40 GCAB O=C(c1ccccc1-c1cncnc1)N1CC(S(=O)(=O)N2CCOCC2)C1 95999320 OQLPAYFJBHHUOY-UHFFFAOYSA-N 388.449 0.630 0 40 GCAB Cc1cc(N2CCC[C@@H](N3CCN(C(=O)N4CCOCC4)CC3)C2=O)n(C)n1 96002599 WVGNACSHGAEICP-MRXNPFEDSA-N 390.488 0.294 0 40 GCAB CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@]2(c2ccccc2)C1 96083396 FNDURJOUAYTPMD-WMLDXEAASA-N 375.454 0.480 0 40 GCAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CC[C@@H](N2C(=O)COC2=O)C1 225700677 HAXNNZPGUNBUPZ-LLVKDONJSA-N 399.400 0.074 0 40 GCAB CN(C)C(=O)c1ccc(=O)n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c1 257250228 JLQXQLIMTIIFEJ-FQEVSTJZSA-N 398.507 0.729 0 40 GCAB N=c1[nH]c2nc(CN3CCOc4cccc(Br)c4C3)cc(=O)n2[nH]1 621312921 LZBVBLUQFRBVSL-UHFFFAOYSA-N 391.229 0.987 0 40 GCAB CO[C@](C)(C(=O)O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 663073255 PLXCVKSESZQQDQ-KUHUBIRLSA-N 378.425 0.923 0 40 GCAB Cc1noc(CC(=O)N2CCC3(CC2)CO[C@H](COCC(=O)N(C)C)C3)n1 1614940875 SEYKYVXQXRQLPC-AWEZNQCLSA-N 380.445 0.423 0 40 GCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O 4249260 SQWYDZDSCUTEBD-UHFFFAOYSA-N 387.396 0.463 0 40 GCAB CCOC(=O)CCn1c(=O)c2c(nc3n(CCCOC)c(C)cn23)n(C)c1=O 4251099 FWLINGJVCZGRDI-UHFFFAOYSA-N 391.428 0.448 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 5051273 MLGQBKYRTAGSPE-CJXOWJITSA-N 389.433 0.470 0 40 GCAB NC(=O)c1nn(CC(=O)NC[C@@H]2COc3ccccc3O2)c(=O)c2ccccc12 7989161 GTCAELJSHNXEJU-GFCCVEGCSA-N 394.387 0.452 0 40 GCAB C[C@@H](NC(=O)[C@H]1CCCN1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12219639 XTMNCZUZDKFPGW-NVXWUHKLSA-N 399.495 0.647 0 40 GCAB C[C@@H]1Oc2ccc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2NC1=O 12821633 WFGJQXMDENXAFY-VIFPVBQESA-N 395.375 0.604 0 40 GCAB CCN1CCN(C2=N[C@H](CC(=O)Nc3ccc(NC(C)=O)cc3)C(=O)N2)CC1 13726709 DQDKJZACMAZKFM-MRXNPFEDSA-N 386.456 0.466 0 40 GCAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(C(C)=O)cc1)c(=O)n2C 15880337 JCHONRVHTGSPMJ-UHFFFAOYSA-N 382.376 0.945 0 40 GCAB O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CN1CCc1ccccc1 16698920 VJEHJWURFRLBFQ-MOPGFXCFSA-N 399.491 0.927 0 40 GCAB CCNC(=O)COc1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 23136583 YGLPQGVPZVCSGP-UHFFFAOYSA-N 396.403 0.843 0 40 GCAB Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 31900982 KZWBJNAXDGOSTE-STQMWFEESA-N 386.518 0.525 0 40 GCAB O=C(CCc1nc2ccccc2[nH]1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 32693875 WKGBHXXWFVJHHT-LBPRGKRZSA-N 378.454 0.305 0 40 GCAB O=C(CCc1ccccc1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 78933966 ZJWWHDFMAARIMQ-UHFFFAOYSA-N 379.438 0.987 0 40 GCAB NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2O1 79107457 KLOWICFELLWJIY-FUHWJXTLSA-N 381.432 0.709 0 40 GCAB O=C(CS(=O)(=O)NC[C@@H]1CCCO1)NCCc1nc2c(s1)CCCC2 89819215 RMLSQVVCHHGYEA-LBPRGKRZSA-N 387.527 0.779 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 95474518 YUESLJJXODEIHU-UHFFFAOYSA-N 379.438 0.270 0 40 GCAB O=C(c1ccc(-n2ccnc2)nc1)N1CC(S(=O)(=O)NC2CCCC2)C1 96005423 OTMJVZBIIOHNJY-UHFFFAOYSA-N 375.454 0.954 0 40 GCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 97013977 YTLATVFEOFRILA-LBPRGKRZSA-N 390.469 0.844 0 40 GCAB COc1ccnc(N2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)c1 104518659 UXYGYHOSQDRBHB-UHFFFAOYSA-N 379.424 0.957 0 40 GCAB CCS[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 106382754 YPNFVZQPWZMHIF-QMHWVQJVSA-N 392.426 0.823 0 40 GCAB CC1CCC(NC[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)CC1 225512346 GMWXJJGRSWZOQW-NVENNRNVSA-N 382.501 0.689 0 40 GCAB biogenic,in-vitro CN1CCN(C[C@]2(O)CCCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 257233310 GOROSRMYIWTQTA-NRFANRHFSA-N 388.512 0.407 0 40 GCAB COc1ncccc1CN1CC[C@]2(CCn3c2nnc(-c2nccn2C)c3=O)C1 306132822 LTEUIFLOLRUUBO-FQEVSTJZSA-N 393.451 0.990 0 40 GCAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 647927277 HZCUCGKJYSKVJA-INIZCTEOSA-N 386.401 0.965 0 40 GCAB CCOC(=O)[C@](NC(C)=O)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F 2050625 GKZSWWHNNZBILW-LBPRGKRZSA-N 383.348 0.704 0 40 GCAB CCN(CC)CCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1 3906605 PGRMHAPUVITXCQ-UHFFFAOYSA-N 376.457 0.798 0 40 GCAB COc1ccccc1NC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1C 4570982 NZLPHNYXJTUJRN-UHFFFAOYSA-N 389.437 0.710 0 40 GCAB Cc1cccc(C)c1NC(=O)CSc1nnc(CCC(=O)O)c(=O)n1N 4854800 KRHAZYLMNIHZTR-UHFFFAOYSA-N 377.426 0.717 0 40 GCAB CCOC(=O)N1CCN(S(=O)(=O)CCNC(=O)c2ccc(OC)cc2)CC1 4940950 DKQIZZPZWONAIQ-UHFFFAOYSA-N 399.469 0.529 0 40 GCAB C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CCC(N)=O)C(=O)O 6602857 ZEGUMFFADBKMSG-MYBVVQOTSA-N 379.457 0.398 0 40 GCAB O=C1CCC(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)=NN1 7141276 HTMLLVYFELJVBU-UHFFFAOYSA-N 376.394 0.963 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C(N)=O 12983143 NGRWESBLYATBAV-UHFFFAOYSA-N 394.453 0.434 0 40 GCAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 13023821 DRPRJARMCTZJSO-UHFFFAOYSA-N 395.525 0.926 0 40 GCAB CC(C)c1nnc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)s1 18233100 QHMBOUYLIOFYFR-UHFFFAOYSA-N 377.430 0.437 0 40 GCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 20745536 FQSQUBXYRKGHGS-UHFFFAOYSA-N 398.485 0.221 0 40 GCAB COc1ccc(N2C[C@H](NC(=O)N3CCN(CCO)CC3)CC2=O)cc1OC 22808114 BDMOOJDXYLVWOJ-CQSZACIVSA-N 392.456 0.129 0 40 GCAB Cc1nnc(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)n(N)c1=O 32745145 VXQDFUZBBUIZHZ-LLVKDONJSA-N 377.426 0.051 0 40 GCAB C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 32929923 CSVFALRLWXDRMK-ZDUSSCGKSA-N 393.465 0.046 0 40 GCAB CCS(=O)(=O)N(C)CCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O 32930004 KCYZIWPSUPAHKC-UHFFFAOYSA-N 383.426 0.148 0 40 GCAB CCOC(=O)C1CCN(C(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)CC1 32950625 PTRGHMUCMCDFQS-CYBMUJFWSA-N 398.485 0.644 0 40 GCAB Cc1ccc2ncn(CC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)c(=O)c2c1 40116982 FRLAYQWXACYTCF-QGZVFWFLSA-N 378.388 0.984 0 40 GCAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 48261443 LOSQNDIUZDBWFH-GFCCVEGCSA-N 379.438 0.764 0 40 GCAB COc1cc2nc(C)n(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c2cc1OC 72405032 ZSWZGIKRPYQEPB-LLVKDONJSA-N 395.437 0.025 0 40 GCAB Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)C2=O)n(C)n1 89591789 FLPAKLOMKMSFJG-DOMZBBRYSA-N 395.419 0.635 0 40 GCAB COc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)n(C)c2cc1OC 96117728 REJXEXAKCVHETO-UHFFFAOYSA-N 381.454 0.913 0 40 GCAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 257262002 LJQDPYYUVLTUGX-MRXNPFEDSA-N 381.498 0.300 0 40 GCAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCCN1CCOCC1 408622613 PPBNLLIJCVVBLM-UHFFFAOYSA-N 383.514 0.329 0 40 GCAB NS(=O)(=O)c1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cc1 575610113 SOFQEQDVGJKXQD-UHFFFAOYSA-N 399.436 0.385 0 40 GCAB COc1ccccc1S(=O)(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 585148439 XCXQNQZUOGBABG-UHFFFAOYSA-N 391.515 0.492 0 40 GCAB Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)cc1 649461398 YKOBUFFNTAJBAF-HZPDHXFCSA-N 395.481 0.138 0 40 GCAB CN1CCC(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)(N2CCCCC2)CC1 659399385 PKMARRLKLXFSNL-OXQOHEQNSA-N 394.516 0.679 0 40 GCAB COC1(CNS(=O)(=O)Cc2cccc(C)c2)CCN(S(C)(=O)=O)CC1 1889217646 CSVHIKXMLFDDHR-UHFFFAOYSA-N 390.527 0.855 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ccsc1=N 6449888 YJARBSLNSYVLOL-UHFFFAOYSA-N 396.494 0.997 0 40 GCAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)O 6659083 XXGLEDWUWLKZKI-QFSBIZTOSA-N 393.415 0.910 0 40 GCAB CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)C[C@H](O)C4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 8234270 PUJWFVBVNFXCHZ-SQEQANQOSA-N 376.405 0.074 0 40 GCAB biogenic,in-vitro CCOc1c(CC)cnc2c1c(=O)n(CC(=O)NC[C@H]1CCCO1)c(=O)n2C 9571766 XFZXMPDCYUQUMO-CYBMUJFWSA-N 390.440 0.352 0 40 GCAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 12747968 GMYSGOKKVSEGQL-UHFFFAOYSA-N 390.465 0.579 0 40 GCAB CCN1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)N2)CC1 14606957 WOJLTIZHKBBLLA-AWEZNQCLSA-N 387.440 0.278 0 40 GCAB CC1CCN(c2nc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 19497051 DAMDQJBOKLSJLY-ZDUSSCGKSA-N 382.486 0.447 0 40 GCAB CNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc(C)c1C 22281599 IBZBQVASNYOWRO-UHFFFAOYSA-N 394.453 0.026 0 40 GCAB Cn1c(=O)c2c(nc(N)n2C[C@@H](O)COc2ccc3ccccc3c2)n(C)c1=O 23115298 CDFCGJMKZMREKR-CQSZACIVSA-N 395.419 0.609 0 40 GCAB CN(Cc1cnn(C)c1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 24475180 BDYOLRKILMQTFY-UHFFFAOYSA-N 393.469 0.176 0 40 GCAB O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 30853709 QYXXDYGVQKIBFS-UHFFFAOYSA-N 381.498 0.674 0 40 GCAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 32902389 WQNKRLKXDAYHNU-KRWDZBQOSA-N 393.469 0.071 0 40 GCAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(CC(=O)N(C)C)CC1 40017903 CCXZTGRDSMIKGG-CQSZACIVSA-N 384.488 0.964 0 40 GCAB CC(=O)N[C@H](C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)C1CCCC1 49014672 AUVZAJFLJVMKGF-KRWDZBQOSA-N 375.473 0.836 0 40 GCAB CS(=O)(=O)N1CCN(Cn2ncn(CCc3ccccn3)c2=S)CC1 69974800 ZLHFDTNVAZWVBJ-UHFFFAOYSA-N 382.515 0.586 0 40 GCAB CC(=O)NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 72278772 NYVJNVRIRSMFIA-UHFFFAOYSA-N 391.449 0.740 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 72335171 UKMFUUHRFLSSCR-ZIAGYGMSSA-N 383.499 0.686 0 40 GCAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCOCCN(C)C 95465568 XGRXGLKRVCSOTL-LBPRGKRZSA-N 377.894 0.701 0 40 GCAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCN1CCOCC1)C=C2 96230929 GKDIPNMRRCJODW-UHFFFAOYSA-N 389.452 0.508 0 40 GCAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NC1CCCC1 98213177 TZEYWKAVZKBPID-UHFFFAOYSA-N 387.415 0.899 0 40 GCAB COC(=O)Cn1/c(=N\C(=O)CN(C)S(C)(=O)=O)sc2c(C)cc(C)cc21 100877924 NRTQJTBUYCHGNP-WUKNDPDISA-N 399.494 0.811 0 40 GCAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCn1cccc1 524733813 RWZWDYBXONRMBM-AWEZNQCLSA-N 384.392 0.844 0 40 GCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 575425672 GJTFDVAEOOWMRR-LBPRGKRZSA-N 376.456 0.348 0 40 GCAB COc1cc(=O)n(C)cc1C(=O)N(C)C1CN(c2ccc3nnc(C)n3n2)C1 585607159 MEDFGXQZLKCNSG-UHFFFAOYSA-N 383.412 0.101 0 40 GCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cc2ccccc2n(C)c1=O 661224339 MWCKNSWMVBHKHN-DZGCQCFKSA-N 379.438 0.150 0 40 GCAB C[C@@H]1CN(C(=O)CN2CCN(c3nccc(N4CCCC4)n3)CC2)C[C@@H](C)O1 2086889259 WURVJAPTYYADLD-IAGOWNOFSA-N 388.516 0.835 0 40 GCAB CN(C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 2640323 GAPRWBZWIZOQDI-MASHWEEQSA-N 381.406 0.617 0 40 GCAB COC(=O)c1cc(NC(=O)CSc2nc(N)cc(N)n2)cc(C(=O)OC)c1 3442961 ZJUDBYMSKHZTMK-UHFFFAOYSA-N 391.409 0.945 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)c2cccnc2OCC)c(=O)[nH]c1=O 6375937 WXAIZGVEBWPVPU-UHFFFAOYSA-N 391.428 0.616 0 40 GCAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC2=NCCS2)c1 7814441 JHNJLCJTGYPJRG-UHFFFAOYSA-N 398.510 0.606 0 40 GCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)NCc1ccccc1 8848703 FSFWADTYYJSRAC-UHFFFAOYSA-N 377.404 0.873 0 40 GCAB COCCn1cnc2c1c(=O)n(Cc1ccc(C(N)=O)cc1)c(=O)n2CC(C)C 10581176 QVIJVAXMEVZZLJ-UHFFFAOYSA-N 399.451 0.809 0 40 GCAB Cn1c(=O)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[nH]c1=O 19714452 HPZZSLIDOZVLKF-HNNXBMFYSA-N 392.843 0.530 0 40 GCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccccc1Cl 20567933 QTKOOJWVPAWBKO-UHFFFAOYSA-N 389.905 0.945 0 40 GCAB Cc1nc2nc(SCC(=O)N3CCN(S(C)(=O)=O)CC3)nn2c(C)c1C 40119160 UWYNMYNRQXTAJN-UHFFFAOYSA-N 398.514 0.245 0 40 GCAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 