smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2(C)C)n1C[C@@H]1CCCO1 11818474 BKWQKSUICGMPMB-HNNXBMFYSA-N 398.529 0.956 0 50 GCAA Cn1ccnc1C(=O)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 19839329 MADMWAFRWSQANZ-QZTJIDSGSA-N 387.459 0.957 0 50 GCAA Cc1cc(CNC(=O)c2cnn(C)c2C(=O)NCc2cc(C)nn2C)n(C)n1 20616343 FJBGHEAKKORXDV-UHFFFAOYSA-N 384.444 0.364 0 50 GCAA O=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCC[C@H](O)C2)CC1 72150226 NOTDKBSWXZHZKG-KRWDZBQOSA-N 375.473 0.375 0 50 GCAA O=C(C[C@H]1COCCN1C(=O)c1nnc2n1CCCCC2)N1CCSCC1 72432392 UIPNIAZADQSJFC-AWEZNQCLSA-N 393.513 0.811 0 50 GCAA CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72441876 YIOGKXTZECSSEX-CYBMUJFWSA-N 398.485 0.512 0 50 GCAA CN(CC(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1)C(N)=O 91636180 ZLAKVLFMNKHCNP-UHFFFAOYSA-N 387.484 0.866 0 50 GCAA O=C(CN1CCCC1=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95496725 IXECVTDUEBKRTK-UHFFFAOYSA-N 385.468 0.645 0 50 GCAA CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H]1CCCN1)n2C 178745235 QKUGHYNQADCMNK-CYBMUJFWSA-N 393.513 0.624 0 50 GCAA C[C@@H]1CNCCN1C(=O)c1cccc(S(=O)(=O)N(C)Cc2ncc[nH]2)c1 215822157 JDKABXBKEZWHNN-CYBMUJFWSA-N 377.470 0.664 0 50 GCAA COCC[C@H](NC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C)C(=O)OC 253429117 CAQNNLQILOMSOV-GJZGRUSLSA-N 379.392 0.599 0 50 GCAA CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)CC1 325122809 YBLIQFXJCWANHC-UHFFFAOYSA-N 379.460 0.195 0 50 GCAA CCN(C1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1)S(=O)(=O)[C@@H]1CCO[C@H]1C 330065460 DCBRYXXTISPZTP-AYRXBEOTSA-N 396.531 0.007 0 50 GCAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 378047198 NTOLGOPYCBQDKG-VKJFTORMSA-N 375.425 0.367 0 50 GCAA OCC1(CO)CC(n2cnc3c(N4CCO[C@]5(CCCOC5)C4)ncnc32)C1 888097942 USSYCWPICNJHTR-LJQANCHMSA-N 389.456 0.518 0 50 GCAA O=S(=O)(N1CCCCC1)N1CCCN(c2nnnn2-c2ccccc2)CC1 1529111488 ZFLMSVOHPOBAEP-UHFFFAOYSA-N 391.501 0.905 0 50 GCAA C[C@@]1(O)CCOC2(CCN(CC(=O)NCCc3ccc(F)cc3)CC2)[C@H]1O 1704337795 DURFVEOYCAGTSE-RBUKOAKNSA-N 380.460 0.851 0 50 GCAA Cc1ccc(N2C[C@@H]3CN(C(=O)c4cncn4C)C[C@@]3(CCC(=O)O)C2)nn1 1772814494 CJHXMNYQQSNHBK-AUUYWEPGSA-N 384.440 0.962 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)NCc1cccc(F)c1F 1857530695 HEPVGBQYDRGBPS-OAHLLOKOSA-N 384.408 0.874 0 50 GCAA NC(=O)NCC(=O)N1CCC2(CC1)CC(=O)N(CC1CCCCC1)CCO2 1857703401 KVMULFLSNJZKRK-UHFFFAOYSA-N 380.489 0.845 0 50 GCAA Cc1ccc2c(c1)CCCN2C(=O)CN1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1857723235 ZCKIKRLQMMAXHP-FUHWJXTLSA-N 395.525 0.458 0 50 GCAA CNC(=O)Cc1nc([C@H]2CCn3nccc3C2)n(-c2ccc3nnc(C)n3n2)n1 1857731378 QOJZFXBEIBXIOX-LBPRGKRZSA-N 392.427 0.228 0 50 GCAA O=C(Cc1cccnc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1COCC2 1940196919 DYBVEQPOPVKQMM-IRXDYDNUSA-N 381.436 0.936 0 50 GCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2100547197 DJZLXXFSSWWMSY-FQEVSTJZSA-N 384.436 0.722 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCC[C@H](C(=O)O)C4)cc3C2=O)C(=O)N1 2325895537 CPNIJDKZFFKIQL-ZFWWWQNUSA-N 399.403 0.384 0 50 GCAA Cc1cnc(CN2CC3(C[C@H](NC(=O)CS(C)(=O)=O)c4nccn43)C2)s1 2332238036 VYWTZUOYDROIKW-LBPRGKRZSA-N 395.510 0.465 0 50 GCAA CS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 43237919 BNFZISBEIDCQJK-KRWDZBQOSA-N 380.514 0.984 0 50 GCAA O=C1C[C@H](C(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)NC(=O)N1 67674601 LHRWMOOGQKRBED-CQSZACIVSA-N 382.424 0.046 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)Nc3cccc(Cl)c3)nn2)CN1 67739715 VQDWXZGAULNJHR-KBPBESRZSA-N 377.836 0.902 0 50 GCAA Cc1n[nH]c(SCC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)n1 77380504 LRCNBZJAXAOSSQ-UHFFFAOYSA-N 375.458 0.417 0 50 GCAA CCCN1CCN(C(=O)c2cn3cccc(C)c3n2)[C@H]2CS(=O)(=O)C[C@H]21 77425605 GQSVMNBQHDUTBE-CVEARBPZSA-N 376.482 0.976 0 50 GCAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NCCCn2cncn2)c1 95374437 XPVWIWNQBHYQCR-CQSZACIVSA-N 379.442 0.165 0 50 GCAA Nc1nc2c(c(C(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@H]3O)n1)CCCC2 244816765 SNZQNLBQNMIDRA-IAGOWNOFSA-N 382.468 0.698 0 50 GCAA Cn1ccnc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299757542 JGNWXDNBZXNBHL-QGZVFWFLSA-N 389.500 0.499 0 50 GCAA O=C(c1ccc2[nH]nnc2c1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299802245 ZIWQTXKTHMSLRD-UHFFFAOYSA-N 378.458 0.446 0 50 GCAA O=C1COc2ccc(S(=O)(=O)NCc3nc(-c4cccnc4)no3)cc2N1 670452609 ZXOZAFTZORUPOS-UHFFFAOYSA-N 387.377 0.941 0 50 GCAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)CN3CCOCC3)C[C@@H]21 1565512145 FOAWSRQYYUOUKP-KXBFYZLASA-N 376.409 0.417 0 50 GCAA Cc1ccc2cc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c(O)nc2c1 1616079751 JIPWMHMYIVWHDT-WBVHZDCISA-N 379.482 0.933 0 50 GCAA CCCn1cc(CNC(=O)[C@@]23CCCN(C(=O)COC)[C@H]2CN(C)CC3)cn1 1775982737 XRZPLCZZSWWFDQ-FXAWDEMLSA-N 391.516 0.869 0 50 GCAA Cc1nonc1CNC(=O)[C@@]12CCCN(C(=O)c3ncc[nH]3)[C@H]1CN(C)CC2 1857690127 AYYRZQPETSVNCO-KBXCAEBGSA-N 387.444 0.344 0 50 GCAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCCn1ccnn1 1857703918 WNKARFWTHAYZKK-QGZVFWFLSA-N 394.483 0.881 0 50 GCAA CSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3nsnc3C)[C@H]3CC[C@]2(C1)O3 1857737662 XXWOXWZECANMQX-XSUJLISDSA-N 382.511 0.945 0 50 GCAA Cc1cc(CN[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N2CCC(N(C)C)CC2)no1 2332237577 BSRSYGBJBDVRBM-HZPDHXFCSA-N 384.502 0.038 0 50 GCAA Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356160553 XSXNVYDDQNCVET-AFBRZQFHSA-N 380.452 0.806 0 50 GCAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 814588 XYGISKNLFHACEN-UHFFFAOYSA-N 398.481 0.963 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 9157064 DOKNFBAKOHGCMW-UHFFFAOYSA-N 383.408 0.838 0 50 GCAA CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20539505 UBVCMJDZAJGOQZ-SFHVURJKSA-N 391.516 0.728 0 50 GCAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCC3(O)CCN(C)CC3)ccc21 77489022 XJYGGOXCLFLKQW-UHFFFAOYSA-N 376.457 0.553 0 50 GCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91390900 SSVOTOJAGIJQCW-UONOGXRCSA-N 375.356 0.380 0 50 GCAA Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)CC1=O 92002381 NTQDFHHRDQDSCI-HNNXBMFYSA-N 389.456 0.656 0 50 GCAA CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)N3CCCCCC3)cc2C1 95372316 YIFNDLLWSZNGNY-UHFFFAOYSA-N 398.533 0.981 0 50 GCAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95518896 QLSPZVHNXDEEHJ-CQSZACIVSA-N 397.483 0.950 0 50 GCAA COCC(=O)N1CCC(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)CC1 97463672 WYGRORSGWXQZKD-QGZVFWFLSA-N 377.416 0.710 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCN3)c2)on1 97772864 SUZFAJHTXVEWQH-AWEZNQCLSA-N 378.454 0.943 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3ccc4nsnc4c3)C[C@H]2C1 247532457 PFKSRBJEMZJMHI-BBRMVZONSA-N 382.511 0.910 0 50 GCAA CO[C@@H]1O[C@H]2CC[C@H]3[C@H]4[C@@H]5[C@@H]([C@H]23)[C@@]1(O)[C@@H]1[C@@H]2CC[C@H]3O[C@@H](OC)[C@]4(O)[C@H]([C@H]32)[C@H]51 247885378 RJJXWMZYJXNNPT-VWKQDUJWSA-N 390.476 0.995 0 50 