72260203 GXJQLXUDNPLVCG-UHFFFAOYSA-N 390.488 0.918 0 40 GCAB COCCCN(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 95961271 OVOVMPXTUQHPHU-LJQANCHMSA-N 376.457 0.538 0 40 GCAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cc(-n2cnnn2)ccc1Cl 532558479 MIDROITZAVXODO-UHFFFAOYSA-N 389.847 0.808 0 40 GCAB CN1C[C@H]2CN(C(=O)[C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4F)C3)C[C@H]2C1 1604870776 HWCUOXREYWADIH-KFWWJZLASA-N 385.447 0.852 0 40 GCAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccc(OC)nn5)C[C@H]4C3)ncnc21 1888914055 PVKFCAYBRUYWOO-BETUJISGSA-N 394.439 0.853 0 40 GCAB CS(=O)(=O)c1cccnc1N1CCN(c2ccc(-n3cccn3)nn2)CC1 1889151945 SCMDJOSDGLFXNX-UHFFFAOYSA-N 385.453 0.787 0 40 GCAB O=C(Cc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243039 DIHDNXGLGDQTEZ-INIZCTEOSA-N 375.450 0.520 0 40 GCAB CCNC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243112 KABPOTQBHHNREI-ZDUSSCGKSA-N 378.454 0.634 0 40 GCAB COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)n(C)c2c1 4000431 QEJMKIYMKURQCS-UWVGGRQHSA-N 377.397 0.903 0 40 GCAB biogenic C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NCC(F)(F)F)C2=O 6508087 OUPDPCRSTLNZQI-LKFCYVNXSA-N 379.335 0.709 0 40 GCAB O=C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCN1 7784045 GAQKSPOOWTYMSG-UHFFFAOYSA-N 385.873 0.699 0 40 GCAB CC(C)(C)n1nnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 8252797 GDSOGHMVGWDLHE-UHFFFAOYSA-N 380.474 0.708 0 40 GCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)NCc1ccco1 8848951 NUBZQOXWBXEDHJ-UHFFFAOYSA-N 385.355 0.605 0 40 GCAB Cn1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 9722732 AZTMGPQRJLVLOR-UHFFFAOYSA-N 377.344 0.581 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]21 12120070 BFEDNLZBCKELIV-CJNGLKHVSA-N 377.408 0.856 0 40 GCAB O=C(CCNS(=O)(=O)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 12855106 DILSQEZNYUNAQA-UHFFFAOYSA-N 394.453 0.641 0 40 GCAB O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC(=O)c1ccccc1 13074960 HMLATXSFKPWECS-HUUCEWRRSA-N 384.388 0.828 0 40 GCAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 14201068 RZBWZZJXYXHVMR-SECBINFHSA-N 376.438 0.988 0 40 GCAB O=C(O)c1ccccc1N[C@H]1SC(=O)N(CCN2C(=O)CCC2=O)C1=O 14904409 YNBBYHGXEYMRKZ-ZDUSSCGKSA-N 377.378 0.967 0 40 GCAB Cc1ccccc1CN(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 15295291 GEVBMDSWLSUVBV-SFHVURJKSA-N 379.526 0.758 0 40 GCAB C[C@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nnc2ccccc21 19080215 WAOYPCYJORSRJH-LLVKDONJSA-N 384.425 0.613 0 40 GCAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19520437 OFDFHTSAPUSPNQ-HNNXBMFYSA-N 394.497 0.941 0 40 GCAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1nnc2n1CCCCC2 19659442 JIYSFIUQRRAGOD-UHFFFAOYSA-N 388.453 0.359 0 40 GCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1ccc(Cl)cc1 22802945 XUQSTZBMDRJBIR-UHFFFAOYSA-N 378.904 0.895 0 40 GCAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NC2CCCC2)c1=O 57520484 HDEGMPRRVIROKF-UHFFFAOYSA-N 377.470 0.816 0 40 GCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1[C@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@H]14)O3)C2 72346563 PLXGPRDBKYTBFE-IHSNIMORSA-N 384.436 0.153 0 40 GCAB CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1CC 95996034 YLLSFAUQENWVCN-MRXNPFEDSA-N 377.441 0.568 0 40 GCAB O=C1C[C@H](N(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C2CC2)C(=O)N1 104111161 HQMIHZKYMMWBIB-RISCZKNCSA-N 399.403 0.217 0 40 GCAB Cc1nc(C)c(CC(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)c(O)n1 257211295 BYJNDYDAPTVWJD-LJQANCHMSA-N 378.473 0.417 0 40 GCAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)[C@@H](N)CCC(=O)O 257234682 GUQKWRNGXCOGMM-AWEZNQCLSA-N 389.456 0.316 0 40 GCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C 408617862 DSAGNGXHJUXTTJ-CYBMUJFWSA-N 397.497 0.784 0 40 GCAB COCC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1CN(C)CCN12 1772595385 RIRGWSDAIDKIBB-GOSISDBHSA-N 386.496 0.610 0 40 GCAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2ccncc2)CCO3)nc1 2056225609 SZPLRQCXJMHAEI-XLIONFOSSA-N 383.452 0.856 0 40 GCAB CCN1c2nc3ccccn3c(=O)c2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]1C 2342650 OABQLKSJXLZUJF-LLVKDONJSA-N 383.408 0.502 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O 3530428 IUGHCXMZLYQUGF-UHFFFAOYSA-N 396.197 0.468 0 40 GCAB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccccc12 4939447 JNAOMCNYZPKFLQ-IBGZPJMESA-N 384.344 0.496 0 40 GCAB O=C(COc1ccc(I)cc1)N[C@@H]1CCS(=O)(=O)C1 7034712 XZHRXDPZKCEHOB-SNVBAGLBSA-N 395.218 0.973 0 40 GCAB COc1ccc(CNC(=O)[C@H](C)SCc2nc(N)nc(N)n2)cc1OC 8704359 GRACHSPNRSKZEM-VIFPVBQESA-N 378.458 0.991 0 40 GCAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCNC(=O)C3(C)C)c(=O)n12 12181646 GFCFKVAPFKPALP-UHFFFAOYSA-N 397.435 0.703 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 12622971 LCQXYSNMOLQKLL-LLVKDONJSA-N 380.344 0.758 0 40 GCAB COCCNC(=O)c1ccc(C(F)(F)F)nc1N1CCN(CCO)CC1 19593578 HANDHASJIZRMDG-UHFFFAOYSA-N 376.379 0.591 0 40 GCAB O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCN1CCOCC1 20103288 GTDINQLNZRVMPS-UHFFFAOYSA-N 377.408 0.833 0 40 GCAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 21630968 MLHWMISRBUOWJL-VIFPVBQESA-N 386.437 0.815 0 40 GCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1O 36367117 PRNDQJGOQYIXJB-WCBMZHEXSA-N 375.834 0.859 0 40 GCAB COC(=O)CCN(C)S(=O)(=O)N(CCN1CCOCC1)c1ccccc1 72307549 DYHKMFNNAGFRQV-UHFFFAOYSA-N 385.486 0.565 0 40 GCAB Cc1nc(C2CCN(C(=O)Cn3cncn3)CC2)nc(N2CCOCC2)c1C 72337203 JPVYRJZUKIUOJA-UHFFFAOYSA-N 385.472 0.928 0 40 GCAB O=C1CCC(c2ccccc2)=NN1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 79479162 MWNSVZBPQIOOIP-KRWDZBQOSA-N 390.509 0.775 0 40 GCAB O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95474299 ODBWLBUYKZPFOO-LBPRGKRZSA-N 375.404 0.503 0 40 GCAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@@H]1CCOC1=O 102188605 RPSSPYMRIHDGCR-LLVKDONJSA-N 381.381 0.739 0 40 GCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1 225516575 MNQGQIVEWBGAKO-TVJKQAJBSA-N 399.469 0.308 0 40 GCAB biogenic,in-vitro O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)c1 575426352 RTYZQWOMYWFHSL-JTQLQIEISA-N 396.874 0.093 0 40 GCAB Cn1cc(C[C@H](NS(=O)(=O)c2cnccc2C(F)(F)F)C(=O)O)cn1 578182168 DFYXHKZVZXXMHA-JTQLQIEISA-N 378.332 0.808 0 40 GCAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCn1nc2c(cc1=O)CCC2 585150628 ZGMDOBZSLDMKDF-ZDUSSCGKSA-N 387.465 0.450 0 40 GCAB O=C(CN1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1)NCc1ccccn1 1592868998 MDHSYRLQLJUIQL-KRWDZBQOSA-N 379.424 0.951 0 40 GCAB Cc1cc(C(=O)N2CC3(C2)CS(=O)(=O)[C@@H](Cn2cc(F)cn2)CO3)no1 2332243138 LUFVMEQIDJTEGJ-LBPRGKRZSA-N 384.389 0.027 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCC(C)C)cc1 4338621 KBUHJFLSOCQWFK-MRXNPFEDSA-N 397.497 0.621 0 40 GCAB C[C@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N1CCNC1=O 7875755 PBSHUEXWZILAAI-NSHDSACASA-N 380.401 0.067 0 40 GCAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCS(=O)(=O)C1 8157203 MPGINNXOLZCJCW-CYBMUJFWSA-N 392.481 0.270 0 40 GCAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)NC[C@@H]1CCCO1 8250938 CJHAENBZRBFBSE-NEPJUHHUSA-N 388.515 0.180 0 40 GCAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(S(N)(=O)=O)cc1 9834123 ITRNQDLIEIUAOE-QGHHPUGFSA-N 394.453 0.232 0 40 GCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cscn3)C2)nn1 12184851 IYNUQPSAFQWRNV-LBPRGKRZSA-N 378.458 0.663 0 40 GCAB CCN(C(=O)CN1CCN(c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)C1 12610331 OIZNWYZIVZFEKZ-OAHLLOKOSA-N 383.489 0.983 0 40 GCAB COC(=O)CCCNC(=O)NCC1=N[C@@H]2[C@H](C=NN2c2ccccc2)C(=O)N1 13685433 MHNFIZKAJNOFQM-BBRMVZONSA-N 386.412 0.215 0 40 GCAB CN(C(=O)COC(=O)[C@@H]1CSc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 62582510 KWKADPQCZZHMJA-YPMHNXCESA-N 385.463 0.728 0 40 GCAB COc1cccc(C(=O)Nc2ccc(-n3nnn(CC(N)=O)c3=O)cc2)c1OC 77100164 RMRCKMQBCJSCAE-UHFFFAOYSA-N 398.379 0.184 0 40 GCAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cn(C)cn1 206805697 UEFGTMQJMHFWKK-WCQYABFASA-N 383.401 0.943 0 40 GCAB Cc1ncn(CC(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)c(=O)c1C 225637138 SMWKWECQGDTTOD-OAHLLOKOSA-N 384.392 0.696 0 40 GCAB COc1ccccc1-n1nnc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)c1C 238957099 YBRJSOZBPUYZJH-CYBMUJFWSA-N 380.408 0.955 0 40 GCAB Cc1ccc(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 257265773 MAFBSIQRJJHAPL-WMZOPIPTSA-N 381.498 0.794 0 40 GCAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CCN(Cc3nccs3)C1)C2 306134240 NGWGUTBFMSGZIL-KRWDZBQOSA-N 375.454 0.446 0 40 GCAB CCCS(=O)(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306135871 PDKGFLRIRCFXEF-GFCCVEGCSA-N 375.472 0.084 0 40 GCAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cnn(-c2ccccc2)n1 575414746 ZVNJGSOPDDEZEK-ZDUSSCGKSA-N 375.396 0.714 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)NCC2(O)CSCCSC2)cc1 1889036827 PRIOBGCGGPBAPV-UHFFFAOYSA-N 377.509 0.963 0 40 GCAB CCO[C@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5732087 DQHZSEKAVUOAPQ-XUWVNRHRSA-N 376.358 0.108 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3CCNC3=O)CC2)cc1 8325383 VIHRZAWFLZRKLZ-UHFFFAOYSA-N 380.470 0.243 0 40 GCAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 13570073 FWXUNTOJXKGVNP-QMMMGPOBSA-N 384.439 0.545 0 40 GCAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)CN3CCCC3=O)C1)CNC2=O 19562821 UHQUYUAGOBCIBC-FQEVSTJZSA-N 387.436 0.801 0 40 GCAB CN1C(=O)N(CC(=O)Nc2nc(CC(N)=O)cs2)C(=O)C12CCCCC2 21496073 QQQNXGHPSYKWHJ-UHFFFAOYSA-N 379.442 0.706 0 40 GCAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1N1CCN(CCO)CC1 22732837 QLMIBDKXJGQJJN-UHFFFAOYSA-N 390.415 0.663 0 40 GCAB O=C(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OCCO2 32091992 XRILQOFQZSIRMU-LBPRGKRZSA-N 383.426 0.273 0 40 GCAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)c2ccccc2)C1 40132681 PNJKOIXTYSYTCA-MRXNPFEDSA-N 381.498 0.984 0 40 GCAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC(=O)NCc2ccccc2)C1 40134182 MZJUGHPLBBWENR-INIZCTEOSA-N 381.498 0.871 0 40 GCAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 40267910 PNWIZCCARMNGGD-UHFFFAOYSA-N 385.424 0.038 0 40 GCAB COc1cccc(-c2ccc(=O)n(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)c1 44918660 DWOUGPUFFWPPOP-AWEZNQCLSA-N 391.449 0.564 0 40 GCAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1F 95461731 GNVSGFJGCGLMAR-SNVBAGLBSA-N 379.435 0.226 0 40 GCAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H]1CCS(=O)(=O)C1)C=C2 96115570 XLHBIEGUTQXRMJ-AWEZNQCLSA-N 394.449 0.363 0 40 GCAB biogenic CC(C)(C)OC(=O)N([C@H](CC(=O)O)C(=O)O[C@H]1CC(=O)NC1=O)C(C)(C)C 100499005 RJWYZHDRZJNCSZ-ZJUUUORDSA-N 386.401 0.824 0 40 GCAB Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2c[nH]c(O)n2)CCN1C 257335676 YLJGSWMQSNZQQF-HNNXBMFYSA-N 387.440 0.375 0 40 GCAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 656732911 YMLQGVSOPVHYCN-YPMHNXCESA-N 378.472 0.388 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCO[C@](C)(C(F)F)C2)C1 661182921 ZQWWCUPBJPQGJV-RISCZKNCSA-N 384.449 0.323 0 40 GCAB Cn1cnnc1SCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 1253127 FQNZUAORWUHHOS-UHFFFAOYSA-N 390.473 0.334 0 40 GCAB CS(=O)(=O)NOCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 3470075 HVIWMWNKNQQWQN-UHFFFAOYSA-N 390.771 0.763 0 40 GCAB CCCCn1c(SCC(=O)N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 4161106 WJBXBHGGHAMOJW-UHFFFAOYSA-N 395.485 0.185 0 40 GCAB Cn1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 4271546 LEGKJKDLZIIWBH-UHFFFAOYSA-N 398.872 0.248 0 40 GCAB CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1 4935670 LVDDWMLSLQUWMJ-UHFFFAOYSA-N 389.499 0.228 0 40 GCAB CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 5251894 JIRQHTFTBOWDIN-UHFFFAOYSA-N 399.407 0.922 0 40 GCAB O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCCC1=O 6889043 ZPWNVKPMMNUZCY-UHFFFAOYSA-N 383.198 0.871 0 40 GCAB Nc1cc(N)nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 6977930 LLFRAVWVSIEYNF-LLVKDONJSA-N 385.515 0.691 0 40 GCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccn3)C(=O)[C@@H]12 10004046 AOYCYMOMLKBUFN-GPINWOSQSA-N 386.360 0.343 0 40 GCAB C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 11694225 PZILQJRWMFSOJR-OLZOCXBDSA-N 383.445 0.573 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cccn3)CC2)cc1 12927006 MGIJVYNIMMYSES-AWEZNQCLSA-N 378.454 0.986 0 40 GCAB CN(C)c1nc(Cl)nc(Sc2nc(N(C)C)nc(N3CCOCC3)n2)n1 13735675 DJTBTNCCALTYLX-UHFFFAOYSA-N 397.896 0.830 0 40 GCAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CS2 15940937 SODPXAXYPJOXSX-CZUORRHYSA-N 383.495 0.447 0 40 GCAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nnc3n2CCNC3)CC1 19711267 LWIBFIKDTXWXRW-OAHLLOKOSA-N 386.500 0.878 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N(C)Cc1c(F)cccc1Cl 21842324 HVEJSRLAOMEFOE-CQSZACIVSA-N 385.823 0.801 0 40 GCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 40152094 RZSJGYCRKAEFOX-UHFFFAOYSA-N 395.419 0.306 0 40 GCAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCC[C@H]1C(N)=O)cn2CC(=O)O 40313294 OTKKJGIVEBSWSL-GOEBONIOSA-N 375.381 0.810 0 40 GCAB biogenic Cc1nn(CC(C)C)c(C)c1CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 58101462 PKQZNFVEBSHQHU-HNNXBMFYSA-N 398.529 0.508 0 40 GCAB CCN(CC)CCCNC(=O)C1CCN(C(=O)CN2CSCC2=O)CC1 72272919 OGIZQFKOBARRCD-UHFFFAOYSA-N 384.546 0.606 0 40 GCAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 226746840 WPBQNLINXQHVHF-KBPBESRZSA-N 384.440 0.947 0 40 GCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]2(CC[C@@H](CN(C)C)O2)C1 306141032 VJJVLKPTQGMCGH-RDJZCZTQSA-N 386.518 0.537 0 40 GCAB O=C(O)[C@H](C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 566358202 SZTBOCKGIGZDGJ-INIZCTEOSA-N 382.438 0.627 0 40 GCAB COCCN1C(=O)C[C@H](CNC(=O)N2CCOCC2)[C@H]1c1cnn(C)c1C 578314269 DCLDRNPUKDXITJ-PBHICJAKSA-N 379.461 0.306 0 40 GCAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)NCCN4CCNC4=O)OC[C@H]3C2)n[nH]1 1565543382 IHARYCGWZFHIJJ-OIISXLGYSA-N 390.488 0.087 0 40 GCAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@H](CNC(=O)[C@H]1CCOC1)OC2 1565556437 TZVIFCUCMOLOED-JKSUJKDBSA-N 398.463 0.944 0 40 GCAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)Cn1ccccc1=O)C2 1614940176 GNUHBVOOKLWBBK-LJQANCHMSA-N 386.477 0.860 0 40 GCAB COCC(=O)N[C@@H]1CN(Cc2nc3ccc(O)cc3o2)C[C@H]1c1nccn1C 1615553955 VEVQUOFXWQEMOF-UKRRQHHQSA-N 385.424 0.998 0 40 GCAB Cc1nc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2s1 4005187 YZLGOVHJTVAUMH-UHFFFAOYSA-N 384.421 0.991 0 40 GCAB CC(=O)N[C@@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O 4906368 CIHDSPCYFDFWRF-RMEBNNNOSA-N 380.224 0.454 0 40 GCAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 12930611 JYRHLDRIHGFYAT-INIZCTEOSA-N 382.388 0.026 0 40 GCAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 13847643 QMOZPBWJROHLFL-UHFFFAOYSA-N 392.416 0.783 0 40 GCAB C[C@H]1CCCCN1C(=O)CN1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 22933390 NXBMVOSXKKYLKT-LSDHHAIUSA-N 390.536 0.599 0 40 GCAB Cn1c(=O)c2cc(C(=O)NCc3ccc(-n4ccnc4)nc3)cnc2n(C)c1=O 33044037 XHZWUFBDXGPORG-UHFFFAOYSA-N 391.391 0.143 0 40 GCAB COCCn1nc(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)ccc1=O 49574635 BWHCOXHGVQCJNO-UHFFFAOYSA-N 395.437 0.497 0 40 GCAB CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)CNC(C)=O)CC2 96230366 XSIUSGWZLMBHEG-UHFFFAOYSA-N 387.484 0.556 0 40 GCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(OCC3CCOCC3)nc2)CC1 253401208 MPSNULDDCXUTBQ-UHFFFAOYSA-N 383.470 0.604 0 40 GCAB NC(=O)COc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O 256055759 SDYPBAUJXYYLCH-WMZJFQQLSA-N 381.211 0.325 0 40 GCAB CN1C[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 512192888 BGFJTDHLPSKNFC-BPLDGKMQSA-N 384.502 0.205 0 40 GCAB O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc(C(F)(F)F)s2)C1 572421375 MZRSWFUKEQUXIL-SSDOTTSWSA-N 386.373 0.978 0 40 GCAB COc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 575424716 WDFKMCWERABOLR-CQSZACIVSA-N 390.527 0.743 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NC[C@H](OCCO)c2cccs2)CC1 575621377 NUQCEFMVZACTEM-ZDUSSCGKSA-N 376.500 0.586 0 40 GCAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC1)CNC2=O 12226105 PPFSGVWCPJKYBI-CYBMUJFWSA-N 387.436 0.657 0 40 GCAB COc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)cc1Cl 12443269 GSTYWKRQEGEFTO-UHFFFAOYSA-N 393.787 0.924 0 40 GCAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 13729638 UIKYDJJVZCJEQT-UHFFFAOYSA-N 388.467 0.410 0 40 GCAB CCOC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 16183051 ATWBFTFYFFNXLQ-VMPITWQZSA-N 383.422 0.827 0 40 GCAB CN(C)C(=O)[C@H]1CN(CC2=CCCOC2)C[C@@]12COc1ccccc1C(=O)N2 19581099 KJTHJRLXUADDPG-DYESRHJHSA-N 385.464 0.914 0 40 GCAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 20567940 GKLFSEHUUORBPX-MRXNPFEDSA-N 383.514 0.906 0 40 GCAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 24154253 CCWIFEKJMRITRO-UHFFFAOYSA-N 398.448 0.809 0 40 GCAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCC(=O)N1CCNC1=O 24958585 GUALVGZKOPOIJQ-UHFFFAOYSA-N 389.389 0.444 0 40 GCAB NC(=O)[C@@H]1CC(C(=O)NCc2nnc3ccccn23)=NN1c1ccc(F)cc1 30556874 GBUQKOCJVUMODW-AWEZNQCLSA-N 381.371 0.605 0 40 GCAB CC(=O)NCCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 57922063 FMOOGCUVLNYWPW-UHFFFAOYSA-N 379.232 0.635 0 40 GCAB CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 58210779 ZAMYVLOLPAOUIT-AWEZNQCLSA-N 376.457 0.616 0 40 GCAB CN1C(=O)CO[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 72241372 KGYPWDFQTXTEHA-IAGOWNOFSA-N 381.860 0.687 0 40 GCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cncc(Br)c1 96025199 LEJZNYPEOHWWLC-UHFFFAOYSA-N 390.201 0.412 0 40 GCAB CCCCS(=O)(=O)N(C)CC(=O)NCc1nc(C)cc(N2CCOCC2)n1 96120932 RNDYEKOZNYKTTK-UHFFFAOYSA-N 399.517 0.300 0 40 GCAB CC(C)NC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1 226686776 KPBHLWJKJPCVJT-UHFFFAOYSA-N 389.449 0.486 0 40 GCAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCN1Cc1ccccc1 257200249 ACOPZWCKWHVSRS-INIZCTEOSA-N 391.497 0.350 0 40 GCAB Nc1nc(N)c2c(n1)OC1(CCN(C(=O)c3cccc(OCC(=O)O)c3)CC1)C2 257338100 YVVCQMARMGCYQS-UHFFFAOYSA-N 399.407 0.714 0 40 GCAB COCC(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@]2(C)CO 514289949 QVACUICTWCILKX-LPHOPBHVSA-N 395.887 0.706 0 40 GCAB biogenic,in-vitro CC1CC(C(=O)N2CCCn3c(nc(CNC(=O)c4cnn(C)c4)cc3=O)C2)C1 585110962 HYRGFJDNSVTQIL-UHFFFAOYSA-N 398.467 0.685 0 40 GCAB CN1CCCN(C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 585284548 LTJYCDUVAKNNRG-ICSRJNTNSA-N 395.931 0.844 0 40 GCAB CNC(=O)[C@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccncc1 1554394215 NHVFDRMKXRMFOI-OAHLLOKOSA-N 399.499 0.857 0 40 GCAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NCc1ccco1 5039138 CANXWHQPXWTLEG-JTQLQIEISA-N 382.394 0.797 0 40 GCAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 5361062 ZSFVYEXRNXGURW-LBPRGKRZSA-N 384.392 0.557 0 40 GCAB COc1ccc(CNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6583493 BRLRNIAHOWOCCL-UHFFFAOYSA-N 389.408 0.719 0 40 GCAB CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 6882317 ZMPSQOBSJWSLAF-QGZVFWFLSA-N 381.498 0.989 0 40 GCAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(C)=O)CC2)cc1 8116288 CYVGTBWFBGOYLS-UHFFFAOYSA-N 381.498 0.998 0 40 GCAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N(C)CC(=O)NC(C)(C)C 8744692 NOBYCLVRQFSNDA-GFCCVEGCSA-N 396.513 0.458 0 40 GCAB Cn1ncc2c(=O)n(CC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)cnc21 9958372 PDCLTTQWIBDVPY-UHFFFAOYSA-N 391.395 0.757 0 40 GCAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2cccnc2)CC1 12118869 YJJNGPYOTSVLJY-UHFFFAOYSA-N 386.437 0.943 0 40 GCAB CC(=O)Nc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12790586 ZTCISOWCAZGSQA-AWEZNQCLSA-N 392.437 0.749 0 40 GCAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13040328 NUBAYZDPXBSMER-CQSZACIVSA-N 397.497 0.679 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C)n2C)c1 23574233 ZJCHAXIRTZEIDP-UHFFFAOYSA-N 394.497 0.842 0 40 GCAB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1 28197648 ZZUMSNGHOIMHRL-UHFFFAOYSA-N 380.445 0.932 0 40 GCAB CS(=O)(=O)NC[C@@H]1CCCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 36390981 OJUVAHKERGQBBE-LBPRGKRZSA-N 384.433 0.861 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)NCCOc1ccc(-c2ccc(F)cc2)nn1 38486371 BEORPYACQNZBPZ-UHFFFAOYSA-N 399.382 0.718 0 40 GCAB C[C@H]1Cc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 39978484 DBOXSAVILMXOSS-MEDUHNTESA-N 386.495 0.704 0 40 GCAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96036805 GVPRRBYIENACTK-HNNXBMFYSA-N 396.513 0.837 0 40 GCAB Cc1ncc2c(n1)[C@H]1CN(C(=O)[C@@H]3[C@H]4C=C[C@@]5(CN(C)C(=O)[C@H]35)O4)C[C@H]1CC2 257308266 TWCRMDJSYGDGDN-MGBDLJCMSA-N 380.448 0.685 0 40 GCAB COc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)c(OC)c1 575426421 SUCMFSNSLGASPD-OAHLLOKOSA-N 392.499 0.149 0 40 GCAB COc1nc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(OC)n1 575605382 ABPFQJHCCRWADI-UHFFFAOYSA-N 376.398 0.553 0 40 GCAB Cc1cnc(CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1 654563224 AQFFFQDDHPMWOC-OAHLLOKOSA-N 383.518 0.811 0 40 GCAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 4249357 UDXQNJSPDUEUQH-LBPRGKRZSA-N 389.456 0.859 0 40 GCAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(CCOCC)c(=O)n1C 4316685 JBKDBLCZCXWQKT-ZDUSSCGKSA-N 392.460 0.727 0 40 GCAB CC(=O)N1C[C@H](N[C@H](Cc2cnc[nH]2)C(=O)O)C(c2ccc(N(C)C)cc2)=N1 6022447 JWWXOYVUAOFRDC-SJORKVTESA-N 384.440 0.696 0 40 GCAB C[C@@H](OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(=O)N1CCNC1=O 8171021 HEIUCEKYGKIJMS-SNVBAGLBSA-N 381.410 0.106 0 40 GCAB CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1 10157540 OTBXWALYXXSIJE-LSDHHAIUSA-N 388.424 0.777 0 40 GCAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1 10157547 QAHLLXMHQUEZSI-HZPDHXFCSA-N 394.435 0.615 0 40 GCAB Cc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2c1[C@H](C)CC2=O 10664585 FXKOIUGJGKJPNB-SNVBAGLBSA-N 378.406 0.850 0 40 GCAB O=C1C[C@@H]([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)Oc2ccc(F)cc21 13266600 NUVHCFQCGBGHIM-BZNIZROVSA-N 389.383 0.950 0 40 GCAB CCOc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13532649 XZELHKXUERJYCN-UHFFFAOYSA-N 397.439 0.885 0 40 GCAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 16790352 TZYLCGPSUSXFPZ-JSGCOSHPSA-N 394.449 0.662 0 40 GCAB NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20611139 DSSCUBXFHQNDJP-YEOLMYPVSA-N 382.420 0.225 0 40 GCAB biogenic Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1C 22829610 OLTGKRJFLHOSCI-UHFFFAOYSA-N 396.557 0.823 0 40 GCAB O=C(Cn1nc(O)c2ccccc2c1=O)NCc1ccc(N2CCOCC2)nc1 24193334 MGTIJEXKQVAIDK-UHFFFAOYSA-N 395.419 0.650 0 40 GCAB CN(Cc1cnn(C)c1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 24478665 BRJNKBADKMXLGH-UHFFFAOYSA-N 375.454 0.973 0 40 GCAB COc1ccc(N2C(=O)C=C(N3CCN(CC(=O)NC(C)C)CC3)C2=O)cc1 35999477 CJEAKQQPHXYRRK-UHFFFAOYSA-N 386.452 0.595 0 40 GCAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCc1ccc(F)cc1 49400018 ZWAQRZWBDYXEAS-UHFFFAOYSA-N 386.387 0.183 0 40 GCAB Cc1ccc([C@H]2[C@H](O)[C@@]3(O)[C@@H](c4ccc(C)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1 49588429 MJPRYKBMEQUDDW-BHXFFAOXSA-N 386.444 0.105 0 40 GCAB COc1ccc(C[C@@](C)(O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 90595570 AMIYJYGUNHPIMN-GOSISDBHSA-N 384.498 0.777 0 40 GCAB COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](CO)O[C@H](C)C2)cc2[nH]ccc12 517779468 ZYMZGIIJIXQHSX-PWSUYJOCSA-N 375.381 0.501 0 40 GCAB COc1ccc(S(=O)(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1C(N)=O 575605889 HWIRKEIRLDVQSY-AWEZNQCLSA-N 397.497 0.573 0 40 GCAB CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(C)(C)C)CC3)C1=O 1142774814 ZZXHNNLJZYIIMD-SFHVURJKSA-N 385.530 0.765 0 40 GCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)C[C@@H]2C1 1614927912 FHVXCBLJLAMMLZ-IAQYHMDHSA-N 390.408 0.462 0 40 GCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)C1 1342040 FDCNQIWMRJRVJR-CYBMUJFWSA-N 379.442 0.935 0 40 GCAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 4454246 JNFQVVOMHPLYQB-AWEZNQCLSA-N 399.451 0.772 0 40 GCAB C/C=C\C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 4474443 WDLWHQDACQUCJR-AGGBKSKLSA-N 389.433 0.707 0 40 GCAB fda CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O 4899604 SEQGOADLZZCJJG-ZDUSSCGKSA-N 379.413 0.439 0 40 GCAB in-vitro COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 5059479 GGCZMFUUPYNXNZ-ZDUSSCGKSA-N 386.470 0.867 0 40 GCAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCN1C(=O)CSC1=O 6315962 AQPAEUWXVBOBRW-UHFFFAOYSA-N 389.389 0.497 0 40 GCAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 12221166 FFVDGMGREAKIDW-OCCSQVGLSA-N 375.454 0.961 0 40 GCAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12924340 CJLIVEPOMMDIHT-UHFFFAOYSA-N 389.499 0.274 0 40 GCAB COc1cc(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1OC 22695030 KPVDGFCOBOZPOF-UHFFFAOYSA-N 391.468 0.678 0 40 GCAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(C)CC1 22914484 QMEZDZUNWQGYPQ-OAHLLOKOSA-N 396.513 0.282 0 40 GCAB C[C@@H]1CN(c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)C[C@@H](C)O1 58214731 OQNOEACWUNRKGU-IAGOWNOFSA-N 376.501 0.849 0 40 GCAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)N(C)C)CC1 95948724 SONQIFLYWXVCND-HNNXBMFYSA-N 380.514 0.778 0 40 GCAB CCOC(=O)[C@]12CCCN(S(=O)(=O)CC)C[C@H]1CN(CCN(C)C)C2 96055951 LXEUMGQPRJLMPN-WBVHZDCISA-N 375.535 0.475 0 40 GCAB COC(=O)CS(=O)(=O)N1C[C@H](Oc2ccccc2F)C[C@@H]1C(=O)OC 206806278 DHPNWOLNHVEZGD-ZYHUDNBSSA-N 375.374 0.323 0 40 GCAB CNC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NCc2ccc(F)cc2)N(C2CC2)C(=O)[C@H]13 231680650 ZDLFAXSVZWDOTC-OVNJDOEUSA-N 399.422 0.501 0 40 GCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 260905637 RFUYZJVCQGFMEU-UONOGXRCSA-N 383.470 0.461 0 40 GCAB Cc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)cc1C 262892833 HALPOIXSXWCBQS-HNNXBMFYSA-N 384.454 0.491 0 40 GCAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4cnc(O)nc4O)C3)ncn2)n1 390827621 ZVIZAEDJJXVZJD-UHFFFAOYSA-N 382.384 0.555 0 40 GCAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)O)C2)cc1Cl 572905688 MQAUDKPCMWOCTO-RNCFNFMXSA-N 391.829 0.973 0 40 GCAB Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 1630042474 NIAHGHQIIFQUIS-ZBFHGGJFSA-N 384.440 0.595 0 40 GCAB O=C(COc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243068 HBXLHARDOMRXKV-INIZCTEOSA-N 391.449 0.357 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O 3243371 JNMREVWGFDOVTD-UHFFFAOYSA-N 381.772 0.125 0 40 GCAB COCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4160500 ZPOVNLLVNQGTJA-UHFFFAOYSA-N 393.465 0.615 0 40 GCAB O=C(OCC(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 6461444 HTMLTWCXVOVPEM-UHFFFAOYSA-N 396.465 0.877 0 40 GCAB CCOC(=O)C1=C(COC(=O)c2ccccc2S(C)(=O)=O)NC(=O)N[C@H]1C 8344929 AOHXTHBQDHCIAW-JTQLQIEISA-N 396.421 0.765 0 40 GCAB Cn1c(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc(=O)n(C)c1=O 10498233 OTTVHFPEVCZPNP-KRWDZBQOSA-N 376.800 0.705 0 40 GCAB CC(=O)N1CCc2cc(NC(=O)CN3CCC(NS(C)(=O)=O)CC3)ccc21 11104915 WOEIHUSICSHRNG-UHFFFAOYSA-N 394.497 0.548 0 40 GCAB COCCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19218835 LUJGRVQYPXCCKF-LJQANCHMSA-N 375.425 0.589 0 40 GCAB COC(=O)/C=C/c1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 29299627 VOUVERBBJYJSPL-DIECRNLCSA-N 383.422 0.564 0 40 GCAB CCCC(=O)NCC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 30675074 GZEHAFGXEQRPQR-UHFFFAOYSA-N 397.497 0.881 0 40 GCAB O=C(NCCn1cnc2ccccc2c1=O)[C@H](c1ccccc1)n1cnnn1 96116732 IZQLBCDEDZRPRQ-KRWDZBQOSA-N 375.392 0.789 0 40 GCAB Cn1cc(C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3F)CC2)nn1 225544529 ZOEMOMUWSSOMNV-UHFFFAOYSA-N 385.403 0.923 0 40 GCAB Cc1noc(C)c1CC(=O)N1CC[C@@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 257278898 OECQUQXOAIXFOD-CYBMUJFWSA-N 397.435 0.796 0 40 GCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 575406460 YAEROBXTXDGXNP-DJIMGWMZSA-N 377.485 0.888 0 40 GCAB OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 899166 HSTZMXCBWJGKHG-FSONJKCJSA-N 390.388 0.447 0 40 GCAB biogenic,in-vitro O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 4045438 PNKJUVLFBNMXMK-YNZJMPHRSA-N 378.406 0.150 0 40 GCAB biogenic CCN1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)CC1 4318032 MIDQUCYZGIRLQH-UHFFFAOYSA-N 382.468 0.624 0 40 GCAB Cn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1C1CC1 6106264 NRVFPTZEBATGTC-UHFFFAOYSA-N 375.458 0.622 0 40 GCAB CCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8392772 FEFJHTGFKKIOHG-LBPRGKRZSA-N 385.461 0.867 0 40 GCAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 8829130 ICRDNWWXTYEDIT-UHFFFAOYSA-N 377.378 0.861 0 40 GCAB Cn1nc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O 12796942 GZEQNPLVIKZNMX-UHFFFAOYSA-N 383.374 0.820 0 40 GCAB O=S(=O)(c1ccccc1CNc1ccc2nnnn2n1)N1CCOCC1 12913549 MAQVOMTXNRIAMT-UHFFFAOYSA-N 375.414 0.152 0 40 GCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(O)c(OCC)c1 13535619 ZWKBYKAJACRJQX-HOTGVXAUSA-N 391.424 0.829 0 40 GCAB CNC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)NC)[C@@H]1c1ccc(Br)cc1 15105942 VVHUDXYAOJMQET-WVZRYYJFSA-N 397.269 0.981 0 40 GCAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCCN1CCOCC1)O2 30944582 MSJIXVRKKVYPEA-QGZVFWFLSA-N 397.497 0.361 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 31649677 BYAOGESRTHWQJS-INIZCTEOSA-N 382.420 0.865 0 40 GCAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc21 42384843 OFQTZALZWQJSAZ-SNVBAGLBSA-N 390.421 0.793 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C[C@H](C)O1 48324234 GCUHFLSIRKBSAO-GJZGRUSLSA-N 399.488 0.866 0 40 GCAB CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CC(=O)N(C)C2)C1 96036106 VBIKOGVZWNEOJP-LJQANCHMSA-N 375.473 0.749 0 40 GCAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCSc2nc(C)n[nH]2)c1 223015826 KQUCDSNLZFJYKM-UHFFFAOYSA-N 399.498 0.942 0 40 GCAB Cn1cc(CN2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cn1 306129642 IITXXIKJCQCVJT-IBGZPJMESA-N 386.456 0.429 0 40 GCAB CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 522852108 FRRGPVQLXUSODL-AWEZNQCLSA-N 387.440 0.405 0 40 GCAB Cn1cnc(C(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 585282896 IXOZYFVCYVDHBH-SFHVURJKSA-N 376.388 0.725 0 40 GCAB CC(C)C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C(=O)c2ccccc2C1=O 3299457 HZRPDCSJQZCKNW-CYBMUJFWSA-N 398.419 0.560 0 40 GCAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)C)cc1N(C)S(C)(=O)=O 5554116 JXNMBLAIZHOQKG-UHFFFAOYSA-N 391.515 0.456 0 40 GCAB COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)Cn4ccc(=O)[nH]c4=O)C[C@@H]32)cc1 12121210 HWEMBRMTCZTUSM-PSGMQZRDSA-N 385.420 0.301 0 40 GCAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)NCc1ccc2c(c1)OCO2 12389074 ABSJQECMBUEPHE-CQSZACIVSA-N 377.422 0.752 0 40 GCAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC)cc1 12662901 YYAVVEHWOUBCRK-CUYVQJCZSA-N 378.377 0.859 0 40 GCAB biogenic O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCN(c2ncccn2)CC1 13163808 VUQREQQPFRGMFU-ZDUSSCGKSA-N 390.473 0.083 0 40 GCAB CC(C)(C)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16034088 XWNOOIIVMBMZTL-IRHLFGLPSA-N 384.436 0.471 0 40 GCAB COCC(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 19696134 LKBUHSHDDNYKNY-UHFFFAOYSA-N 384.436 0.921 0 40 GCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 31649321 LEZCXDNOHYVFJA-GFUIURDCSA-N 392.408 0.616 0 40 GCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)C[C@@H](C)O1 40072487 AISZHFHXHNAJHY-IYBDPMFKSA-N 397.497 0.564 0 40 GCAB COC(=O)C1CCN(C(=O)CN2CCOC[C@H]2CC(=O)c2ccco2)CC1 89396606 BQQYJRQHQSJDEF-OAHLLOKOSA-N 378.425 0.965 0 40 GCAB Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 138003937 YXQSQDQDYVOJLV-IOSLPCCCSA-N 395.363 0.065 0 40 GCAB in-vitro COc1ccc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 225434010 WLEDGFSAGJXRTE-ZDUSSCGKSA-N 381.392 0.875 0 40 GCAB Cc1noc(-c2cn(CCNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)nn2)n1 225583697 MUEMOMZXMCUHTJ-OAHLLOKOSA-N 395.423 0.801 0 40 GCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cc1 390828268 AQZKKVZBGQQJMO-UHFFFAOYSA-N 390.425 0.650 0 40 GCAB CN1CCC(NC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 585286308 YRMAJXBUSZXROB-HKUYNNGSSA-N 381.904 0.962 0 40 GCAB O=C(O)CN1CCCC[C@@H](N2CCN(Cc3cccc(F)c3)C(=O)C2)C1=O 643873780 GQRSOXIYPGUIMO-MRXNPFEDSA-N 377.416 0.936 0 40 GCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)CC1 4163066 OIMRTTQVUXTHCU-MRXNPFEDSA-N 387.436 0.951 0 40 GCAB O=C1CN(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c2ccccc2N1 6544331 CJWQBHGHGRUIOE-UHFFFAOYSA-N 392.371 0.925 0 40 GCAB C[C@@H](OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)N(C)C 6654154 YGGULHAZOAUSHM-GFCCVEGCSA-N 393.465 0.867 0 40 GCAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1 7983312 CXAORSIDTPHHES-UHFFFAOYSA-N 389.405 0.515 0 40 GCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1nnc2ccccn12 7989074 LSBHDSWLPRHKSI-UHFFFAOYSA-N 384.421 0.474 0 40 GCAB COC[C@H](C)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 11844998 HTPVVEYNJDNODB-ZDUSSCGKSA-N 384.436 0.852 0 40 GCAB COc1cc(CCNC(C)=O)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1OC 12364297 YBLJSZDVQMRVIU-AWEZNQCLSA-N 386.470 0.840 0 40 GCAB OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O 12957067 NLRXQZJJCPRATR-QRJUGERDSA-N 385.210 0.781 0 40 GCAB O=c1c2ccccc2ncn1CCS(=O)(=O)N1CCN(c2ccccn2)CC1 14093743 QWYDBCGNASQGON-UHFFFAOYSA-N 399.476 0.944 0 40 GCAB O=C(OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 14586317 LDFVROHMRYBVGB-XLAORIBOSA-N 390.388 0.144 0 40 GCAB biogenic COCCn1nnnc1[C@H](c1cc(OC)ccc1OC)N1CCN(C)CC1 19589819 XKOMBEHTPSUWTG-KRWDZBQOSA-N 376.461 0.674 0 40 GCAB COCCn1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CCN(C)CC1 19589820 XKOMBEHTPSUWTG-QGZVFWFLSA-N 376.461 0.674 0 40 GCAB COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 19719808 RSGITQVYADCGJI-CYBMUJFWSA-N 379.438 0.618 0 40 GCAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccccn3)CC2=O)c1 20719284 KXWAMZHQRZLXCX-AWEZNQCLSA-N 382.420 0.989 0 40 GCAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCO[C@@H](C)C3)C2=O)cc1 24148674 CVQNNZJMPVZOEG-KPZWWZAWSA-N 376.413 0.214 0 40 GCAB CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914440 OOGXYRUUAVPHKT-UHFFFAOYSA-N 388.449 0.818 0 40 GCAB COc1cc(C)c(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1OC 32743341 AXAOIYLADMXACR-CVEARBPZSA-N 384.498 0.288 0 40 GCAB Cn1ccnc1CN1CCC(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 48252902 IAEJNMNTTJPCRC-UHFFFAOYSA-N 397.483 0.602 0 40 GCAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 298310785 RFZCWCDHMIGECB-CYBMUJFWSA-N 399.469 0.663 0 40 GCAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSc1nnc(C)c(O)n1 409004248 XAUNYQYUINNYJO-LBPRGKRZSA-N 378.410 0.584 0 40 GCAB C[C@@]1(c2cccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)c2)NC(=O)NC1=O 519081129 NONXZCVEBIECPL-IBGZPJMESA-N 378.344 0.877 0 40 GCAB O=C(NCC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cnccn1 585112458 QWSZTWJTOLFZES-LBPRGKRZSA-N 376.442 0.342 0 40 GCAB CC[C@H](C)[C@@H](C(=O)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)n1cnnn1 604403880 BKJJNNCDGFZJLU-RCJHGTSTSA-N 399.499 0.658 0 40 GCAB biogenic OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(OCc1ccccc1)OCc1ccccc1 5699605 YMTLBGVCGZMOLY-NCXUSEDFSA-N 378.421 0.182 0 40 GCAB COc1ccccc1N1C(=S)N(CC(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 9423480 PQBDLQHMHKWXMK-STQMWFEESA-N 383.495 0.356 0 40 GCAB O=C(NCCCN1CCOCC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 12342429 YWHCPVLZJUWDSD-UHFFFAOYSA-N 386.452 0.299 0 40 GCAB O=C1OCC[C@H]1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 36386895 MAKSSPUZODSUTF-CQSZACIVSA-N 382.438 0.470 0 40 GCAB COc1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc1NC(C)=O 48304038 UZGROAKJWMKJMM-UHFFFAOYSA-N 397.391 0.852 0 40 GCAB O=C(c1ccc2nsnc2c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238920802 TVHCGDZULNHJJA-UHFFFAOYSA-N 392.466 0.951 0 40 GCAB CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 408630375 SQVALDHFQHBXIX-UHFFFAOYSA-N 399.513 0.690 0 40 GCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccc(-c2csnn2)cc1 626324357 ZMLPUHJDRPQVFU-ZDUSSCGKSA-N 397.482 0.987 0 40 GCAB NCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1857794822 WCPDDXPKCNDUMJ-ZDUSSCGKSA-N 386.408 0.545 0 40 GCAB O=C([C@H]1CCOC1)N1CC[C@]2(C1)CN(S(=O)(=O)Cc1ccccc1)CCO2 2055795892 QOCBWPCZRJEPIF-HKUYNNGSSA-N 394.493 0.856 0 40 GCAB CCS[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4802840 YPNFVZQPWZMHIF-GCSSGZNBSA-N 392.426 0.823 0 40 GCAB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1C[C@H]1CCCO1 4829764 JVAOUXNFVQMLOO-CQSZACIVSA-N 399.451 0.914 0 40 GCAB CN(C(=O)CSc1nnc(-c2cccc(F)c2)n1N)[C@H]1CCS(=O)(=O)C1 5958120 LAOMQGIBAAJDRX-LBPRGKRZSA-N 399.473 0.536 0 40 GCAB CCn1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 6490363 UHBBAKIHWIINST-UONOGXRCSA-N 394.501 0.915 0 40 GCAB CCc1cc2c(=O)n(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)cnc2s1 8726192 DVTNXIGCYBTQFV-UHFFFAOYSA-N 397.416 0.794 0 40 GCAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccco1 10157569 VNPUUKBDJJWLGJ-CVEARBPZSA-N 383.408 0.813 0 40 GCAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)CC2)cc1 12810248 RYHNUVGQCFDEIR-RMKNXTFCSA-N 396.447 0.649 0 40 GCAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccncc1 12824148 BAYSDXHUTPAVRB-CYBMUJFWSA-N 388.449 0.693 0 40 GCAB CCC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(C)(=O)=O)CC2)C1=O 12914875 YAMXFVXHDDTCKJ-SFHVURJKSA-N 394.497 0.769 0 40 GCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccncc2)cc1 13371684 AERZPNAJQGJUQV-IRXDYDNUSA-N 396.490 0.819 0 40 GCAB CCn1cc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cn1 19524983 HKYITNKZGXOIPD-UHFFFAOYSA-N 391.453 0.844 0 40 GCAB COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19593170 BFFFLBGCJCNNMB-CQSZACIVSA-N 398.485 0.178 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 35269213 CJIDMWBKGSEMLW-UHFFFAOYSA-N 380.514 0.780 0 40 GCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)C[C@H](C)O1 58160961 LBVWDCWUGWCGOY-RYUDHWBXSA-N 379.479 0.066 0 40 GCAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)c3cnn(C)c3)C2=O)cc1 72308510 HBNRLLIFCSTVSA-GOSISDBHSA-N 386.412 0.363 0 40 GCAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 97013940 KKEJDCJDEKJJJO-LLVKDONJSA-N 377.426 0.985 0 40 GCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](C)O)c2cc(Br)ccc21 101344313 IMKPOKLMVZNCMW-PELKAZGASA-N 384.230 0.470 0 40 GCAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 113972636 WSGQPARBGCQNIN-CQSZACIVSA-N 395.481 0.769 0 40 GCAB COCCNC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2cccc(F)c2)nn1 1549163002 ZHPNJGYIXUQRFP-ARFHVFGLSA-N 379.392 0.158 0 40 GCAB Cc1nc(N[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C(F)(F)F)nc(N(C)C)n1 1615612034 VNQWPZMNASFCCM-NXEZZACHSA-N 399.381 0.490 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O 1616035196 PAJAXGLQESQFHB-OAHLLOKOSA-N 381.314 0.904 0 40 GCAB C[C@@H]1CN(C(=O)CN2CCN(c3ccnc(N4CCCC4)n3)CC2)C[C@@H](C)O1 2086889121 CCROLJVXUNDUDV-IAGOWNOFSA-N 388.516 0.835 0 40 GCAB Cn1c(N)c(C(=O)COC(=O)Cc2cccc3ccccc23)c(=O)n(C)c1=O 3250521 VMERDGRITSDNTR-UHFFFAOYSA-N 381.388 0.788 0 40 GCAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 5251947 GXBNYSXSPOOHGX-UHFFFAOYSA-N 385.380 0.532 0 40 GCAB CCS(=O)(=O)c1c(C(N)=O)c2ccc(C(C)=O)cn2c1S(=O)(=O)CC 6390629 GSYRQUJGDOHWCK-UHFFFAOYSA-N 386.451 0.828 0 40 GCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6673287 UTWIDOASKWNBAG-NEPJUHHUSA-N 397.478 0.578 0 40 GCAB Cn1cnc2c1c(=O)n(CC(=O)NCCCOc1ccccc1F)c(=O)n2C 8775222 TVTUNWOXFDFXPU-UHFFFAOYSA-N 389.387 0.158 0 40 GCAB Nc1nc(Cn2c(-c3nonc3N)nc3ccccc32)nc(N2CCOCC2)n1 8857223 DIRZGMQIVGCBNN-UHFFFAOYSA-N 394.399 0.321 0 40 GCAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)NC(=O)NCc1cccs1 16666105 MRSBDAIJAHHMNG-JTQLQIEISA-N 397.482 0.930 0 40 GCAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16790345 TZYLCGPSUSXFPZ-TZMCWYRMSA-N 394.449 0.662 0 40 GCAB NC(=O)[C@H]1CC(C(=O)NCc2nnc3ccccn23)=NN1c1ccc(F)cc1 30556877 GBUQKOCJVUMODW-CQSZACIVSA-N 381.371 0.605 0 40 GCAB CCCn1c(N)c(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c(=O)[nH]c1=O 34866216 CTCBTBNBRSSMCS-UHFFFAOYSA-N 389.431 0.673 0 40 GCAB COc1ccc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1F 36396645 BCOZMUDFKBTKJP-UHFFFAOYSA-N 386.493 0.444 0 40 GCAB CCC(CC)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)N1CCOCC1 40087040 WFRVIXQFYAFALA-INIZCTEOSA-N 375.473 0.749 0 40 GCAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 95451977 KMIZBXMQSFDTQB-HZPDHXFCSA-N 377.466 0.206 0 40 GCAB Cc1ccc(NC(=O)CN[C@H](C)c2nncn2C)cc1S(=O)(=O)N(C)C 95941255 MBGFEWYYZXKSDW-GFCCVEGCSA-N 380.474 0.663 0 40 GCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cc(C)on1)C2 96050451 BPRSHAKRWPFMJG-GOSISDBHSA-N 386.412 0.197 0 40 GCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC)cc3)C2)C1=O 225380092 WDDALOGIJRPOCZ-AEFFLSMTSA-N 387.480 0.854 0 40 GCAB biogenic,in-vitro CCOC(=O)N1CCC(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)CC1 390827907 LVFHYHHPHMGWKC-UHFFFAOYSA-N 399.455 0.836 0 40 GCAB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408651465 AZRJKJMRKFAKAQ-YDOWWZDFSA-N 384.388 0.984 0 40 GCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2nn(C)c3ccccc23)CCO1 643429684 MYIYCJMLOYQWNL-AWEZNQCLSA-N 388.424 0.276 0 40 GCAB CN1CCC[C@H](N2CCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)CC2)C1 680636341 PUEVPPYTLGMKAH-KRWDZBQOSA-N 384.484 0.423 0 40 GCAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 1365170 PIHSVCAAZRLWFX-AWEZNQCLSA-N 390.483 0.955 0 40 GCAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2159848 KBBYQRYOSLVUEW-VOJFVSQTSA-N 390.392 0.904 0 40 GCAB biogenic CCC(CC)NC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 3380708 PFQPXBWAAPBBIK-NSHDSACASA-N 381.454 0.962 0 40 GCAB CN(C(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O)[C@@H]1CCS(=O)(=O)C1 6660566 JBJLBDQCNLJPKF-CEXMDJMXSA-N 384.435 0.961 0 40 GCAB CCN(CCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 8747443 DLAAIGOZHZTLNQ-UHFFFAOYSA-N 380.470 0.279 0 40 GCAB CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O 9212287 FPPNZSSZRUTDAP-MIJXAVMKSA-N 378.406 0.487 0 40 GCAB in-vitro COCCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997674 UDOFHVSFMPTMRK-UHFFFAOYSA-N 376.456 0.376 0 40 GCAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 12797658 YDIAMCLQQQXYFR-GFCCVEGCSA-N 388.417 0.285 0 40 GCAB CCCCCC(=O)[C@@](C)(C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n21 19924419 QETSVAJRYMQKAN-INIZCTEOSA-N 398.387 0.017 0 40 GCAB NS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(F)c3)CC2)nc1 23761368 UMMAFAGWNKHZRM-UHFFFAOYSA-N 393.444 0.629 0 40 GCAB O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 44226020 IVDFTMSWBDFYSD-GHMZBOCLSA-N 380.426 0.050 0 40 GCAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccccc1 49410615 XZZKSMBYLQNVSK-UHFFFAOYSA-N 391.449 0.186 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)OCC3CC3)C2=O)cc1 58363738 NJFOYMNNDORQGT-IBGZPJMESA-N 389.408 0.532 0 40 GCAB Cc1noc(C)c1S(=O)(=O)N1CCNC[C@H](Cc2cc(N(C)C)ncn2)C1 72355219 FAGYLRMLQKLVGD-AWEZNQCLSA-N 394.501 0.600 0 40 GCAB COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCN(C)C)cc1C 80350179 FTZZGCNWXAUAGM-GDBMZVCRSA-N 390.527 0.094 0 40 GCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cc(C)on3)CC2)CC1 257232209 GJVPMMZSMLZWJK-LJQANCHMSA-N 378.473 0.941 0 40 GCAB Cc1cccc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)n1 306133348 MJFFDINYFYMWKH-GJZGRUSLSA-N 381.436 0.778 0 40 GCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cc(C)[nH]n2)CC1 2055746064 GSSVGQKSLIQPKZ-UHFFFAOYSA-N 375.477 0.083 0 40 GCAB C[C@@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 1260856 GOKQVRGCHCEMMU-JTQLQIEISA-N 377.832 0.928 0 40 GCAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc(OC)c1OC 11665665 BGSSHDJMHOAOIL-RFAUZJTJSA-N 377.397 0.543 0 40 GCAB O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccc2c(c1)OCO2 11665971 SUKZNHBECDELDA-UHFFFAOYSA-N 396.407 0.822 0 40 GCAB Cc1c([C@@H]2C[C@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C 12131052 NLBSOYLOSOSANV-UONOGXRCSA-N 383.499 0.686 0 40 GCAB COc1ccccc1CNC(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1 12391884 WFQDVJHKQICDCP-UHFFFAOYSA-N 383.470 0.195 0 40 GCAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 12552208 DBGWXRXFZYLRMS-GFCCVEGCSA-N 382.486 0.988 0 40 GCAB NC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 19930659 CWEYBSJGUUYQDG-UHFFFAOYSA-N 379.482 0.784 0 40 GCAB CC(C)[C@@H](NC(N)=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 21131688 IZVXFHAIARWQEC-QGZVFWFLSA-N 375.473 0.899 0 40 GCAB CC(=O)c1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)c1 22799501 UZIWFKFCUHOXHH-UHFFFAOYSA-N 391.409 0.303 0 40 GCAB CC(C)(C)NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 23187541 RIXXWXWKDNFLSB-UHFFFAOYSA-N 382.486 0.513 0 40 GCAB O=C(NCC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc2c(c1)OCO2 23995018 NZHZPYQMKWTANJ-UHFFFAOYSA-N 382.420 0.885 0 40 GCAB COc1ccccc1CNC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 31093225 DZDXSXRPYPPPAF-OKILXGFUSA-N 385.486 0.933 0 40 GCAB CC1(C)Cc2c(sc(NC(=O)CN3CCN(CCO)CC3)c2C(N)=O)CO1 40287690 WJTGBPDPDPDHRG-UHFFFAOYSA-N 396.513 0.247 0 40 GCAB CCCCCn1c(N2CCN(C(=O)CC)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260170 OBQBUPKBPSEHLV-UHFFFAOYSA-N 376.461 0.672 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 72335172 UKMFUUHRFLSSCR-KGLIPLIRSA-N 383.499 0.686 0 40 GCAB CN(C)Cc1cc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nn1C 72370171 AHYRDHJVVPECTF-MRXNPFEDSA-N 391.516 0.827 0 40 GCAB CC(=O)N1CCN(CCNC(=O)C(C)(C)NC(=O)Nc2ccccc2)CC1 76060966 FSPLAXIKXPYRDT-UHFFFAOYSA-N 375.473 0.867 0 40 GCAB CC(C)C[C@H](C(=O)OCC(=O)N1CCNC1=O)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102020853 ZMPOMZLZXJCSPN-MELADBBJSA-N 391.424 0.447 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)CC1 238930070 UZUCWIGAQYSPNI-UHFFFAOYSA-N 395.441 0.890 0 40 GCAB CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(C(=O)c4cccnc4)CC2)[C@H]3C1=O 247963636 GOYOXEZNFXTNQR-PZTGFMGMSA-N 381.432 