GCAA CCC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)c1nnn[nH]1 267561065 GLFAHXJISIEXHR-CQSZACIVSA-N 394.457 0.728 0 50 GCAA CN(C)S(=O)(=O)CCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 291048054 VFYWAWLENYWWSD-RMKNXTFCSA-N 380.514 0.918 0 50 GCAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cccc3c2OCCO3)n1 328637953 WDPRASBMQRWIRY-WDEREUQCSA-N 381.410 0.900 0 50 GCAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCCn1ncc2ccccc2c1=O 426388421 OOOLTBMWIFGGIW-MRXNPFEDSA-N 380.452 0.876 0 50 GCAA O=C(NCc1cccc(-n2cccn2)c1)N1CCN(CCn2cncn2)CC1 426465545 ZWLLZFQXBAQCJB-UHFFFAOYSA-N 380.456 0.991 0 50 GCAA O=C(NCCc1noc(-c2ccccc2)n1)N1CCN(Cc2nc[nH]n2)CC1 584889367 ZGVHBFOZJMBNJT-UHFFFAOYSA-N 382.428 0.925 0 50 GCAA NC(=O)c1cccnc1N1CCN(C(=O)[C@@H](Cc2cnc[nH]2)n2cccc2)CC1 952987020 DQJCTBOODZHXMI-QGZVFWFLSA-N 393.451 0.838 0 50 GCAA CN(Cc1ccccc1)S(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1 952988225 QEKIPXRXAZSWAL-UHFFFAOYSA-N 389.481 0.679 0 50 GCAA CNS(=O)(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1309947329 ZIRMFGCJNFPXBE-AWEZNQCLSA-N 392.319 0.738 0 50 GCAA CCCN([C@@H]1CC(=O)N(C)C1=O)S(=O)(=O)c1cnn2c1OCC(C)(C)C2 1463584239 NZLPZEOSHMZBJI-LLVKDONJSA-N 384.458 0.460 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(CCCO)CC2)OCC(=O)N1C 1529161375 GTSYWLOZAPLEIZ-MOPGFXCFSA-N 375.469 0.420 0 50 GCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)CN2CCCCC2=O)cc1 1565510348 RGEKCSJFMPDSMK-HOTGVXAUSA-N 375.425 0.451 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccccc1F 1704337107 VKXOYQDFRJVCSG-GXTWGEPZSA-N 380.463 0.152 0 50 GCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC2(CC1)OCCc1sccc12 1704345327 XKISQJSONFAFHL-AWEZNQCLSA-N 379.482 0.909 0 50 GCAA Cc1cn(CC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(=O)nc1O 1875241227 RFZAQOPIFYWFFO-IAGOWNOFSA-N 384.436 0.542 0 50 GCAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1F 1875241506 AXKKFTBYBJZKOE-ILXRZTDVSA-N 379.432 0.884 0 50 GCAA Cn1cc(S(=O)(=O)N2CC(C)(C)[C@H]2c2nccn2CC2CC2)c(O)nc1=O 1875346319 ZXKQNPKHKZENMT-CYBMUJFWSA-N 393.469 0.864 0 50 GCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC(=O)N[C@H](c3ccccc3)[C@H]2C(=O)OC)C1 1875371900 PFMSXSWCVQUZJL-LZQZEXGQSA-N 399.447 0.652 0 50 GCAA COc1cccc(CC(=O)N[C@@H]2CC[C@H](C(=O)NCc3nc[nH]n3)C[C@H]2O)c1 1940194962 FOQABDLDDQOGSK-NUEKZKHPSA-N 387.440 0.318 0 50 GCAA CCNC(=O)N1CCO[C@@H]2CC[C@H](C(=O)NCc3nc(COC)no3)C[C@H]21 2356134988 LOBSBVOIBGWTMS-YNEHKIRRSA-N 381.433 0.431 0 50 GCAA COC(=O)Cn1c(-c2ccc(C)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4629467 NDAZAZVTYQZEIW-UHFFFAOYSA-N 381.392 0.835 0 50 GCAA CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C 5274105 ZNGPROMGGGFOAA-PMPSAXMXSA-N 379.457 0.628 0 50 GCAA COc1cc(NS(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1 30952861 KCEPCPCZIWSQGE-UHFFFAOYSA-N 399.469 0.685 0 50 GCAA CN(C)C(=O)CN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCNCC2)C1=O 67649903 YSUBUGGHJIWWBH-IBGZPJMESA-N 376.432 0.747 0 50 GCAA CCc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1 95507297 CBIPQEBTOLNJTQ-UHFFFAOYSA-N 398.467 0.925 0 50 GCAA COc1cccc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1OC 95520379 GDMMCFHLUKVCIO-ZDUSSCGKSA-N 385.486 0.952 0 50 GCAA Cn1c(CNC(=O)CCn2nnnc2CN2CCOCC2)nc2ccccc21 95523616 YJCRWOMOXAFCAS-UHFFFAOYSA-N 384.444 0.099 0 50 GCAA COC[C@H](NC(=O)c1noc([C@H]2CCCN2C(=O)OC(C)(C)C)n1)C(N)=O 170613433 WEUNYBLGVSNMNK-VHSXEESVSA-N 383.405 0.372 0 50 GCAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC(=O)CCCN2CCOCC2)C1 244866444 VWHXODSVXUKHGK-WKILWMFISA-N 387.488 0.535 0 50 GCAA Cc1nc[nH]c1CN1CCN(Cc2ccc(CO)o2)[C@@H]2CS(=O)(=O)C[C@@H]21 248031282 LXGGJDAZEOVNKA-SJORKVTESA-N 380.470 0.287 0 50 GCAA CCN1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(C(=O)NC)cc3)[C@H]2C1 297263714 YYMOZXKEUAPLBU-DLBZAZTESA-N 381.498 0.671 0 50 GCAA COC(=O)Cc1c(O)oc2c(CN[C@H]3CCS(=O)(=O)C3)c(=O)ccc-2c1C 334158201 XXPOBMBQAMLWBY-NSHDSACASA-N 395.433 0.751 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 373255697 MLJFCXGCCDLVCE-ZACQAIPSSA-N 386.500 0.504 0 50 GCAA C[C@]1(c2cccc(C(=O)N3CCC[C@@H](c4nnc(O)o4)C3)c2)NC(=O)NC1=O 425311683 YHFOUEHZRZQDKU-ADLMAVQZSA-N 385.380 0.850 0 50 GCAA COc1cc(C)nc(N2CCC(N3C(=O)N[C@@H]4CN(C(C)=O)CC[C@H]43)CC2)n1 888103348 DOKPAASKMKDBHD-HZPDHXFCSA-N 388.472 0.777 0 50 GCAA CCCn1cc(C(=O)NCC2CCN(C(=O)C3=NNC(=O)CC3)CC2)c(C)n1 952965710 RLKLFQSBFOJNHW-UHFFFAOYSA-N 388.472 0.836 0 50 GCAA CC(C)C1=NO[C@H](C(=O)N2CCCN(C(=O)c3cnc(O)nc3O)CC2)C1 1529120398 ZBNPGBJYYFPYPF-ZDUSSCGKSA-N 377.401 0.363 0 50 GCAA CS(=O)(=O)c1ccc(CN2CCCN(C(=O)CN3CCOC3=O)CC2)cc1 1529172722 HIIJWBRRYGJYBN-UHFFFAOYSA-N 395.481 0.577 0 50 GCAA CN(C)S(=O)(=O)CCNC(=O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857673670 QSGTWKDAOIIYIY-ZDUSSCGKSA-N 395.485 0.837 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N3CCc4c(O)nc(C)nc4C3)CC2=O)s1 1857720413 SUABBPPFWXPQAS-SNVBAGLBSA-N 388.453 0.842 0 50 GCAA CCS(=O)(=O)N1CCN(C[C@@H](O)C2CCN(c3nccs3)CC2)CC1 1857731039 ILHLCQOZHDKTOG-OAHLLOKOSA-N 388.559 0.688 0 50 GCAA Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C(=O)NCCN3CCCC3)C[C@H]2O)c1C 1875246454 HWIBMZCWWOPAPH-ARFHVFGLSA-N 377.489 0.118 0 50 GCAA Cc1nn(CC(=O)N2CCO[C@@H]3CC[C@H](C(N)=O)C[C@H]32)c(=O)c2ccccc12 1940193547 SUJYEADKBQSPRL-IAOVAPTHSA-N 384.436 0.586 0 50 GCAA O=C(CN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1)N1CCNCC1 2100547914 RXGJQSZZTLELLN-WIYYLYMNSA-N 389.496 0.579 0 50 GCAA O=C(Nc1nccn1CC(F)(F)F)C(=O)N1CCC[C@@]2(CCCNC2=O)C1 2325790505 RDGZKKNAVIAEFC-HNNXBMFYSA-N 387.362 0.903 0 50 GCAA CN1CCn2ncc(CNS(=O)(=O)CC3CC(C(F)(F)F)C3)c2C1=O 2325804074 UFOOJWRLGWGQFN-UHFFFAOYSA-N 380.392 0.977 0 50 GCAA CC1(CNC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CCNCC1 2325895673 GKQHHCKXCCIQID-INIZCTEOSA-N 398.463 0.567 0 50 GCAA O=C(CCn1c(CO)nc2ccccc21)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356155720 KVPGQDUFRRAICB-SJORKVTESA-N 389.452 0.422 0 50 GCAA Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 17077393 RIKVUGQNGHWEFV-UHFFFAOYSA-N 378.454 0.964 0 50 GCAA CCN(CC)[C@H]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 19229244 MQRNGIQBRZBOHH-INIZCTEOSA-N 379.509 0.228 0 50 GCAA Cn1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1=O 71730215 VDKBMRHNUXSVJM-HNNXBMFYSA-N 386.496 0.981 0 50 GCAA CN(CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 131085851 VYBHKWPHCJDMCU-UHFFFAOYSA-N 392.481 0.821 0 50 GCAA CCOC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)CC1 215872368 LHTBPHGQQYDBNE-OAHLLOKOSA-N 381.498 0.968 0 50 GCAA COc1cc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)nc(OC)n1 219381616 CCMNAJSZIBPQHM-QGZVFWFLSA-N 385.428 0.916 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O 299766519 FGQGGIIMHYWDIH-ZIAGYGMSSA-N 375.878 0.240 0 50 GCAA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)CSCc2cccnc2)C1 435043531 QIUPRAVYEFTMGK-OAHLLOKOSA-N 388.497 1.126 0 50 GCAA CC(C)c1noc([C@@H]2CCCN2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 