0.915 0 40 GCAB Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1 257246585 IUTNNPDTVOJTIS-KZNAEPCWSA-N 385.468 0.872 0 40 GCAB O=C(CN1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCCCCC1 1889122655 XOZXZFWPWIZGDR-UHFFFAOYSA-N 388.516 0.838 0 40 GCAB O=C(CN1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1)N1CCCC1 2055795999 IOTABBSQONWBOF-FQEVSTJZSA-N 387.484 0.409 0 40 GCAB CCOC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 4061351 DMKBDMFTQRGHLU-UHFFFAOYSA-N 387.421 0.890 0 40 GCAB NS(=O)(=O)c1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1 9305485 BXTQSPFQKWWQIH-UHFFFAOYSA-N 386.433 0.750 0 40 GCAB COc1cc2c(cc1OC)CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)CC2 12734315 KUIGPMXSGBWUSX-SFHVURJKSA-N 382.482 0.755 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)cc1 12927001 MGIJVYNIMMYSES-CQSZACIVSA-N 378.454 0.986 0 40 GCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)s1 32550400 HVKYRYLRSVWVQE-NSHDSACASA-N 380.513 0.370 0 40 GCAB NC(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 33029044 ROJKIDMPZJNJIZ-UHFFFAOYSA-N 388.877 0.621 0 40 GCAB CCN(CC(=O)NC)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 40118816 FZJMFMJEXZZFNC-OKILXGFUSA-N 397.497 0.693 0 40 GCAB CCOC(=O)CSc1nnc(NC(=O)CN2C(=O)NC(C)(C)C2=O)s1 49590290 UUDSBXGCRNHURE-UHFFFAOYSA-N 387.443 0.462 0 40 GCAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cc(=O)n(C)c(=O)n1C 57554018 AZQKXMSWZQXKBF-CYBMUJFWSA-N 399.451 0.280 0 40 GCAB COc1ccccc1C[C@H]1CCCN1CC(=O)N1CCN(S(C)(=O)=O)CC1 58141057 HCMSGSABPHOPOP-QGZVFWFLSA-N 395.525 0.806 0 40 GCAB Cc1cc(NC(=O)CN(C)C(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)no1 58401751 LKFXILFPUCNILO-CQSZACIVSA-N 389.334 0.954 0 40 GCAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c1=O 77100205 LNBBMRBRSPWEGU-ZDUSSCGKSA-N 396.407 0.581 0 40 GCAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCCNS(C)(=O)=O 79052287 SRWOWFPPQQCAJO-CYBMUJFWSA-N 378.472 0.082 0 40 GCAB NC(=O)[C@H]1CC(C(=O)NC2CCN([C@H]3CCOC3)CC2)=NN1c1ccccc1 79110230 BXQFXGRBQWEUEZ-FUHWJXTLSA-N 385.468 0.476 0 40 GCAB Cc1noc(CN2CCCC[C@H](NS(=O)(=O)C[C@@H]3CCCCO3)C2=O)n1 643681414 PAWZNSHUBYIQPP-KBPBESRZSA-N 386.474 0.748 0 40 GCAB Cn1cnnc1N1CCN(C(=O)NCc2ccncc2OCC(F)F)CC1 952876209 GNMNYUYRNFRAEL-UHFFFAOYSA-N 381.387 0.886 0 40 GCAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(S(=O)(=O)C1CC1)C2 2055814234 VIOCYSKUZHCQMF-INIZCTEOSA-N 383.495 0.880 0 40 GCAB Cn1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 4270152 CJVOUHDFDMEZDR-UHFFFAOYSA-N 379.316 0.783 0 40 GCAB COc1ccc(NC(=O)CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC 8769249 IPLPXYDYGVFWAD-UHFFFAOYSA-N 376.413 0.659 0 40 GCAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2nnc(C3CC3)s2)n(C)c1=O 9350359 WCKNVWIVCCRCIQ-UHFFFAOYSA-N 389.441 0.582 0 40 GCAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(c2cnccn2)CC1 11546457 VPISORQETVPPKU-UHFFFAOYSA-N 387.465 0.979 0 40 GCAB CS(=O)(=O)c1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 12974865 LPEHHHXKUSINQW-QGZVFWFLSA-N 387.461 0.941 0 40 GCAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCCN3CCOCC3)ccc21 13580485 ALODQFFNYDRYOL-UHFFFAOYSA-N 381.498 0.851 0 40 GCAB CC(=O)N[C@@]12CCN(S(=O)(=O)c3cn(CC(C)C)nc3C)C[C@@H]1CN(C)C2 19711683 BHIIGXMLNIZSNB-FUHWJXTLSA-N 397.545 0.678 0 40 GCAB CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C(=O)OCC)C3)[nH]c(=O)c21 36069594 FDEXWYYJXFRXPA-QWRGUYRKSA-N 391.428 0.111 0 40 GCAB COc1ccccc1CCNC(=O)CNC(=O)Cn1nnc2ccccc2c1=O 36357389 XNWJIRLFSJARDA-UHFFFAOYSA-N 395.419 0.275 0 40 GCAB Cn1cc(/C=C/C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 58402609 RAJGFQPVPQMREU-VOTSOKGWSA-N 378.429 0.177 0 40 GCAB NC(=O)N1CCN2C(=O)N(C[C@H](O)COCc3ccccc3Cl)C(=O)[C@H]2C1 79019798 TXVPNVAZBMKZAW-GXTWGEPZSA-N 396.831 0.245 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 96099671 NEEJKXYREDMFLP-UHFFFAOYSA-N 388.511 0.617 0 40 GCAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)ncn1 248069222 AKZGKWNIBHUXOV-HNNXBMFYSA-N 375.473 0.777 0 40 GCAB O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCOCC1)C2 514290176 UZFAMEZHPLDMBR-VQTJNVASSA-N 385.508 0.740 0 40 GCAB biogenic,in-vitro Cn1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c(O)nc1=O 515715261 LWWXZCLAUHPZFR-UHFFFAOYSA-N 382.376 0.939 0 40 GCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@H]21 585109935 PHQBTHDWPIDLCU-CQSZACIVSA-N 399.430 0.607 0 40 GCAB NS(=O)(=O)CCN1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 660087906 KOKNHBQJKKTGEJ-UHFFFAOYSA-N 377.413 0.457 0 40 GCAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCc1ccc(F)cc1 1549162715 VRJFJGIOIIQLFJ-IPMKNSEASA-N 391.447 0.168 0 40 GCAB O=C(NC[C@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1)c1csnn1 1565545950 POJAUWTWXBRNKI-SNVBAGLBSA-N 376.442 0.805 0 40 GCAB O=C(Cc1ccc(F)cn1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCOCC2)C1 1565548150 YAQFONZYYOKIOP-GVDBMIGSSA-N 377.416 0.486 0 40 GCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 1565551302 CIPMJGMZZBDQQL-QGZVFWFLSA-N 394.453 0.592 0 40 GCAB Cc1c(C(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)nc2ccccn12 1614929852 IVAWUTFBIZPVBC-ZIAGYGMSSA-N 378.454 0.375 0 40 GCAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)O)ccc12 2146550 HSQBZWPTTASABT-UHFFFAOYSA-N 390.392 0.750 0 40 GCAB biogenic Cn1c(N)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O 4339471 QMZIHCDAEKPUBL-UHFFFAOYSA-N 379.225 0.774 0 40 GCAB CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 12783637 KCCAGUCDGBMXBX-QGZVFWFLSA-N 381.498 0.576 0 40 GCAB CCc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4C)CC2)s1 13534469 GAMJDSVSVRNLHJ-UHFFFAOYSA-N 393.498 0.893 0 40 GCAB CC(C)CNC(=O)c1cccnc1[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 19708027 YXLHLONQNIYADV-OAHLLOKOSA-N 396.513 0.834 0 40 GCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)cc1 25058132 BCLCHZRDDDTURM-CQSZACIVSA-N 392.474 0.281 0 40 GCAB NC(=O)CN1CCC(NC(=O)Cn2c(S)nnc2-c2cccs2)CC1 32908394 AXISCWGRYIAVQZ-UHFFFAOYSA-N 380.499 0.361 0 40 GCAB CC[C@H](C)C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 40157349 JBSKGNQKDMJOMX-ZDUSSCGKSA-N 385.461 0.821 0 40 GCAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)cc1 62006735 WWRFEPQKQRAJGK-UHFFFAOYSA-N 380.408 0.970 0 40 GCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 97013970 ZWOSTFAJIZGZDE-LBPRGKRZSA-N 385.471 0.301 0 40 GCAB COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)CCn4ccc(=O)[nH]c4=O)(C3)C1)C2 101415478 OQMCQWDDWRAVQX-NYYJTOMGSA-N 375.425 0.555 0 40 GCAB CNCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257259235 KXLDCWDCJYKOTR-SFHLNBCPSA-N 375.513 0.896 0 40 GCAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCO 409392671 SSOUSQQTWHJDCL-UHFFFAOYSA-N 378.450 0.961 0 40 GCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1 548228775 LUAANNXZXAEGKL-ZDUSSCGKSA-N 376.479 0.107 0 40 GCAB CNC(=O)COc1cccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 551702060 ZTTISYBHZMHKJI-UHFFFAOYSA-N 399.403 0.586 0 40 GCAB COc1ccc(Cl)cc1S(=O)(=O)NCCOCCN1C(=O)CCC1=O 575621084 YANRDQJKZVNMDH-UHFFFAOYSA-N 390.845 0.793 0 40 GCAB Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1C 575766028 KLPDHNKPFBUQJN-MRXNPFEDSA-N 398.511 0.910 0 40 GCAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1 585101052 ACGAFYACDZJQJH-CRAIPNDOSA-N 392.481 0.496 0 40 GCAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NN3CCN(C)CC3)cc2)C[C@@H](C)O1 3169764 ITRBFUSDYJATBK-GASCZTMLSA-N 396.513 0.377 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)Cc2ccccc2)cc1 3448817 LOUBNNPUVAEDNQ-UHFFFAOYSA-N 375.450 0.352 0 40 GCAB COCCCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 4314343 QTCVHZIRHNJCBG-LBPRGKRZSA-N 375.429 0.953 0 40 GCAB CCCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(C)cc1 4357204 ZXMMMUVWOOQIAQ-MRXNPFEDSA-N 397.497 0.765 0 40 GCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[C@H]1COc2ccccc2O1 5216010 YSVPMMYVFGDETA-LBPRGKRZSA-N 388.401 0.787 0 40 GCAB C[C@H](SCC(=O)O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5413446 RBPQMQUWMOUKKK-NSHDSACASA-N 388.467 0.852 0 40 GCAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 6527413 WRYGLBFLHNZRLB-OCCSQVGLSA-N 394.501 0.740 0 40 GCAB CN(C)c1ccc(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 11030963 JVXLOSFJIASVGB-UHFFFAOYSA-N 391.449 0.873 0 40 GCAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCC(=O)Nc1ccc(F)c(F)c1 12916785 UQYKQSSMODHCHX-RYUDHWBXSA-N 377.347 0.971 0 40 GCAB CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20565953 IKQZUNAWFMKOIA-NCLAMWEWSA-N 384.436 0.473 0 40 GCAB COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 24726098 LDJQXOIGHGVDAG-CYBMUJFWSA-N 381.454 0.771 0 40 GCAB COCCN1C(=O)/C(=C\NCCNc2ccccc2[N+](=O)[O-])C(=O)NC1=S 25561783 HACPBQDOSJZKKX-KHPPLWFESA-N 393.425 0.370 0 40 GCAB CCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 35291092 OQPKZVQAGTWSOQ-UHFFFAOYSA-N 384.440 0.420 0 40 GCAB O=C(Cn1nnc2ccccc2c1=O)NCC(=O)Nc1cc(Cl)ccc1O 36357288 AIBRIPGTBJWMOH-UHFFFAOYSA-N 387.783 0.905 0 40 GCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCNC(=O)C(C)C)C2=O)cc1 36656228 NVMRXFXRNPMBES-IBGZPJMESA-N 390.440 0.351 0 40 GCAB CCOC(=O)Cn1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cn2c1=O 49407947 HRDSVHSXBUSKGR-UHFFFAOYSA-N 382.442 0.480 0 40 GCAB COCCn1nc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)ccc1=O 49590293 QHEGCBIJGWFXIU-UHFFFAOYSA-N 386.364 0.032 0 40 GCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c2cccnc12 95461700 SKABRXNATJTWRI-ZDUSSCGKSA-N 398.510 0.737 0 40 GCAB O=C(Cc1cn2ccccc2n1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95999008 KJLZWODVTOOFDF-INIZCTEOSA-N 392.481 0.530 0 40 GCAB O=C(CCNC(=O)Cn1cc(Br)ccc1=O)NCc1ccccn1 96012234 JZFCTUONGGQMRA-UHFFFAOYSA-N 393.241 0.829 0 40 GCAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 96104227 KYJTXKNRZOLVSN-UHFFFAOYSA-N 394.902 0.654 0 40 GCAB CC(C)CCN1C[C@@]23CN(C(=O)c4cnccn4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96264063 VOTYAPRARWPIKG-KMFMINBZSA-N 380.470 0.520 0 40 GCAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1 585332090 GLRZVACWKWMSSI-UHFFFAOYSA-N 396.425 0.570 0 40 GCAB CC(=O)N(CC(=O)O)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)CC1 663253980 SWXDUKSDWJBWTP-HNNXBMFYSA-N 375.491 0.895 0 40 GCAB Cn1ccnc1[C@@]1(CNC(=O)c2cnn(-c3ccc(F)cc3)c2)NC(=O)NC1=O 1616034943 HHTKOYJHGJOCBL-GOSISDBHSA-N 397.370 0.210 0 40 GCAB NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1 6098447 WESMCXWGNVQTML-UHFFFAOYSA-N 379.369 0.898 0 40 GCAB CCc1ccc(C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6371083 DBSMSOUBHWBVPR-LBPRGKRZSA-N 398.419 0.811 0 40 GCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(CC(N)=O)C(C)C 8877767 VEPDWAPDLPFSCN-UHFFFAOYSA-N 386.474 0.080 0 40 GCAB CN1C[C@@H](NC(=O)CSCC(=O)O)C[C@H]1c1nc(-c2ccccn2)no1 12529784 WKFTXSCGQRJLKF-JQWIXIFHSA-N 377.426 0.811 0 40 GCAB biogenic,in-vitro COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)CNC2=O 19562756 KACSFIXONLKALO-FQEVSTJZSA-N 387.436 0.847 0 40 GCAB O=C(Cn1cccn1)N1CCO[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 19747339 YEYYNTWUPSMKOS-SFHVURJKSA-N 383.452 0.459 0 40 GCAB Cn1cc(C(=O)NCCN2CCOCC2)c2nn(-c3ccccc3)c(=O)c-2c1 22714538 NMYVZFMJTJWVPJ-UHFFFAOYSA-N 381.436 0.738 0 40 GCAB CC[C@@H]1CN(C(=O)CN2C(=O)c3cc(OC)c(OC)cc3S2(=O)=O)CCO1 60350430 GTHFWIVGEXSMFW-LLVKDONJSA-N 398.437 0.486 0 40 GCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 72335167 ZVGBSONLTFAWRK-IAGOWNOFSA-N 391.497 0.667 0 40 GCAB CS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCCC1)Cn1ccnc12 96144797 RCNXLKMTDDWTER-CQSZACIVSA-N 382.486 0.545 0 40 GCAB CCc1cnc(N2C[C@@H]3[C@@H](C(=O)NCC4CC4)CCS(=O)(=O)[C@@H]3C2)nc1 96250991 LJMKVWXQHOSWFY-ARFHVFGLSA-N 378.498 0.805 0 40 GCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2CCOC2)C3)n1 306144688 ZMCGTTLAIMYCHR-ZIAGYGMSSA-N 381.454 0.216 0 40 GCAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 575616037 NZHPSQYCDKKYDZ-UHFFFAOYSA-N 397.469 0.762 0 40 GCAB O=C(N[C@H]1CCS(=O)(=O)C1)C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1 585101053 ACGAFYACDZJQJH-MAUKXSAKSA-N 392.481 0.496 0 40 GCAB CN(C)C(=O)COCC[C@H]1CCOC12CCN(S(=O)(=O)N(C)C)CC2 585104952 MTAGOBKCNSLVLR-AWEZNQCLSA-N 377.507 0.159 0 40 GCAB Cc1c([C@@H]2CN(C(=O)[C@]3(c4ccccc4)CCNC3)C[C@H]2C(N)=O)cnn1C 638726339 NIFFOGIOBRXQKA-WAOWUJCRSA-N 381.480 0.687 0 40 GCAB Cn1cnc(S(=O)(=O)N2CCC(COc3ccc4nccn4n3)CC2)c1 1888897903 JLSQJAMPSFXJOJ-UHFFFAOYSA-N 376.442 0.943 0 40 GCAB CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC 4291482 DOCHAYVUPFVIDX-LBPRGKRZSA-N 379.438 0.464 0 40 GCAB O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 8586217 CNMCFXDTJZNDME-XQCUEUFKSA-N 390.421 0.023 0 40 GCAB biogenic Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@@](C)(O)[C@@]3(C)O)ccc12 12358923 VERJTZMTVXTWPT-LFAQGZIKSA-N 394.420 0.841 0 40 GCAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1 12422772 JUSFQZMZJNAXII-JTQLQIEISA-N 379.438 0.714 0 40 GCAB NC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 13004707 VPFPGCPVTWLFBU-ZWNOBZJWSA-N 377.372 0.519 0 40 GCAB NCCn1nc([C@@H]2CCN(C(=O)COC[C@@H]3CCCCO3)C2)c2nccnc21 19404373 HLOITYYEAJNGCJ-CABCVRRESA-N 388.472 0.687 0 40 GCAB CN1CCC(NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)CC1 19751293 AHMLCOQNVDFHDY-UHFFFAOYSA-N 382.464 0.989 0 40 GCAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCOCC1 19973082 BBFSDPMBCFKSAC-QGZVFWFLSA-N 384.440 0.891 0 40 GCAB C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)n1cnc2c1c(=O)n(C)c(=O)n2C 21629547 ZOBHXGRHSYEQPJ-SECBINFHSA-N 383.364 0.209 0 40 GCAB CN(C)C(=O)CN1CCN(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 23251530 SVVKNFKLDZSFIL-UHFFFAOYSA-N 376.457 0.492 0 40 GCAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 32860404 HQHRKYFMGQHJKV-RTBURBONSA-N 398.525 0.691 0 40 GCAB CN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccc(Cl)cc1 226020298 RHYZZCZHEKWKAO-UHFFFAOYSA-N 389.890 0.987 0 40 GCAB Cn1cc(-c2cccc([C@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)cn1 257328678 XGRKQBPIXYUPMJ-QGZVFWFLSA-N 393.469 0.432 0 40 GCAB Cc1cc(C(=O)N2CCO[C@H](Cn3nnc4c(N5CCCC5)ncnc43)C2)no1 306131398 KDJCONBQWLVCII-ZDUSSCGKSA-N 398.427 0.659 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)CC1 575611219 CTGATSQBKGLBKO-AWEZNQCLSA-N 386.449 0.657 0 40 GCAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCN([C@H]2CCNC2)CC1 585089264 XAASLHSFRHNEDX-ZDUSSCGKSA-N 386.905 0.831 0 40 GCAB CCCS(=O)(=O)N1CC2(CN(C(=O)c3ccccc3)C[C@@H]3COCCN32)C1 604380989 ACCBWNWEYVTALC-QGZVFWFLSA-N 393.509 0.637 0 40 GCAB biogenic,in-vitro Cc1cnn(C)c1C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 627828159 SFFGDTPZZMTCBD-UHFFFAOYSA-N 376.482 0.889 0 40 GCAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)[C@H]1NCC[C@@H]1O)CCO2 1565548145 XWBKKFFTSFXDCD-JENIJYKNSA-N 378.473 0.208 0 40 GCAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966455 FQJCNASGCLDPOL-LLVKDONJSA-N 388.355 0.987 0 40 GCAB Cn1c(O)nc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1=O 1888866928 YUXUQAMASWIBGA-STQMWFEESA-N 376.438 0.243 0 40 GCAB CC(C)CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1 4337056 KCRAVYMASXMENE-CQSZACIVSA-N 387.433 0.061 0 40 GCAB CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)OC 4930259 QOOWVPGPQZSDLW-LBPRGKRZSA-N 377.445 0.371 0 40 GCAB CCOCCCN1C(=O)C(=O)N(CC(=O)c2ccc(S(C)(=O)=O)cc2)C1=O 6879082 XCCXGVLFMGFYEI-UHFFFAOYSA-N 396.421 0.490 0 40 GCAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 7238899 OXWOLNPDFDAIMR-OAHLLOKOSA-N 396.465 0.222 0 40 GCAB CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 9063839 AJKHWYWBNOLUIX-UHFFFAOYSA-N 397.497 0.494 0 40 GCAB COc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCOCC1 10111478 GBIUQJDMVHUBNZ-UHFFFAOYSA-N 385.486 0.398 0 40 GCAB COc1cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)nc(OC)n1 11615790 QPGXVKCGFWPCCF-UHFFFAOYSA-N 388.427 0.666 0 40 GCAB CS(=O)(=O)Nc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 11660827 XGYHEBQEYBKWRV-UHFFFAOYSA-N 380.426 0.958 0 40 GCAB C[C@H](SCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 12922566 VPYDSMJPIMDBEO-NWDGAFQWSA-N 396.490 0.708 0 40 GCAB O=C(CN1CCN(C(=O)CCN2C(=O)Cc3ccccc3C2=O)CC1)NC1CC1 14125230 GPRMLOAIKBZLJN-UHFFFAOYSA-N 398.463 0.024 0 40 GCAB O=C(CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1)NC1CC1 17811203 ISYMEQOAZRMVBS-UHFFFAOYSA-N 383.452 0.279 0 40 GCAB O=C(CO)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19404172 FPRTUOJMOHTFGJ-INIZCTEOSA-N 386.456 0.588 0 40 GCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)CC1=O 19526959 WPWJYZMTMINMKN-WMLDXEAASA-N 385.468 0.913 0 40 GCAB CC(=O)N[C@@]12CCN(CCS(=O)(=O)c3ccccc3)C[C@@H]1CN(C(C)=O)C2 19713081 MYYBJWKJHCQEOJ-IEBWSBKVSA-N 393.509 0.519 0 40 GCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccccc2F)NC(=O)N[C@@H]1C 23074792 BGRJONCJAMWYDZ-SNVBAGLBSA-N 393.371 0.617 0 40 GCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)C[C@@H](C)O1 32771326 WKBBPLHWKXEGGF-ZIAGYGMSSA-N 385.461 0.938 0 40 GCAB O=C(CCNc1ncccn1)NCCS(=O)(=O)N1CCc2ccccc21 40154378 XXSTYYCCDBBJOQ-UHFFFAOYSA-N 375.454 0.787 0 40 GCAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ncc(Br)cn2)CC1 52715741 TXYDKZGLWLBLBY-SNVBAGLBSA-N 385.266 0.595 0 40 GCAB Cc1nc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)sc1C(=O)N(C)C 70637655 XJMUHWJJPILHKK-UHFFFAOYSA-N 387.425 0.534 0 40 GCAB COC[C@@](C)(CCO)NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 75106348 WTXNKCGAJGJTDC-NVXWUHKLSA-N 376.519 0.322 0 40 GCAB Cn1c(C(F)(F)F)nn(CCNC(=O)Cn2cnc3ccccc3c2=O)c1=O 90590820 VNIRXCFUOKEYQQ-UHFFFAOYSA-N 396.329 0.127 0 40 GCAB NCc1ccc(C(=O)N[C@H]2CCC[C@H](n3cnc4c(N)ncnc43)[C@H]2O)cc1 257230649 GDFXZFIBABYSRK-DZKIICNBSA-N 381.440 0.752 0 40 GCAB CNC(=O)[C@@H]1CN(C(=O)CCc2ccnn2C)CCN1CCc1ccccc1 257264037 LSPZPTJGVAYRLH-IBGZPJMESA-N 383.496 0.854 0 40 GCAB Cc1nc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)nn1-c1ccccc1 257290205 QBZUCNNIWBTKLH-ROUUACIJSA-N 385.468 0.873 0 40 GCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 306139089 SPADSCVSZIYPJE-ZDUSSCGKSA-N 376.429 0.542 0 40 GCAB Cc1noc([C@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)C[C@@H](C)O2)n1 585123326 OWMLWPKNWJVIKK-VPOMQUIYSA-N 393.444 0.676 0 40 GCAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2nccn2C)CC1 585294146 QSPRRGACJRDIGP-UHFFFAOYSA-N 378.473 0.814 0 40 GCAB O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)NCC3(CF)CCOCC3)CC2)C1 652096563 KGQKXPDMFZGQLK-ZDUSSCGKSA-N 385.436 0.860 0 40 GCAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCO[C@]2(CCOC2)C1 1116623456 YFIUBZUZHGHBLZ-GOSISDBHSA-N 393.465 0.599 0 40 GCAB O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCS(=O)(=O)CCO1 1135025272 WWVWBKHSYZPYES-CQSZACIVSA-N 388.467 0.028 0 40 GCAB O=C(CN1CCOCC1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615119492 HCUZCMWXUHMWMY-HXUWFJFHSA-N 391.443 0.882 0 40 GCAB CSc1nc(C)cc(=NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)[nH]1 1889090987 RTPPRIOWWGBKTR-UHFFFAOYSA-N 376.486 0.407 0 40 GCAB COCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160433 ZMGRTHCJOWOAIH-UHFFFAOYSA-N 379.438 0.572 0 40 GCAB CCOCCn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314293 PCCOVLHCZBHQII-AWEZNQCLSA-N 389.456 0.982 0 40 GCAB CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 4948807 BPJJKYDEXUWVPX-UHFFFAOYSA-N 395.481 0.320 0 40 GCAB CO[C@@H]1[C@H](COC(C)=O)O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H]1OC(C)=O 4963117 WXKATFNIWVHVSU-XDYICZGBSA-N 382.398 0.896 0 40 GCAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6608084 JMUSEVBCEJDUSM-LLVKDONJSA-N 396.407 0.198 0 40 GCAB Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)o1 32755293 IGZLMMFYTTWZIP-UHFFFAOYSA-N 391.449 0.981 0 40 GCAB CCn1c(=O)n(CCC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21 32771061 MLNZLKWFHNCSHL-UHFFFAOYSA-N 394.497 0.753 0 40 GCAB COc1ccccc1C(=O)N[C@H](C(=O)NCC1(C(N)=O)CCOCC1)C(C)C 57008165 SNRXWTYOEDIQSB-INIZCTEOSA-N 391.468 0.848 0 40 GCAB O=C(c1[nH]nc2c1CCCC2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998917 LRDNPNXKDBOLCA-ZDUSSCGKSA-N 382.486 0.555 0 40 GCAB CCOC(=O)CCC(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 238863353 LEQFCZUFGLTOHQ-UHFFFAOYSA-N 386.474 0.295 0 40 GCAB Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 257210773 BWCLDZAILUGXTK-FPAYPSAMSA-N 387.436 0.994 0 40 GCAB CC(=O)Nc1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)ccn1 257227082 FNNQOZYVTCXWND-IBGZPJMESA-N 376.457 0.729 0 40 GCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C2)CN1C 306135785 PASJJBUJRJLKBW-ZDUSSCGKSA-N 377.832 0.259 0 40 GCAB CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@]4(C)CC=CCC4)C[C@@H](O3)[C@H]2S1(=O)=O 2055745744 XNXXGTUFXQUHAB-ZQOJQMTGSA-N 397.541 0.534 0 40 GCAB CS(=O)(=O)CCC(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2ccco2)C1 2055772305 TYUGZKMXBOYSNG-RRFJBIMHSA-N 384.454 0.194 0 40 GCAB COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2494228 FUFRVMHYXGGDPC-UHFFFAOYSA-N 382.398 0.489 0 40 GCAB O=C(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc4c(c3)OCO4)CO[C@H]12)C1CC1 4270561 KOZAIKDLYVKBCX-YXAMBPQSSA-N 385.380 0.302 0 40 GCAB biogenic,in-vitro O=C(NCc1ccco1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 4569557 ZLCLNZKKFCLQHV-LBPRGKRZSA-N 397.478 0.927 0 40 GCAB CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C1 10387153 QTGCOQLRUJGGFA-UHFFFAOYSA-N 396.451 0.832 0 40 GCAB O=C(COC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OC(F)(F)O2 10992965 GOUZMWRQIDCRQV-MRVPVSSYSA-N 377.321 0.925 0 40 GCAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC1 11406376 YNLGYWXVIDGQBT-SAAWKEMMSA-N 386.495 0.659 0 40 GCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 11616718 FPPNZSSZRUTDAP-ICUOPCATSA-N 378.406 0.487 0 40 GCAB biogenic CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12700583 ZXVQYQYUWMCBJV-ZJUUUORDSA-N 375.472 0.684 0 40 GCAB COc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12914913 FRMKFBWZQCPUCT-ZDUSSCGKSA-N 379.438 0.477 0 40 GCAB O=C1CN(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C(=O)N1 12948226 LZMKSLKRLINXRT-UHFFFAOYSA-N 392.368 0.823 0 40 GCAB C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13757147 IWXAUCXPAWABQM-LLVKDONJSA-N 375.404 0.804 0 40 GCAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 19867631 RDSIUZIRZFLQNS-UHFFFAOYSA-N 379.482 0.529 0 40 GCAB COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 20800032 JECFVACQKRBTQM-NSHDSACASA-N 398.423 0.969 0 40 GCAB COCCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228218 IJMXUOPDVGGVAT-UHFFFAOYSA-N 397.497 0.283 0 40 GCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 22595718 LBXIJRPREWVWHC-UHFFFAOYSA-N 375.406 0.637 0 40 GCAB CCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2COc3ccccc3O2)CC1 26310895 GLLQPZDGJWTQIF-AWEZNQCLSA-N 383.470 0.940 0 40 GCAB CC[C@@H](C)N(C(=O)Cn1nnc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 27333355 WJGZXYPXAUWTQN-OLZOCXBDSA-N 378.454 0.606 0 40 GCAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 28681296 BDRYJKCDZWWRFL-FRRDWIJNSA-N 392.408 0.713 0 40 GCAB CO[C@@H]1O[C@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@@]3(O)[C@@H]5[C@@H]6[C@H](CC[C@H]6O[C@H]3OC)[C@H]([C@@H]45)[C@@]12O 