952968726 FPOHOMHFODPCIZ-JTQLQIEISA-N 383.430 0.116 0 50 GCAA Cc1nccn1CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 952973812 BNIZEFFLNMWNIV-OAHLLOKOSA-N 377.470 0.804 0 50 GCAA Cc1nonc1OCCNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772805284 IYUBAUGMFKJXGH-GFCCVEGCSA-N 393.469 0.971 0 50 GCAA c1nc(N2CC[C@]3(C2)Cn2c(nnc2CN2CCCC2)CO3)c2nc[nH]c2n1 1772817737 VWFCADNPPYLCDE-SFHVURJKSA-N 381.444 0.720 0 50 GCAA CN(C)C(=O)CN1C[C@@H]2COC[C@]2(C(=O)NCCOc2ccccc2Cl)C1 1857702668 GHTFJANFEWGECC-AUUYWEPGSA-N 395.887 0.872 0 50 GCAA CCN1C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cn(C)c(O)n4)C[C@@H]32)CCC1=O 1875330793 BYAJZYSHQRPQKG-NFAWXSAZSA-N 389.456 0.057 0 50 GCAA CC1(C)CNCCN1C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325890766 QPXUKGXTIDBQAJ-OAHLLOKOSA-N 384.436 0.272 0 50 GCAA O[C@H](COc1cccc(CNCCSc2ncn[nH]2)c1)CN1CCOCC1 12430829 ZMQPMMXOGNTSIJ-INIZCTEOSA-N 393.513 0.759 0 50 GCAA CCS[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 33358924 YPNFVZQPWZMHIF-CWVYHPPDSA-N 392.426 0.823 0 50 GCAA biogenic,in-vitro COCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 77340840 LDGLJCJBZSKSAK-KGLIPLIRSA-N 386.857 0.436 0 50 GCAA CCCN1CCN(C(=O)Cc2cnc3ccccn23)[C@H]2CS(=O)(=O)C[C@H]21 77423797 BPMBLJDNDVSCIY-CVEARBPZSA-N 376.482 0.597 0 50 GCAA Cc1ccccc1CCC(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77458036 QMTZAYBMIIKMDI-DLBZAZTESA-N 393.509 0.919 0 50 GCAA O=C(c1ccc(Cn2cccn2)o1)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 91906642 QHCPZLKHHLFJDG-SJORKVTESA-N 388.468 0.927 0 50 GCAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)[C@]1(O)CCSC1 328622609 BJPQMVKZGHHYFV-DCGLDWPTSA-N 383.493 0.786 0 50 GCAA Cn1cc(CN(Cc2ccc3c(c2)OCCO3)[C@H]2CCNC2)c(=O)n(C)c1=O 328625466 DEMBPOVWYGZEEW-INIZCTEOSA-N 386.452 0.219 0 50 GCAA COCCN1C(=O)C[C@H](CNc2nccn3cnnc23)[C@H]1c1cnn(C)c1C 425264007 NIHPSDPPFVBFHE-CJNGLKHVSA-N 384.444 0.814 0 50 GCAA O=C(c1cc(O)nc(O)n1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 426503242 IASNJLVYWLTQLI-LJQANCHMSA-N 383.408 0.938 0 50 GCAA O=C(NC1CCN(c2ccccc2)CC1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1346214500 ZLEJEQVYKZTLIG-SJORKVTESA-N 378.498 0.436 0 50 GCAA CC(C)[C@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@@H]1NS(C)(=O)=O 1565509236 BEARHQGECSDTBQ-RISCZKNCSA-N 378.454 0.569 0 50 GCAA CCOc1ccc(OCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704299963 STLALWCPKJMPBW-XJKSGUPXSA-N 386.470 0.487 0 50 GCAA CN1CCN(C(=O)c2cncc(N[C@@H]3COC[C@H]3Cc3ccncc3)n2)CC1 1704338506 DUBOSLALYCOXPD-SJLPKXTDSA-N 382.468 0.929 0 50 GCAA Cc1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c3c(c(=O)oc2c1)CCCC3 1857525481 NEDWMPSWHZWUBC-RFSOPEBBSA-N 392.404 0.159 0 50 GCAA NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(O)cc(C(F)(F)F)c1)C2 1857533053 XGSYYLFQOUPMNF-LLVKDONJSA-N 392.355 0.526 0 50 GCAA CCOC(=O)c1[nH]cnc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857720103 DWRXRJCAHFTJBP-BBRMVZONSA-N 390.444 0.464 0 50 GCAA CCS(=O)(=O)N[C@H]1CCCN(C(=O)N=c2ccn(C[C@H]3CCOC3)[nH]2)C1 1875260029 BMFCFCOBHNUNGX-KGLIPLIRSA-N 385.490 0.277 0 50 GCAA COC1(c2cnnn2C)CN(S(=O)(=O)CC2(C(C)(F)F)CCOCC2)C1 1875393875 OHAZQHBSHMSDHV-UHFFFAOYSA-N 394.444 0.754 0 50 GCAA CCc1conc1CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325814028 GVEWIAHCLSWKKL-UHFFFAOYSA-N 388.399 0.977 0 50 GCAA Cc1nc(C(=O)N[C@H]2CC3(CN(C(=O)[C@@H]4CCN(C)[C@@H]4C)C3)n3ccnc32)co1 2332237902 QGPRTNWTHWSALD-YUELXQCFSA-N 398.467 0.932 0 50 GCAA COc1cc2c(cc1OC)C1(CCN(CC(=O)N3CCNCC3)CC1)OCC2 2356144838 OANTUHKWKYXQGQ-UHFFFAOYSA-N 389.496 0.999 0 50 GCAA O=C(NCc1cccc2ncnn12)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 2356159824 RNELKRUTDMKARQ-OAHLLOKOSA-N 377.470 0.245 0 50 GCAA O=C(NCc1n[nH]c(=O)[nH]1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67654137 QNPYHKLLKCQWET-UHFFFAOYSA-N 397.439 0.334 0 50 GCAA CCc1ccc(CN2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 77321287 GTTZNCVVWBKBJG-DLBZAZTESA-N 380.514 0.015 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2cc(C(C)C)n3ncnc3n2)C[C@@H]1CO 91808318 SSSWWAUWCUQQAC-HUUCEWRRSA-N 390.488 0.506 0 50 GCAA O=C(NCCN1CCCCC1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 95389368 VJXQBXKXRCUJER-MRXNPFEDSA-N 381.498 0.970 0 50 GCAA COCCN1C[C@@H]2CN(C(=O)Cc3ccc(N(C)C)cc3)C[C@]2(C(=O)O)C1 96138291 GATORQAGKZYXBW-OXQOHEQNSA-N 375.469 0.787 0 50 GCAA CCCOCCN1C[C@@H](NC(=O)CCCc2cn[nH]c2)C[C@H]1C(=O)NCC 96159971 RJZXKPFOFXTHMS-IRXDYDNUSA-N 379.505 0.854 0 50 GCAA Cc1ccc(CN2CCCN(C(=O)Cn3nnc4c(cnn4C)c3=O)CC2)cc1 135464976 VNDOCMHCOZTURE-UHFFFAOYSA-N 395.467 0.568 0 50 GCAA Cn1ccc(N2CCC[C@H](NC(=O)N[C@H](CO)Cc3ccc(F)cc3)C2=O)n1 271133836 STFNBHABMVODER-HOTGVXAUSA-N 389.431 0.957 0 50 GCAA COc1cccc(-c2cccc(C(=O)N[C@H]3C[C@H]4C(=O)NCC(=O)N4C3)c2)n1 299765031 ZEAWBQRLHJSSDT-HOCLYGCPSA-N 380.404 0.586 0 50 GCAA COc1cc2c(cc1S(=O)(=O)N1CCO[C@H]3CCOC[C@@H]31)OCC(=O)N2 366251330 DNBAOERJEQEDHB-RYUDHWBXSA-N 384.410 0.205 0 50 GCAA NS(=O)(=O)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 426409277 HKCMAXRPVUAFNP-INIZCTEOSA-N 380.514 0.971 0 50 GCAA COCCn1cnnc1CCNC(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1 534583366 PEMXUJUTEWQZQY-CQSZACIVSA-N 389.460 0.505 0 50 GCAA Cn1ccn2ncc(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)c12 670460069 YIDIYAVSAMKKTA-COFLGROHSA-N 390.491 0.970 0 50 GCAA COc1ccccc1-n1cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)cn1 952982597 ZHBKOPZBVWAUGK-CQSZACIVSA-N 394.453 0.271 0 50 GCAA N=c1[nH]nc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)s1 1857710060 GDLZLBHNMPOGNL-UHFFFAOYSA-N 389.485 0.767 0 50 GCAA CS(=O)(=O)N(CC(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cccc(F)c1 2100547891 QSSCYKMEDUCOQA-SMDDNHRTSA-N 390.458 0.237 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nc[nH]n2)CC[C@H]1NC(=O)c1ncc[nH]1 2100547901 RGPAJGCRNXPVRQ-YNEHKIRRSA-N 375.433 0.538 0 50 GCAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356143319 COCSGPKMHGQFMG-PJIJBLCYSA-N 391.472 0.730 0 50 GCAA O=C(CN1CCCC1=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 2878075 CNEUTNYKWVUXJO-MRXNPFEDSA-N 398.341 0.736 0 50 GCAA COc1cc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2c(N)nc(N)[nH]c2=O)ccc1O 12419090 NDFVOZQCHYBCLA-UHFFFAOYSA-N 396.367 0.129 0 50 GCAA Cc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c1 20783496 FOOQGTUFUUSHIS-MRXNPFEDSA-N 382.468 0.540 0 50 GCAA CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 67612362 CMYDXHDKIZJNNJ-UHFFFAOYSA-N 380.514 0.151 0 50 GCAA CNC(=O)C[C@@H]1COCCN1C(=O)CCSc1nnc(-c2ccncc2)o1 72410226 HQAONGJKJVIZQF-CYBMUJFWSA-N 391.453 0.977 0 50 GCAA COc1cc(Cl)cc(C(=O)N2CCN(C(C)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72439354 OZNQXBTVKFNKCX-CABCVRRESA-N 386.857 0.819 0 50 GCAA COc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)c(C)[nH]c2=O)cc1 91693650 QFGQCIQLEBIISG-UHFFFAOYSA-N 379.438 0.709 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)CC2)nc(N)n1 95361256 LGQPYWMBVQJCHZ-CQSZACIVSA-N 375.477 0.409 0 50 GCAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2nncn2c1 184506342 OCNPPRRTFRAOAC-KRWDZBQOSA-N 379.420 0.929 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(Cl)s2)CCO1 262995039 WBRZFPFTUHATLV-VIFPVBQESA-N 396.874 0.589 0 50 GCAA Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)ccc2s1 1529180635 MOEVRHWCOMLQNQ-GXTWGEPZSA-N 383.495 0.929 0 50 GCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)n2C)[C@@H](O)C1 1565514703 MQJYWBANMDXEOY-LPHOPBHVSA-N 384.480 0.945 0 50 GCAA CCCCNC(=O)N1C[C@H]2CN(C(=O)CCc3cnccn3)C[C@]2(CO)C1 1772817564 DRLPLMSPJWAGFD-DNVCBOLYSA-N 375.473 0.672 0 50 GCAA Cc1cc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)nn1C 1857674927 DFXNELPNLXXLFE-STQMWFEESA-N 376.438 0.683 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)Cn2c(=O)oc3ccccc32)[C@H]1c1cnn(C)c1 1857716830 GMDZSVYHQYFQQJ-HKUYNNGSSA-N 399.451 0.858 0 50 GCAA COC(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857728954 GWVDBQXZXRZABM-ULQDDVLXSA-N 389.452 0.523 0 50 GCAA COC(=O)[C@H]1CCCN(S(=O)(=O)NC2=NC(=O)NC2=C(Cl)Cl)C1 1857800432 BOBUETWAPKFBAF-LURJTMIESA-N 385.229 0.474 0 50 GCAA CS(=O)(=O)N1CCC[C@@H]1CN1CCC(=O)N[C@H](Cc2cccs2)C1=O 1875404769 ULPKNBFEIOBRLK-TZMCWYRMSA-N 385.511 0.432 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCc2noc(C3CC3)n2)C[C@H]1NS(=O)(=O)C1CC1 2100482175 CGDBHEPEORMGNS-IACUBPJLSA-N 398.485 0.829 0 50 GCAA CNc1ncccc1C(=O)N[C@H]1C[C@H](C(=O)NCc2cnn(C)c2C)C[C@@H]1O 2100556663 OHGMJLDWYFPLFB-RCBQFDQVSA-N 386.456 0.351 0 50 GCAA O=C(N[C@H]1c2cccc(O)c2C[C@@H]1C(=O)O)c1c[nH]c(=NC2CCOCC2)cn1 2325820971 QXKJWZYTSHGWOC-KSSFIOAISA-N 398.419 0.923 0 50 GCAA CN=c1ncc(C(=O)N[C@@H]2CC[C@H](C(=O)NC3CCOCC3)C[C@H]2OC)c[nH]1 2356149829 WPYMKSPWDLTRMV-APHBMKBZSA-N 391.472 0.149 0 50 GCAA Cn1[nH]c(C(=O)N2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)nc1=O 2356159388 YITSWKNKRIGJLP-HXUWFJFHSA-N 383.452 0.948 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC 12315609 FJTPAIBRBCUETF-HNNXBMFYSA-N 393.440 0.026 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCn1cccn1 12712196 NZBLHBIOKGWIRJ-QGZVFWFLSA-N 385.468 0.789 0 50 GCAA O=c1[nH]c2ccccc2cc1CN1CCN(S(=O)(=O)N2CCCC2)CC1 67966821 MDVLZXLEONLEBL-UHFFFAOYSA-N 376.482 0.986 0 50 GCAA NC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 77322778 QMIUQUSPBOFHAG-HNNXBMFYSA-N 398.419 0.483 0 50 GCAA Cc1c[nH]c(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC[C@@H](N)C3)cc2)n1 91895584 NSIFNJDYDSLHOD-CQSZACIVSA-N 377.470 0.712 0 50 GCAA CCc1ncc(CN2CCN(C)[C@]3(CCC(=O)N(CC(=O)O)CC3)C2)cn1 92081289 XFJIOYYXJLSIND-IBGZPJMESA-N 375.473 0.622 0 50 GCAA COCCNC(=O)c1cccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1 247877733 OTVLLILJSWRZMC-INIZCTEOSA-N 381.498 0.922 0 50 GCAA C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 264187791 RBYSGRARXBPVOU-WBVHZDCISA-N 393.509 0.413 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2(C)CCN(C)CC2)[C@H](C)O)cc1 272903816 CJBVBUWVBDTGTP-DOTOQJQBSA-N 397.541 0.871 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 275377327 YHTDEDMXCMQTHH-GXTWGEPZSA-N 380.426 0.888 0 50 GCAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCc2c(ncn(CC)c2=O)C1 328635731 UYBKQZGQKYVOIJ-UHFFFAOYSA-N 379.486 0.869 0 50 GCAA CN(CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O)Cc1ccncc1 426427868 ATLFDZQOXKSMCV-RTBURBONSA-N 382.464 0.905 0 50 GCAA CCn1cc(S(=O)(=O)NC[C@@H](c2ccccn2)N2CCOCC2)c(C)n1 670439675 BGGKBHOXKPABHF-INIZCTEOSA-N 379.486 0.958 0 50 GCAA C[C@]1(c2ccc(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)cc2)NC(=O)NC1=O 788601156 GMSGWOMRCALQDE-BDJLRTHQSA-N 387.425 0.185 0 50 GCAA C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(n2cc(Br)cn2)CC1 823561372 KJQRYBNMLYSZTI-LLVKDONJSA-N 384.278 0.713 0 50 GCAA C[C@H](NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(N)=O 864096714 CFKYOQSHRIYLPT-ZFWWWQNUSA-N 383.470 0.971 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]c3=O)C[C@H]2O)n[nH]1 1704302250 FTLOIDNYVQHINW-FZKQIMNGSA-N 381.436 0.949 0 50 GCAA Cc1nc(N2CCOCC2)sc1C(=O)NCc1ncc2c(n1)CCN(C)C2 1857722473 WGKUJLJXVUKNID-UHFFFAOYSA-N 388.497 0.996 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)C1=O 1875247389 USBBFJYMAHYGIA-HZPDHXFCSA-N 386.452 0.601 0 50 GCAA C[C@@H](C(=O)NN1CCN(Cc2ccccc2)CC1)n1cnc2c(N)ncnc21 1875327502 ZSTFXDXGVWOUEH-AWEZNQCLSA-N 380.456 0.819 0 50 GCAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](N)c2ccnn2C)s1 1875346480 FHYDCUUJKHMYMY-CQSZACIVSA-N 385.515 0.828 0 50 GCAA C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cnc(N)c(Cl)c2)C[C@H](C)O1 2325720302 BYXJEUYFBNBAAA-UWVGGRQHSA-N 376.866 0.486 0 50 GCAA COCCCNCc1ccc(OC)cc1OC[C@H](O)CN1CCN(C)CC1 23361118 PVLQBKCXGVKDRV-GOSISDBHSA-N 381.517 0.808 0 50 GCAA CNC(=O)CCN(C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O 67880047 YZNJXIITOIQDEV-IBGZPJMESA-N 381.448 0.756 0 50 GCAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1c[nH]nc1-n1cnnn1 72479259 OVJNHRKOPAHOFX-HNNXBMFYSA-N 378.440 0.747 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2cc(C3CC3)on2)[C@H]2CS(=O)(=O)C[C@H]21 77323485 CFEDVXDHYMJJBV-QWHCGFSZSA-N 382.442 0.157 0 50 GCAA COc1cccc([C@@H]2CN(C(=O)CNC(=O)N(C)C)C[C@H]2C(=O)O)c1OC 91468267 KYEBVZXMRHBVBN-QWHCGFSZSA-N 379.413 0.602 0 50 GCAA O=C(COc1ncnc2ccccc12)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91988215 MYEHIXFDOCLZGS-SJORKVTESA-N 387.436 0.760 0 50 GCAA COCC(=O)N1C[C@@H]2CN(Cc3ccc(F)c(OC)c3F)C[C@]2(C(=O)O)C1 96141860 RZSAUOFMRDTHPI-SGTLLEGYSA-N 384.379 0.965 0 50 GCAA CC(C)CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 229551636 XHNAXFQAOQRCGU-RBSFLKMASA-N 382.482 0.609 0 50 GCAA C[C@@H]1CN(c2ncnc3c2ncn3CC2(CO)COC2)CCN1CC(C)(C)O 888097173 DCDLQOROGUNMAR-CQSZACIVSA-N 390.488 0.117 0 50 GCAA COc1c(O)nc(O)nc1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 1450771365 LAHOEQWHOHUDPV-XPUUQOCRSA-N 385.423 0.995 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@H]2O)on1 1704340185 POEHPRWRMXORQG-CZUORRHYSA-N 384.392 0.715 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccccc1-c1nc[nH]n1 1704344133 PBENBFPTPXCKIX-SMDDNHRTSA-N 379.442 0.108 0 50 GCAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCC[C@H](C4(O)CC4)C3)cc2c1=O 1772813704 PITGHUYPNCIVBB-NSHDSACASA-N 379.438 0.565 0 50 GCAA CC1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(CC3CC3)CC2)COC1 1775960664 ZGICECPGUFQJFZ-IRXDYDNUSA-N 376.501 0.892 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1 1857673617 PUEAPTLNTQHEFG-INIZCTEOSA-N 378.440 0.701 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ncc[nH]1)C2 1857688511 NMGLEFISWQGRMK-QSJFSLAZSA-N 383.518 0.565 0 50 GCAA CCC[C@@]1(CO)CN(c2cc(C(=O)N3CCN(C)CC3)ccn2)CC[C@@H]1O 1857735526 DRZQNILTNWBDGC-PXNSSMCTSA-N 376.501 0.819 0 50 GCAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)CNS(=O)(=O)c2cccnc2)o1 1875404248 BIANCQDSKMVUSL-SJCJKPOMSA-N 391.453 0.843 0 50 GCAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCO[C@@H](c2nnnn2C)C1 2100537545 PPXLTCFKDQRXKF-LLVKDONJSA-N 379.446 0.025 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3sccc3C)nn2)CN1 