104288791 RJJXWMZYJXNNPT-QESVEOGLSA-N 390.476 0.995 0 40 GCAB Cc1cc(C(=O)O)ccc1S(=O)(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 421817960 YEBZLMFIHLYIIA-UWVGGRQHSA-N 380.344 0.978 0 40 GCAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)N1CCC[C@H]1Cn1ccnn1 565378295 GNNMIKAYIDSUSP-AWEZNQCLSA-N 382.490 0.409 0 40 GCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@@]1(C)CCS(=O)(=O)C1 575426701 YJQRHJGVGVAGRL-HNNXBMFYSA-N 390.483 0.851 0 40 GCAB CN(C)CCOC1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 575967713 OITGXVOCCQODHS-RBUKOAKNSA-N 393.528 0.997 0 40 GCAB O=C(C[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn21)N1CCCCO1 585095713 FFOBDUYDBWGCQN-OAHLLOKOSA-N 391.453 0.968 0 40 GCAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cnc(O)n(C)c2=O)C3)nc1 1888853782 OYIUGOBPNNTLDG-YJYMSZOUSA-N 385.424 0.906 0 40 GCAB CN1CCN(S(=O)(=O)c2cccnc2)C[C@@H](Cc2cn3ccnc3cn2)C1 2037838577 PETCKJREGXWWAU-HNNXBMFYSA-N 386.481 0.919 0 40 GCAB Cn1c2c(c(=O)n(C)c1=O)[C@@](NC(=O)C1CCCCC1)(C(F)(F)F)C(=O)N2 2351851 BIJCHTOAYNDYLE-HNNXBMFYSA-N 388.346 0.490 0 40 GCAB COc1ccccc1CNC(=O)CN1NS(=O)(=O)c2ccccc2C1=O 3396603 ONQFLJNQCLZCOW-UHFFFAOYSA-N 375.406 0.661 0 40 GCAB Cn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(=O)n(C)c1=O 4337649 MZRVWCNBBYFVRI-UHFFFAOYSA-N 377.466 0.727 0 40 GCAB Cn1c(CNC(=O)CCNC(=O)c2cccc(Cl)c2)cc(=O)n(C)c1=O 6719705 KKAKWHAVCQNHFV-UHFFFAOYSA-N 378.816 0.174 0 40 GCAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnnn2Cc2cccs2)C1=O 8756385 PTZQBRROUHWDFN-AWEZNQCLSA-N 395.470 0.627 0 40 GCAB Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)s1 9908139 YWFPDZSMWWNSTH-UHFFFAOYSA-N 385.496 0.703 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 12766175 OKNKKHXFDNHGGD-UHFFFAOYSA-N 389.499 0.342 0 40 GCAB Cc1sc2ncn(CC(=O)N3CCC4(CC3)NC(=O)NC4=O)c(=O)c2c1C 12940740 SPQOMKPUAPCWGV-UHFFFAOYSA-N 389.437 0.275 0 40 GCAB Cn1ncc2c(N3CCN(CN4C(=O)NC5(CCCCC5)C4=O)CC3)ncnc21 12972955 XWOLNXQQBOXKDY-UHFFFAOYSA-N 398.471 0.698 0 40 GCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 13021541 HYNBPYLDUFNPDQ-UHFFFAOYSA-N 399.407 0.542 0 40 GCAB Cc1sc2nc(C)n(CC(=O)NCCC(=O)N3CCOCC3)c(=O)c2c1C 19561254 MNBGKSOVBLXNGO-UHFFFAOYSA-N 392.481 0.748 0 40 GCAB C[C@@H](c1cc(=O)[nH]c(NCCN2CCOCC2)n1)n1ncc2ccccc2c1=O 19717937 XBOMODJTGNSHIN-AWEZNQCLSA-N 396.451 0.833 0 40 GCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1cc(C)ccc1OC 39986064 VJKAODLCHSWPSX-UHFFFAOYSA-N 399.513 0.463 0 40 GCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 43584208 DOHRXJDPHOHLCL-LLVKDONJSA-N 396.343 0.637 0 40 GCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(C(=O)c2cnccn2)C1 70809114 NEBXDTIVLVQTNR-UHFFFAOYSA-N 394.391 0.182 0 40 GCAB COCCCS(=O)(=O)NCCN1CCN(CC(=O)Nc2ccccc2)CC1 72310586 SAVWYTCVIRWKQO-UHFFFAOYSA-N 398.529 0.199 0 40 GCAB O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ncncc1Cl 79019340 LCUDFTJCTOPPDG-UHFFFAOYSA-N 375.820 0.389 0 40 GCAB CCC(CC)[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)N1CCOCC1 95401815 DWUMEKCLRKPXDV-CVEARBPZSA-N 375.535 0.664 0 40 GCAB Cc1ccccc1OCC(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 96104181 FBTFJOQKVCOIQN-UHFFFAOYSA-N 378.454 0.967 0 40 GCAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)N(C)C)CC2 96260356 JWDBHVXIRHCUHX-UHFFFAOYSA-N 383.518 0.493 0 40 GCAB CN1C[C@@]23CN(C(=O)NCCc4ccc(F)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96264064 HYGUAUMNVNMFQN-HLLBOEOZSA-N 383.445 0.565 0 40 GCAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3cnn(C)c3)[C@H](O)[C@@H](C)O2)c1 257332852 XYZDQOVQISIAFX-MYFFOXHASA-N 375.425 0.801 0 40 GCAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCN2CCOCC2)[C@@H](O)C1 585286333 YZFCKUOXKJATNJ-HKUYNNGSSA-N 397.903 0.200 0 40 GCAB CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C(F)(F)F)c1 594702018 SOFKNGIUQYPKBY-SKDRFNHKSA-N 377.388 0.857 0 40 GCAB COCCN1[C@@H]2CN(C(=O)NCc3ccccc3)C[C@@H]2OCCS1(=O)=O 1534645917 TVDKKEXVLAYCHZ-CVEARBPZSA-N 383.470 0.257 0 40 GCAB CCN1C[C@]23CN(C(=O)Cc4ccc(OC)c(F)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565551955 XSZILOHIZRIPKA-RPVQJOFSSA-N 398.456 0.781 0 40 GCAB O=C(NCCN1CCNC1=O)C1=NO[C@]2(CCCN(Cc3ccccc3)C2)C1 2056226100 KLSMYGUUPZAPJP-HXUWFJFHSA-N 385.468 0.939 0 40 GCAB CCOCCn1c(=O)c2c(nc3n(CCOCC)c(C)c(C)n23)n(C)c1=O 4370795 YSKYVYRUCPSVRF-UHFFFAOYSA-N 377.445 0.839 0 40 GCAB COCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OC 8987027 UDTKKDDBNLHKPI-UHFFFAOYSA-N 381.248 0.499 0 40 GCAB NC(=O)Cn1c(Cn2nc(-c3ccc(F)cc3)oc2=O)nc2ccccc2c1=O 10523381 IWXWVFYGPBVQGR-UHFFFAOYSA-N 395.350 0.886 0 40 GCAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)NCC(C)C 13722218 GSGSGQIOMSJLLH-LLVKDONJSA-N 390.483 0.942 0 40 GCAB CCN1CCN(C2=N[C@@H](CC(=O)Nc3ccc(NC(C)=O)cc3)C(=O)N2)CC1 13726712 DQDKJZACMAZKFM-INIZCTEOSA-N 386.456 0.466 0 40 GCAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccnn1C1CCCC1 22781091 RSNNCXVSCVZBGB-INIZCTEOSA-N 395.529 0.741 0 40 GCAB COc1cccc(C2(O)CCN(CCNC(=O)CN3CCN(C)CC3)CC2)c1 22914943 SUWCXFUTLCKWGA-UHFFFAOYSA-N 390.528 0.342 0 40 GCAB CCCn1c(N)c(N(CCOC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O 32718809 ODFKPTXEIQGQQS-UHFFFAOYSA-N 379.417 0.681 0 40 GCAB CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 36386223 PRSGEYOWRHYBFP-UHFFFAOYSA-N 382.486 0.617 0 40 GCAB CCCn1c(N)c(C(=O)CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O 39612723 ZMJIQUHHXHXGCW-UHFFFAOYSA-N 385.468 0.529 0 40 GCAB COc1ccc(S(=O)(=O)N2CCN(Cc3nc(C)no3)CC2)cc1OC 40039726 JFEULSAWDFLFQE-UHFFFAOYSA-N 382.442 0.902 0 40 GCAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 43941675 GHCJLQIRBXQOHS-UHFFFAOYSA-N 397.453 0.200 0 40 GCAB CCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC1 45910394 SGCBKNPBLXNMAB-UHFFFAOYSA-N 395.548 0.783 0 40 GCAB C[C@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2cccnc2)CC1 58341999 LAILKUUNGHQTKH-CYBMUJFWSA-N 376.442 0.205 0 40 GCAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc2ccccc2oc1=O 70640935 KVVTYKFLEVEBQB-UHFFFAOYSA-N 377.360 0.965 0 40 GCAB COCCOc1ccc(S(=O)(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1 83911798 JXFZYASWSZLTIG-AWEZNQCLSA-N 395.524 0.820 0 40 GCAB CN(CC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1)S(C)(=O)=O 206842715 SEQNWTGAELMZHK-ZDUSSCGKSA-N 380.426 0.553 0 40 GCAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCO 408528456 GFJNRPOLDOBKFL-UHFFFAOYSA-N 376.434 0.925 0 40 GCAB CC(C)N1CCC(O)(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 532375510 XQUFQKBABUSFNX-OAQYLSRUSA-N 375.513 0.975 0 40 GCAB CCN1C(=O)[C@H]2CN(c3ncnc4ccc(S(C)(=O)=O)cc34)CCN2C1=O 683391152 JNAIOZTXAQAPDW-CQSZACIVSA-N 389.437 0.506 0 40 GCAB Cc1nc(C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)cs1 1614938552 UOHIWSIWSVCRKL-KRWDZBQOSA-N 375.454 0.990 0 40 GCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](COc3ncccn3)C2)CC1 1775995001 FUOXSDBMCYHJGM-AWEZNQCLSA-N 382.486 0.766 0 40 GCAB O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]2O1 2055729671 RLHADMWKVAUMPD-RRQGHBQHSA-N 379.482 0.712 0 40 GCAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 4249339 BBEHOLDGLNDUFV-ZDUSSCGKSA-N 396.451 0.081 0 40 GCAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 5059478 GGCZMFUUPYNXNZ-CYBMUJFWSA-N 386.470 0.867 0 40 GCAB O=C(CNC(=O)C(=O)NCCc1cccs1)Nc1ccc2c(c1)OCCO2 8883344 XNQKDNSBXJYERB-UHFFFAOYSA-N 389.433 0.933 0 40 GCAB CC(=O)N1c2ccc(S(=O)(=O)NCCn3ncccc3=O)cc2C[C@@H]1C 11856402 SHEUUJFSARZTBL-LBPRGKRZSA-N 376.438 0.519 0 40 GCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12832091 VFIYHTVJINFVMN-UHFFFAOYSA-N 398.423 0.656 0 40 GCAB Cc1ccnc2nc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)nn12 15718170 VWPXGDTZLZUIRG-UHFFFAOYSA-N 386.437 0.886 0 40 GCAB Cc1nc(C)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1 19214695 BRYZCXJKUWZDJZ-UHFFFAOYSA-N 393.469 0.863 0 40 GCAB CC(=O)N[C@]12CN(CC(=O)Nc3ccccc3F)C[C@H]1CCN(C(C)=O)C2 19713601 OWKDZLOHIIGBQY-BEFAXECRSA-N 376.432 0.823 0 40 GCAB COC(=O)CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 32641253 SHAZCTLEUYCYFW-GFCCVEGCSA-N 375.830 0.908 0 40 GCAB O=C(CN1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1)NC1CC1 35336412 FCYSQSCSOGNDGL-UHFFFAOYSA-N 386.452 0.798 0 40 GCAB CC(C)c1cc(=O)n(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 38510114 VMNLBJFYJDJHJI-UHFFFAOYSA-N 378.454 0.373 0 40 GCAB COCCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007715 VAPSTOFPUVTGRD-GDZNZVCISA-N 396.465 0.762 0 40 GCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102274888 GWLQEMNWCUOOMH-HUUCEWRRSA-N 391.449 0.827 0 40 GCAB O=C1CN(CC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C(=O)N1 518970407 DZVRYFJGTIDKGC-UHFFFAOYSA-N 387.440 0.991 0 40 GCAB CN(C)CCNS(=O)(=O)c1cc(Br)cc2c1OCCNC2=O 585138599 LKGUUAUZRIUQKL-UHFFFAOYSA-N 392.275 0.411 0 40 GCAB CCS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4CCOC)C[C@H]2C1 1888890257 UDFAIVRLAKNYSI-STQMWFEESA-N 380.474 0.190 0 40 GCAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCCOCCOCC2)cc1 859396 AHEOZBMKUOYXOA-UHFFFAOYSA-N 386.470 0.165 0 40 GCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)ccc12 2105748 SWQOMUYOMRJXQY-CYBMUJFWSA-N 391.380 0.498 0 40 GCAB biogenic CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O 4354365 MZKJRCQSMFAOCW-OLZOCXBDSA-N 384.477 0.518 0 40 GCAB C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCO2 6657731 HDRDQTBTMWTCGJ-NSHDSACASA-N 399.407 0.082 0 40 GCAB COc1ccc(Cl)c(Cn2c(NCCN)nc3c2c(=O)n(C)c(=O)n3C)c1 12406911 NHRMHZGIRQEFDN-UHFFFAOYSA-N 392.847 0.515 0 40 GCAB C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(C(N)=O)cc1 12820271 ISPOPWWYBQRUBL-GXFFZTMASA-N 383.426 0.080 0 40 GCAB COC(=O)c1cccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1 13013313 WNDPYEODYJYRDS-UHFFFAOYSA-N 376.456 0.176 0 40 GCAB CCN(CC(=O)NC(C)(C)C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 18072563 QTVVPRMAINXMCC-UHFFFAOYSA-N 394.497 0.878 0 40 GCAB C[C@@]1(C(=O)N2CCOCC2)CN(C(=O)c2ccc3nsnc3c2)CCO1 19746876 UXFRFISSQRWAAS-KRWDZBQOSA-N 376.438 0.781 0 40 GCAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCO[C@H](C)C1 22384997 ASVVZUGOWXHGFK-CABCVRRESA-N 397.497 0.755 0 40 GCAB CC(=O)N1CCc2cc(S(=O)(=O)NCCCn3ncccc3=O)ccc21 23137510 CBUNFDSVCHNEDP-UHFFFAOYSA-N 376.438 0.521 0 40 GCAB CCC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 29754719 IJUBGHXIZCWBLA-ZDUSSCGKSA-N 383.470 0.443 0 40 GCAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826638 KJZRAFCQIMCHEH-KGLIPLIRSA-N 394.449 0.110 0 40 GCAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCN(c4ncccn4)CC3)oc(C)c12 36023399 LKWLIMWKOQERFA-UHFFFAOYSA-N 383.412 0.684 0 40 GCAB CCOC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1oc(CO)cc(=O)c1O 71282123 LTBOCBRXGIOGEY-CQSZACIVSA-N 391.376 0.787 0 40 GCAB O=c1ccc(-c2ccco2)nn1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 72402571 RTYLEHRNYXJGHW-AWEZNQCLSA-N 378.454 0.266 0 40 GCAB CCOC(=O)[C@]12CCCN(Cc3cnn(C)c3)C[C@H]1CN(S(C)(=O)=O)C2 96055992 JEJLKWXFDHRJLI-RDJZCZTQSA-N 384.502 0.457 0 40 GCAB COc1ccc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 225433970 WLEDGFSAGJXRTE-CYBMUJFWSA-N 381.392 0.875 0 40 GCAB COc1ccc2nnc(CNC(=O)CCn3cnc4ccccc4c3=O)n2n1 238873869 NOESHDWIBROJPL-UHFFFAOYSA-N 379.380 0.549 0 40 GCAB CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 256007921 VWVKUNOPTJGDOB-TWGBQZSLSA-N 386.444 0.997 0 40 GCAB COc1ccc(CNC(=O)N2CC(S(=O)(=O)c3nncn3C)C2)cc1OC 585321884 FPDHNHBRRJJWSU-UHFFFAOYSA-N 395.441 0.200 0 40 GCAB Cc1snnc1C(=O)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 1614946200 JHESGLUEDMECQC-GFCCVEGCSA-N 376.442 0.687 0 40 GCAB