67784526 XJCWNTUWDXAPSL-RYUDHWBXSA-N 376.486 0.962 0 50 GCAA CCc1c(C)cc(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)c(=O)n1C 77356209 NKRIFYAOVOTKBD-HXUWFJFHSA-N 377.485 0.555 0 50 GCAA O=C(O)COc1ccccc1CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77388025 TWWNJRKQTIHWQT-NVXWUHKLSA-N 385.420 0.910 0 50 GCAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)CC3)[C@H]4C2=O)cc1C 77439908 PYNMTZYWJBPWGB-ZBPHCFQXSA-N 395.459 0.938 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(OC(F)F)cc1)CCN2CCO 95365700 GWCHNJFXNPOYSH-CABCVRRESA-N 376.425 0.564 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1 95390811 ADULYMMNBQNVOG-OAHLLOKOSA-N 378.454 0.459 0 50 GCAA COCCn1ccnc1[C@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 95512671 QPLGJFKPHWGGMS-AWEZNQCLSA-N 375.429 0.094 0 50 GCAA O=C(Cn1nnnc1CN1CCCC1)N1CCC(O)(Cc2ccccc2)CC1 95520009 BIHKUOHITCOJMF-UHFFFAOYSA-N 384.484 0.865 0 50 GCAA O=C1NC[C@@H](C(=O)N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)N1 95531575 ZLPKJDUAZVHUNF-KRWDZBQOSA-N 386.452 0.974 0 50 GCAA CCn1cc(C(=O)N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1 96141476 RLAGIJLCZHRKRE-UHFFFAOYSA-N 387.488 0.884 0 50 GCAA CN[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 151021306 DFPPEGABEACZEV-SECBINFHSA-N 376.276 0.921 0 50 GCAA Cn1ccnc1[C@H]1CNCCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 261995921 KUODPTWZMZAPKY-CYBMUJFWSA-N 390.425 0.110 0 50 GCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1=O 291431073 JONJBEPWSARTQN-FQEVSTJZSA-N 399.451 0.277 0 50 GCAA NC[C@H]1CCN(C(=O)c2ccc(-c3cc(N)nc(N4CCOCC4)n3)cc2)C1 534661227 GQVMFNPSWWZNAW-CQSZACIVSA-N 382.468 0.983 0 50 GCAA C[C@H](CN1CCOCC1)N(C)c1ncnc2c1ncn2C[C@@H](O)[C@@H]1CCCO1 888098013 XCEGGMRENSHBQY-OAGGEKHMSA-N 390.488 0.523 0 50 GCAA O=C(NCc1ccc2ccccc2n1)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 1565525511 IZPBMIMNDIBCTL-IRXDYDNUSA-N 382.464 0.936 0 50 GCAA CN(C)C[C@]12CN(C(=O)CCS(C)(=O)=O)C[C@@H]1CN(C(=O)C1CCC1)C2 1772708937 LZDQTMXYOMFUTN-CRAIPNDOSA-N 385.530 0.070 0 50 GCAA O=C(N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cnc3ccccn3c1=O)C2)[C@H]1CCCO1 1857703555 MTQSQCBRLDWECK-KKBFJZEXSA-N 396.447 0.840 0 50 GCAA O=C(CCn1cccn1)N[C@H]1CC[C@H](C(=O)NCc2cscn2)C[C@@H]1O 1875250470 BKVMPSDCHDBPCQ-QEJZJMRPSA-N 377.470 0.692 0 50 GCAA CN(C)C(=O)NCCN(C)c1ncnc2c1ncn2C[C@@H](O)[C@H]1CCCO1 1875269074 CVZAPYFWTOBXSP-CHWSQXEVSA-N 377.449 0.074 0 50 GCAA Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)NC[C@]34CNC[C@H]3C4)cc12 1875393884 OSQQHGOIWOMPJD-ACJLOTCBSA-N 391.497 0.979 0 50 GCAA Cc1ocnc1C(=O)N1CCc2c(ncn2C)[C@@]12CCN(C(=O)[C@@H]1CCOC1)C2 2325776891 LYQHVVABXWYKOJ-VLIAUNLRSA-N 399.451 0.879 0 50 GCAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2CCCc3sc(=N)[nH]c32)CCO1 2325829244 CTLHGQROZRFYRP-NWDGAFQWSA-N 396.469 0.136 0 50 GCAA CCN1CCN(C[C@H](O)COc2ccc(CN(CC)CCO)cc2OC)CC1 19743908 QGIMMFXLQAEASG-IBGZPJMESA-N 395.544 0.887 0 50 GCAA O=C(NCCc1cn2ccccc2n1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 23339775 AODNSULJXNCIAC-QGZVFWFLSA-N 399.495 0.564 0 50 GCAA CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)(C)O[C@@H]12 39945504 XSWHBVWGSAGKTQ-QTKYJZQCSA-N 388.369 0.247 0 50 GCAA in-vitro CN(C)Cc1cc2n(n1)CCN(C(=O)c1nn(-c3ccccc3)c(=O)cc1O)C2 72435608 FNSHKMDTGMJDKH-UHFFFAOYSA-N 394.435 0.852 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CCN(Cc2cccs2)[C@H](CCO)C1 72480309 MSJMOXFIFGHSMY-CYBMUJFWSA-N 375.516 0.212 0 50 GCAA O=C(Cn1ncc(N2CCCCC2)cc1=O)N1CCC(N2CCOC2=O)CC1 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CCN(CC)C(=O)Cn1cc(C(=O)NCCCCCN2CCOCC2)nn1 19741594 DFNHQFZEQLWDHC-UHFFFAOYSA-N 380.493 0.379 0 50 GCAA Cn1ncc(NC(=O)Cn2cc(-c3ncccc3C(=O)N3CCCC3)cn2)n1 19792695 DUTOZMJAJFBIRR-UHFFFAOYSA-N 380.412 0.948 0 50 GCAA CC[C@@H](C)n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20683775 ZNPHICOXTAQMHR-CYBMUJFWSA-N 388.472 0.761 0 50 GCAA O=C(NC(CO)CO)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71780054 DLINZCAISFYWTL-IBGZPJMESA-N 389.540 0.875 0 50 GCAA O=C(CCO)N1CCn2nc(CN3CCC(N4CCOC4=O)CC3)cc2C1 72407660 UJNQANCJAVZKBC-UHFFFAOYSA-N 377.445 0.024 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)cc(C)o2)CN1C1CCOCC1 95496927 BGDRVQMXOIFHEJ-BBRMVZONSA-N 377.441 0.436 0 50 GCAA CCC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1NS(C)(=O)=O 95512414 UIMFHROYRPUGPZ-UKRRQHHQSA-N 378.458 0.452 0 50 GCAA COc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1C(N)=O 97425607 DDBQYRGVGNQKSO-UHFFFAOYSA-N 389.412 0.684 0 50 GCAA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H]1CCS(=O)(=O)C1 218298437 KRSKRNCKUQYFGX-LLVKDONJSA-N 385.467 0.316 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)C1 244734585 NIHZCRSOHKEWAU-BJHJDKERSA-N 386.391 0.162 0 50 GCAA COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](C2CCOCC2)[C@H]2C(=O)N(C)C(=O)[C@H]21 247818240 HAPQDONLDAOIAL-IAGYGMIVSA-N 386.448 0.770 0 50 GCAA CCOC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 253418840 AQUOGXZEARUCKW-UHFFFAOYSA-N 387.440 0.990 0 50 GCAA CS(=O)(=O)C1(C(=O)NCC(=O)N2CCCc3ccccc32)CCOCC1 253433056 REZBLDCWUHJHND-UHFFFAOYSA-N 380.466 0.676 0 50 GCAA CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 332758721 OGIVZZOABVZEPJ-HZPDHXFCSA-N 388.534 0.304 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)N=c2cc[nH]cc2)c1 408514193 WUTRFYFJJJTEKY-UHFFFAOYSA-N 385.467 0.354 0 50 GCAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cnc(OCC(F)F)cn2)cn1 888092662 DZCWQGWGPGYRGP-RYZVSIALSA-N 385.396 0.800 0 50 GCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1cc2c(nc1O)CCCC2 1565514375 LPGVTDYUEIQPQG-HOTGVXAUSA-N 377.441 0.658 0 50 GCAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCS(N)(=O)=O)CCSCC2)o1 1776111815 RKXRSYVJAABSLA-UHFFFAOYSA-N 390.483 0.213 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@H]1NC(=O)c1cc(C)n(C)n1 1875249462 URSGULQUIKVPSW-GZBFAFLISA-N 379.461 0.024 0 50 GCAA NS(=O)(=O)c1cnn2c1CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)CC2 1875396234 ZNLUMHUXOKOJJM-OLZOCXBDSA-N 395.485 0.054 0 50 GCAA COC(=O)c1cc(S(=O)(=O)NC(=O)c2cnc3ccnn3c2C)n(C)c1 2325820079 ZRLIHYIQNCFQQB-UHFFFAOYSA-N 377.382 0.282 0 50 GCAA CCn1ncnc1C(=O)N[C@](C)(CNC(=O)[C@@H]1CCCCN1C(C)=O)C1CC1 2325823203 JSWWDPPXFLPSNG-HNAYVOBHSA-N 390.488 0.714 0 50 GCAA COCc1cc(CNC(=O)[C@H]2CC[C@@H](N=c3[nH]nc(C)o3)[C@H](OC)C2)[nH]n1 2356134911 IHKBGXKVRFTAFS-NILFDRSVSA-N 378.433 0.581 0 50 GCAA CN(C)CCNC(=O)c1nc(Cn2cc(I)cn2)no1 4742724 ARKCBSGESOPAGB-UHFFFAOYSA-N 390.185 0.210 0 50 GCAA CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 19932504 KUDAVFAQRBUYLK-KRWDZBQOSA-N 383.514 0.339 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2)cc1 57018393 CZAUKAABBDTFMZ-UHFFFAOYSA-N 379.413 0.894 0 50 GCAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)[C@@H](c1ccccc1)n1cnnn1)C2 65394757 DYCHJGZFCKNMJQ-QGZVFWFLSA-N 392.423 0.394 0 50 GCAA CCn1c(C2CCN(Cc3c(C)nn(C)c3N3CCOCC3)CC2)n[nH]c1=O 67446712 IZXFLIZHRLNWBX-UHFFFAOYSA-N 389.504 0.849 0 50 GCAA CC[C@H](C(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1)N(C)C 71775612 WBBCIAVEDFBUBN-MRXNPFEDSA-N 383.452 0.761 0 50 GCAA O=C(C[C@@H]1COCCN1C(=O)c1cnn2ccccc12)NCCc1c[nH]cn1 72435110 KVRXOATXGNASBN-OAHLLOKOSA-N 382.424 0.647 0 50 GCAA O=C1CN(c2ccc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)cc2)C(=O)N1 91690195 CEPLLSDWORDWTJ-AWEZNQCLSA-N 380.408 0.932 0 50 GCAA CCN1CCN(C[C@@H]2CN(Cc3ccc(-c4nnn[nH]4)cc3)C[C@@H]2CO)CC1 95371337 BYCITJCWQCWZBX-RTBURBONSA-N 385.516 0.545 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)n(C)n1 216266480 UGBXIIPOQSNFGT-CQSZACIVSA-N 377.470 0.299 0 50 GCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 225748741 RHORPQSFVXSMJQ-MQYQWHSLSA-N 388.380 0.876 0 50 GCAA Cc1c(C(=O)N2CCN(S(N)(=O)=O)CC2)cnn1-c1ccc(Cl)cc1 264725786 YMSLEYAFRQZPMV-UHFFFAOYSA-N 383.861 0.795 0 50 GCAA CCOc1cccc(Cn2cnc3c(c2=O)CCN(S(=O)(=O)CC)C3)n1 328651133 VWKLFAGUPMNNGA-UHFFFAOYSA-N 378.454 0.793 0 50 GCAA O=C(O)c1csc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 378207074 QTEFITSKVXNSBG-LLVKDONJSA-N 394.496 0.635 0 50 GCAA CO[C@@H]1CCCN(C(=O)C[C@H]2CN(C(=O)C3CC(C)C3)CCS2(=O)=O)C1 952880555 GOHVELMMEDOMNF-FJBKBRRZSA-N 386.514 0.686 0 50 GCAA Cc1nn(Cc2nnnn2CC2CCOCC2)c(C)c1[C@@H]1COCCN1C 952895629 UYBVAGRGNBJDDD-INIZCTEOSA-N 375.477 0.964 0 50 GCAA COc1cc2c(cc1C(=O)N[C@@H]1[C@@H]3CCO[C@@H]3[C@H]1NS(C)(=O)=O)CCC2 1565510952 NYKVTPHAJUGGBS-IEAZIUSSSA-N 380.466 0.619 0 50 GCAA CC(C)Cc1cc(C(=O)N2CCCN(C(=O)CCn3cnnc3)CC2)n(C)n1 1704328947 PVLURQDQVQJBEL-UHFFFAOYSA-N 387.488 0.975 0 50 GCAA Cc1noc(C)c1CNC(=O)[C@H]1CC[C@H](NC(=O)CN2CCOC2=O)[C@@H](O)C1 1857688290 AWQPRMUMTRSBFP-QEJZJMRPSA-N 394.428 0.006 0 50 GCAA O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCc2ncnn2C1 1857711695 CMHONSNZDNQXJJ-CQSZACIVSA-N 389.481 0.810 0 50 GCAA CO[C@@H]1CN(c2ccnc(NCc3nnc4ccc(C)nn34)n2)C[C@@H]1N(C)C 1875398491 SLRCVWMMIXPGAN-UONOGXRCSA-N 383.460 0.600 0 50 GCAA COCC(=O)N1C[C@@H](CC(=O)N[C@H]2CCCn3c(C)nnc32)OCC12CCC2 2325785308 PGGRNQWXASMMAT-CABCVRRESA-N 391.472 0.724 0 50 GCAA Cn1ccc(N2CC[C@H](NC(=O)NC3CCC4(CC3)CS(=O)(=O)C4)C2=O)n1 2325829582 NFAMPZBEIJWANG-ZDUSSCGKSA-N 395.485 0.182 0 50 GCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)CN1 2356159927 WEYAIKVRNKLWLG-STQMWFEESA-N 379.482 0.533 0 50 GCAA COc1cc(CN2CCC(CO)CC2)ccc1OC[C@@H](O)CN1CCOCC1 20452472 IIMDVNRUHHWRBZ-IBGZPJMESA-N 394.512 0.971 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cnc(C)nc3)CC2)C1 71758903 CZPBUQJSGKVDMH-INIZCTEOSA-N 389.500 0.864 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCC(N)CC1)CO2 71759784 ATJJGZHEVQBIFM-INIZCTEOSA-N 390.484 0.600 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCNC(=O)c2cccc(OC)c2)CN1C 91586739 WMNHFLJXPNWUOV-HOCLYGCPSA-N 376.457 0.140 0 50 GCAA COCCN(C)C[C@@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@@H]1CO 92076975 QLCGIKCCJOJMLI-IAGOWNOFSA-N 391.516 0.726 0 50 GCAA Cc1nnc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 95382959 KEDMFIDMFUJKHL-UHFFFAOYSA-N 380.426 0.671 0 50 GCAA CN1C[C@@]2(CCCN(C(=O)Cn3ncc(N4CCCC4)cc3=O)C2)OC1=O 95512021 PWJSFISJCTXPGK-GOSISDBHSA-N 375.429 0.287 0 50 GCAA Cn1cccc1-c1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)[nH]n1 216960583 KUNLTRGIBMXHTK-OLZOCXBDSA-N 377.470 0.911 0 50 GCAA COC(=O)c1cn(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc2c(=O)[nH]nc1-2 253413609 VFQIKVKSKFNSGY-GOSISDBHSA-N 381.348 0.507 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2(C)CCN(C)CC2)[C@@H](C)O)cc1 272903821 CJBVBUWVBDTGTP-NVXWUHKLSA-N 397.541 0.871 0 50 GCAA O=C(COc1ccccc1)NCC(=O)NC1CCN(C[C@H]2CCOC2)CC1 363243670 ZVYKDRFZVMUMRN-MRXNPFEDSA-N 375.469 0.799 0 50 GCAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NC(C)(C)c2nnc(N)s2)[C@@H]3C1=O 426383389 VITBIIOFRDAIAA-NOTQWWDFSA-N 377.470 0.662 0 50 GCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 426398048 LJOIWKYCICNMMS-ZDUSSCGKSA-N 383.460 0.698 0 50 GCAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)C[C@@H]12 1704297059 FCLOFIQZJUHNFX-BEFAXECRSA-N 384.440 0.888 0 50 GCAA COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2nonc2C)c1 1800408536 FAAWFHAEJIQGBX-HOTGVXAUSA-N 392.437 0.951 0 50 GCAA O=C(C1CCC1)N1CCC(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857687170 POEISLVMPDPNPF-OXJNMPFZSA-N 377.485 0.515 0 50 GCAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)C1 1857696676 KZUVMQCVCLOLCR-AWEZNQCLSA-N 395.506 0.994 0 50 GCAA COC1(C(=O)N2C[C@@H](O)[C@H](F)C2)CCN(Cc2cccc(OCCO)c2)CC1 1857712825 URHFAQSTYYHPMF-QZTJIDSGSA-N 396.459 0.580 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857734432 SCALMYSXMUJBRJ-WMZOPIPTSA-N 381.498 0.600 0 50 GCAA C[C@H]1CN(S(=O)(=O)c2cnc3cccnn23)CCN1C1CCN(C)CC1 1875393062 FHGPVZCEQGVYFK-AWEZNQCLSA-N 378.502 0.518 0 50 GCAA Cn1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2c1CCOC2 2325842435 YEDXMXIAHBAVDF-UHFFFAOYSA-N 379.442 0.858 0 50 GCAA CCN1C[C@H](C(=O)N2CC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)CCC1=O 2325864302 LTUYEGFTZQHKQN-CVEARBPZSA-N 386.452 0.375 0 50 GCAA C[C@H]1CCN(C(=O)CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325893105 OIQPSJUGWQCPRH-BLLLJJGKSA-N 384.436 0.728 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N[C@H]4C[C@H](C(=O)O)C4)ccc3C2=O)C(=O)N1 2325896105 RDEZTUXAZBHBHA-MPKXVKKWSA-N 385.376 0.041 0 50 GCAA CC(C)[C@@H](NC(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325896725 FEFWLVWWTJBTNC-UKRRQHHQSA-N 387.392 0.287 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCC1(c2cccc(F)c2)CC1)C1CC1 2332238039 WGFZYPBXEZZOOI-HZPDHXFCSA-N 394.468 0.913 0 50 GCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc2c(s1)C1(CCNCC1)OCC2 2356146185 VVRXZPUCZNYUCO-GUTXKFCHSA-N 382.482 0.140 0 50 GCAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCO)cc1 12427919 WWGZTMJQXYXIFS-UHFFFAOYSA-N 383.408 0.744 0 50 GCAA COc1ccc(CN2CCNC(=O)C2)cc1OCCCNC(=O)[C@H]1CCCO1 14953115 VQCCFONWQVGQCO-QGZVFWFLSA-N 391.468 0.691 0 50 GCAA O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1CCCO1 16650970 XPVQRAQPQMCLAK-INIZCTEOSA-N 382.482 0.935 0 50 GCAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55119346 UBSXQRSCVAVBIG-CQSZACIVSA-N 385.823 0.801 0 50 GCAA CCNC(=O)[C@H]1CCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1 55166492 GFASDNUQGGCRKZ-KRWDZBQOSA-N 375.469 0.882 0 50 GCAA CCn1cc([C@H]2N[C@](C(=O)OC)(c3ccccc3)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cn1 65407200 ZJLXMSGFOFWRGZ-AXHMDWHKSA-N 382.420 0.847 0 50 GCAA COC(=O)C[C@@]1(C(=O)OC)N[C@H](c2ccc(F)c(C)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65434908 PPAKMSLMZNSFLO-DEXNDLTESA-N 392.383 0.484 0 50 GCAA O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N(CCO)CCO 72144515 QOBSRCZQAOLJRX-LJQANCHMSA-N 385.464 0.344 0 50 GCAA COCC(=O)N1CCC[C@H](C(=O)N2CCN(c3ncnc(C)c3C)CC2)C1 95361321 UUZIGJVJXPBHJS-INIZCTEOSA-N 375.473 0.627 0 50 GCAA Cc1cc(N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)nc(N2CCCC2)n1 95367230 YTZXQSXJDHKQHZ-IAGOWNOFSA-N 375.517 0.887 0 50 GCAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCC(N)=O)c1 95517608 IHUNIBQMGAESHE-UHFFFAOYSA-N 375.425 0.690 0 50 GCAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H]1COc2ccccc2C1 95525442 BGBHGQZGHWUWKO-MRXNPFEDSA-N 386.456 0.405 0 50 GCAA CCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(C(=O)c2cc(=O)cc(C)o2)C1 96151699 ZEJXGDBTZAGLOO-HIFRSBDPSA-N 377.441 0.926 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N3CCN[C@@H](C)C3)c2)n[nH]1 97532578 BDNNJQGLMRUOKK-NSHDSACASA-N 378.458 0.026 0 50 GCAA O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1 220110600 ZKXZLIFRWWKZRY-KRWDZBQOSA-N 383.452 0.436 0 50 GCAA in-vitro CS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccc3nc(O)c(O)nc3c2)C1 253536581 WMQZISGOENYIPV-SNVBAGLBSA-N 380.426 0.442 0 50 GCAA COCCNC(=O)Cn1cc(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cn1 363335014 JOEQVVHPDNLRJB-KRWDZBQOSA-N 385.424 0.562 0 50 GCAA Cn1nccc1S(=O)(=O)N1CCn2ncc(I)c21 451100816 YCABKECGPKKMLQ-UHFFFAOYSA-N 379.183 0.430 0 50 GCAA NC(=O)Cn1cc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)nn1 463586518 BHTFNDXQUSIXDT-LBPRGKRZSA-N 399.386 0.972 0 50 GCAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3nc(O)n[nH]3)CC2)c1 670439881 HPWULYMCZQQSGQ-UHFFFAOYSA-N 389.412 0.696 0 50 GCAA C[C@H](Cc1cccs1)C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCNC1 886031766 SWVHYPBVVIFBHY-UKRRQHHQSA-N 390.509 0.715 0 50 GCAA C/C=C(\C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)N[C@H]3C[C@@H](O)C3)C2)C1 952876795 WTWARECTKWWVBO-VQPGZHABSA-N 384.498 0.434 0 50 GCAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cn(CCN3CCNCC3)nn1)C2 1073282707 TYQJKQUEPPHDBX-IRXDYDNUSA-N 375.521 0.130 0 50 GCAA Cc1ccc([C@H]2CN(S(=O)(=O)c3cnc(O)nc3O)C[C@@H]2N(C)C)cc1 1565529820 HVMCFHILSDUMGM-KGLIPLIRSA-N 378.454 0.915 0 50 GCAA COCC(=O)N1C[C@H]2CN(C(=O)c3cc(O)nc4ccc(C)cc34)C[C@@]2(CO)C1 1772710383 QUDCSQFNNNYVBP-LHSJRXKWSA-N 399.447 0.788 0 50 GCAA CSCC[C@@H](NC(=O)CCc1nc2c(O)nc(S)nc2nc1O)C(=O)O 1776004590 UPQVHDJOWTVHCR-SSDOTTSWSA-N 399.454 0.375 0 50 GCAA CO[C@H]1C[C@@H](C(=O)NCCCn2ccnc2)CC[C@@H]1NC(=O)c1[nH]nnc1C 1857684007 VLZFXUDKLHBFGG-KKUMJFAQSA-N 389.460 0.430 0 50 GCAA O=C1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C(=O)N1 1857798115 PNQBCEOWYBBOMQ-CJNGLKHVSA-N 384.436 0.561 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CC1 1875367507 IWZMYHQKTQDCGC-OAHLLOKOSA-N 381.473 0.851 0 50 GCAA Cn1cc(Br)c(OCC(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)n1 1875403007 ORAQTWCKRAWDKS-RAIGVLPGSA-N 398.261 0.714 0 50 GCAA Cc1cccc(N2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)c1C 2925996 WNZPIUJYORZCDS-UHFFFAOYSA-N 378.454 0.499 0 50 GCAA CN(CCc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1 12074883 VUINVJNAVDWXGL-IBGZPJMESA-N 383.496 0.854 0 50 GCAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N[C@H]1CCS(=O)(=O)C1 12296322 AAKSDVYBQGRKBH-LBPRGKRZSA-N 390.465 0.539 0 50 GCAA biogenic Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1C 19740516 BBHQVIHMNQJPJV-KRWDZBQOSA-N 396.495 0.848 0 50 GCAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNCc1cc(=O)[nH]cn1 67675540 SZUHWTSQDKZBPX-SFHVURJKSA-N 378.379 0.691 0 50 GCAA O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1CCC(N2CCOC2=O)CC1 82137328 JSVUMKBVVPJAAO-CQSZACIVSA-N 376.461 0.867 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)CSc3ncccn3)C[C@H]2CCCO)CC1 91440392 AQLFNSDRXPHBQE-SJORKVTESA-N 393.557 0.806 0 50 GCAA O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1 91526472 BHEKOXCPIZWKTM-HNNXBMFYSA-N 378.454 0.840 0 50 GCAA Cc1nc(CCN(C)S(=O)(=O)c2ccc(C(=O)N[C@H]3CCNC3)cc2)no1 92002262 UFQYZCZXIRHUGL-AWEZNQCLSA-N 393.469 0.333 0 50 GCAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)cc1OC 95380571 XNYNTKDWMVEUKJ-HZPDHXFCSA-N 378.469 0.841 0 50 GCAA CN1CCN(C(=O)c2cccc(S(=O)(=O)NCCc3cn[nH]c3)c2)CC1 95391023 OVUNIZBUDBVOMF-UHFFFAOYSA-N 377.470 0.318 0 50 GCAA Cc1nc(CN(C)[C@H]2CCS(=O)(=O)C2)n(-c2ccc3c(c2)OCCO3)n1 96148294 HQXGCNBYSJOEJC-AWEZNQCLSA-N 378.454 0.966 0 50 GCAA C[C@@]1(NC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)CCS(=O)(=O)C1 96152150 LVBOELAAZRQKOZ-CYBMUJFWSA-N 379.435 0.896 0 50 GCAA COc1ccc(C)cc1S(=O)(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 107415827 AMRBEZDFZBTGES-GOSISDBHSA-N 381.498 0.979 0 50 GCAA CC[C@@H](OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 170591124 VSTLYKOLOMFVNI-CWRNSKLLSA-N 399.465 0.922 0 50 GCAA C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 269477003 VUHQCPNOQYIYDW-UHFFFAOYSA-N 385.873 0.865 0 50 GCAA CO[C@H]1C[C@H](C(=O)Nc2ccc3ccn(C)c(=O)c3c2)N(S(C)(=O)=O)C1 375295654 KLZQRMAOTIYVRY-DZGCQCFKSA-N 379.438 0.526 0 50 GCAA CN1Cc2ccccc2C[C@H]1CNC(=O)N1CCCN(S(C)(=O)=O)CC1 426602314 ACFJLAKVMWOWPM-KRWDZBQOSA-N 380.514 0.720 0 50 GCAA O=C1CC[C@H](C(=O)NCC2CCN(Cc3nc(C(F)(F)F)no3)CC2)N1 1506414426 PRGPINKJYNHZPF-SNVBAGLBSA-N 375.351 0.695 0 50 GCAA CN(C(=O)Nc1cnn(Cc2ccccc2F)c1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565510710 YFCKHVBEKULHAX-GJZGRUSLSA-N 382.417 0.692 0 50 GCAA Cc1nn(CC(=O)N[C@@H](C)CCNC(=O)COc2ccccc2F)c(=O)n1C 1775989997 BPKSJGBKJMTNPT-LBPRGKRZSA-N 393.419 0.119 0 50 GCAA Cc1cccn2c(CC(=O)N[C@H]3[C@H]4CC[C@@H]3CN(S(C)(=O)=O)C4)cnc12 1857707301 MPQIDRYSPDELLY-XOIINTDNSA-N 376.482 0.971 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(-n4cc(-c5cc[nH]n5)nn4)ccc3C2=O)C(=O)N1 1875355165 BQLXXPVKHOAXEY-OAHLLOKOSA-N 377.364 0.418 0 50 GCAA CC(C)[C@H](O)c1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875357073 XZZNTDJCJDOKMY-RDJZCZTQSA-N 383.408 0.718 0 50 GCAA CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 633284 PHIXLMFAHATQOJ-LLVKDONJSA-N 376.438 0.894 0 50 GCAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(CCN2CCCCC2)nn1 11662559 XCOLHPYMRQPGCV-OAHLLOKOSA-N 379.461 0.558 0 50 GCAA CC(=O)N1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)CC1 20997098 IOWSHHSKSLDJET-UHFFFAOYSA-N 385.468 0.779 0 50 GCAA CCC(=O)Nc1cccc(OCC(=O)NCCN2CCC[C@@H](C(N)=O)C2)c1 55212163 NACMKVUZGYWZBR-CQSZACIVSA-N 376.457 0.727 0 50 GCAA COCCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71721275 GSYLULBBSAXKQN-KRWDZBQOSA-N 380.533 0.500 0 50 GCAA CN[C@@H](CO)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77406363 LMJLGBSORFALPA-INIZCTEOSA-N 377.441 0.459 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCn2ccnn2)c1)N1CCOCC1 95386313 KWSXMFZPIHVQSV-UHFFFAOYSA-N 379.442 0.119 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 95529622 GAOXSOIPSSMTSP-CQSZACIVSA-N 383.460 0.971 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1 97657091 QFTBNCWIXYPPJM-UHFFFAOYSA-N 382.486 0.923 0 50 GCAA CC(C)Cc1cc(CNC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)no1 248152500 BZCFNPAMAQAVFE-GJZGRUSLSA-N 378.473 0.574 0 50 GCAA O=C(NCCNC(=O)c1cccnc1)NC1CCN(C[C@H]2CCCO2)CC1 734265620 OEUQCEBJEFTYLI-QGZVFWFLSA-N 375.473 0.754 0 50 GCAA COCCNC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1C 952972933 AWTDOYWKCYXVQS-AWEZNQCLSA-N 376.413 0.592 0 50 GCAA Cn1cc(N2C[C@H](C(=O)N[C@@H](c3nc(=O)o[nH]3)C(C)(C)C)CCC2=O)cn1 1299827101 IZWZCRUAHNDESA-MFKMUULPSA-N 376.417 0.743 0 50 GCAA Cc1cc(CC(=O)N2C[C@@H]3CN(C(=O)c4cccc(C)n4)C[C@@]3(CO)C2)on1 1772702596 KVDIJEHYHWKNSU-FOIQADDNSA-N 384.436 0.822 0 50 GCAA COc1nccc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2C)c1Br 1857531007 SGOJDAZSNPNXDI-BMIGLBTASA-N 388.262 0.664 0 50 GCAA COc1cc(C(=O)N[C@@H]2CN(C(=O)c3cnn4ccn(C)c34)CC[C@H]2O)ccn1 1857682424 PODAPJCAWKUXGI-HUUCEWRRSA-N 398.423 0.082 0 50 GCAA O=C(c1cc[nH]c1)N1CCC[C@](O)(CN2CCC(N3CCOC3=O)CC2)C1 1857708997 YFRHSXQZBKQAFK-IBGZPJMESA-N 376.457 0.898 0 50 GCAA Cc1nc(O)cc(C2CCN(C[C@@H](O)C3CCN(C(=O)CO)CC3)CC2)n1 1857721106 YZLLIZUCSAKOAK-QGZVFWFLSA-N 378.473 0.262 0 50 GCAA CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3ccnn3[C@@H]3CC3(F)F)C[C@@H]12 1875395140 MWXZLPUTSAAROY-QNWHQSFQSA-N 390.412 0.417 0 50 GCAA CC(=O)OCC(=O)N1CCn2ncc([S@@](C)(=O)=NC(=O)[C@@H]3CC3(C)C)c2C1 2325785272 NFPWUAQWJWDCHX-BIXPNRAVSA-N 396.469 0.818 0 50 GCAA Cc1nn(C)c(C(=O)NC[C@H](NC(=O)C2(NC(N)=O)CC2)C2CC2)c1Cl 2325851178 RFYJKRDBYQJWRF-JTQLQIEISA-N 382.852 0.207 0 50 GCAA Cn1cc(CNC(=O)c2c(NC(=O)c3ccnn3C(F)F)cnn2C)cn1 2800228 PIBFNUVVGCSBMQ-UHFFFAOYSA-N 378.343 0.928 0 50 GCAA CC1(C)CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1 4666339 MHPTVOROZBQTHM-UHFFFAOYSA-N 375.516 0.922 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1 4988400 XBTAZILNJNEQIX-OAHLLOKOSA-N 377.470 0.756 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCN3CCNC3=O)C2=O)c1 67460206 YKVKIPDLEWVWJC-IBGZPJMESA-N 394.447 0.303 0 50 GCAA CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O 95495882 YEGWXAYJKBXIEJ-UPGMHYFXSA-N 393.392 0.825 0 50 GCAA CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC)[C@H]1NC(=O)c1ccccc1 257346989 KXCZDMXWZFGETJ-OGJJZOIMSA-N 395.408 0.666 0 50 GCAA O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 329702432 IDOGTARFXMKYOP-MSOLQXFVSA-N 399.557 0.950 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1c(F)cc(F)cc1F 1704325363 KRZIGXGWYCLFHF-LKFCYVNXSA-N 380.388 0.669 0 50 GCAA CSCC(=O)N[C@@]1(C)CC2(CCN(C(=O)c3[nH]nnc3C)CC2)OC[C@@H]1O 1772705951 UGGCEBGRQSAVGP-LRDDRELGSA-N 397.501 0.107 0 50 GCAA CN1CC[C@]2(C(=O)NCCCO)CCCN(C(=O)c3ccc(O)cc3F)[C@H]2C1 1857692796 UYUHHFPLDQSGOM-FXAWDEMLSA-N 393.459 0.956 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N(C)Cc3nncn3C)CC2=O)s1 1857731685 WZLUYDZZZGAKGS-SNVBAGLBSA-N 379.446 0.215 0 50 GCAA CCc1nccn1CCC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccnc2)C[C@H]1O 1940196293 ZEVWSGWDHBDQFD-GVDBMIGSSA-N 385.468 0.803 0 50 GCAA O=C1C[C@H]2CCCCN2CCCN(C(=O)CCc2nc(O)n[nH]2)CCCCN1 2100534072 SCDJOYOFAPAAFY-OAHLLOKOSA-N 392.504 0.816 0 50 GCAA Cc1nnc(CCNC(=O)[C@H]2CC[C@@H](NC(=O)Cn3cccn3)[C@H](O)C2)s1 2100540140 DZCZDMDFZPWAGX-BFHYXJOUSA-N 392.485 0.048 0 50 GCAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCNC[C@@H]1C1CCC1 2325774920 GZDYMKUYUJADAW-OAHLLOKOSA-N 377.466 0.822 0 50 GCAA CN=c1nc(C(=O)N2CCCC2)c2c([nH]1)CCN(c1ncc3c(ncn3C)n1)C2 2356138466 MSIKIFYBCILQON-UHFFFAOYSA-N 393.455 0.416 0 50 GCAA COc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851766 CSNZJKMJENQLOP-UHFFFAOYSA-N 377.788 0.734 0 50 GCAA CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@H](COC(C)=O)[C@@H]1OC(C)=O 5900323 KXCZDMXWZFGETJ-NLEPDTAZSA-N 395.408 0.666 0 50 GCAA CCOC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC 12437884 PQJCSNOBDXSOFF-HNNXBMFYSA-N 377.441 0.455 0 50 GCAA O=C1CN(c2ccc(C(=O)NCC[C@H]3COc4ccccc4O3)cn2)CCN1 14967448 MNLHPZQTQJNAGW-HNNXBMFYSA-N 382.420 0.978 0 50 GCAA C1CCC(CNc2nc3nonc3nc2N2CCOCC2)(N2CCOCC2)C1 19835456 QAOFRDFTADNUFW-UHFFFAOYSA-N 389.460 0.906 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3nccn3C)CC2)C1 71749420 NYDPWCLFTXFVGW-OAHLLOKOSA-N 377.489 0.499 0 50 GCAA CN(C[C@H](O)CO)c1ccnc(N2CCN(Cc3cccc(F)c3)CC2)n1 95512448 DRRSAZVZQPRTGG-KRWDZBQOSA-N 375.448 0.727 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(CC)c(=O)c2)CN1C(C)=O 96137078 WXSKPTSLCWCSDY-CVEARBPZSA-N 376.457 0.456 0 50 GCAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(C3CC3)no1)C2 222686096 GQCQKKJJLUMWGS-AWEZNQCLSA-N 380.426 0.483 0 50 GCAA CSc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cn1 247946077 JYHJEDXSQFWUCH-YPMHNXCESA-N 385.515 0.541 0 50 GCAA COc1cccc(C(=O)NCCC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 299774683 IRUBINBKKVSKDV-DLBZAZTESA-N 385.424 0.779 0 50 GCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 299800114 VATRJAHOQXVNHY-STQMWFEESA-N 376.866 0.828 0 50 GCAA COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@H]3CN)cc2S1(=O)=O 408519255 GKZACWTVQSCARX-SWLSCSKDSA-N 395.481 0.677 0 50 GCAA Cc1nonc1CC(=O)N1CCOC2(CCN(C(=O)c3cscn3)CC2)C1 827969791 QLBVQGUMOINTMG-UHFFFAOYSA-N 391.453 0.911 0 50 GCAA O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 828388867 UDADSVYGIYOILF-UHFFFAOYSA-N 397.526 0.833 0 50 GCAA C[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1nnc(O)c2ccccc12 952965696 FZXNZHJADFCZAQ-LLVKDONJSA-N 378.454 0.979 0 50 GCAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C[C@@H](O)CN(C)C)CC1 1506400067 LUPLAKGZPJKFJN-INIZCTEOSA-N 385.530 0.541 0 50 GCAA COc1ccc(F)c(F)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704338296 QOVHJXFHDKLENF-ONGXEEELSA-N 378.397 0.610 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 1857702391 LOZXDGDLLBWHQO-INIZCTEOSA-N 395.441 0.320 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)NC2CCN(c3cccnn3)CC2)C1 1857706937 CHCSWUJUSNSQIF-CYBMUJFWSA-N 388.515 0.190 0 50 GCAA COc1cc(CC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc(OC)c1OC 1857738214 XEZZKLHRFNHLHN-KGLIPLIRSA-N 378.425 0.571 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)c2ccc(OC[C@H]3C[N@]3CC3CC3)cc2)CC1 1875385123 NBKXJNZSFWIUJZ-UTKZUKDTSA-N 393.509 0.877 0 50 GCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c(C)cnn3COC)C2)n1 1875397173 OPDMEEXCBOQFTB-OAHLLOKOSA-N 387.488 0.930 0 50 GCAA CC[C@@H](C)n1c(SCC(=O)N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 678149 WSRSMDOXPUHGNS-LLVKDONJSA-N 395.485 0.356 0 50 GCAA Nc1nnc(SCC(=O)NCc2ccco2)n1CC(=O)NCc1ccco1 1789885 GFARPCHYQKJOTK-UHFFFAOYSA-N 390.425 0.771 0 50 GCAA NS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 18325102 SLSRUSFBOCFLHK-AWEZNQCLSA-N 377.397 0.895 0 50 GCAA COc1ccc(-n2cccn2)c(CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72432817 JMYREHCHSFZZDY-MSOLQXFVSA-N 376.482 0.794 0 50 GCAA Cn1cnc(S(=O)(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1 91707555 PEROSSKNPSXDJM-HNNXBMFYSA-N 396.513 0.992 0 50 GCAA Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c(=O)[nH]c1C 91943524 UUIUFMSQJIZTCN-YALNPMBYSA-N 377.485 0.781 0 50 GCAA CCCN1CCN(C(=O)C2=C(C)N3CCN=C3S2)[C@H]2CS(=O)(=O)C[C@H]21 95500240 HZNQHIXHVIKZQV-OLZOCXBDSA-N 384.527 0.356 0 50 GCAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 239235634 WJVSUUOYTGGIPB-OLPIVMHESA-N 385.372 0.948 0 50 GCAA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 277650397 YHXUZIJXQDENRD-NVXWUHKLSA-N 395.481 0.807 0 50 GCAA NC(=O)[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 372145887 FZMQHFNAMXPBCR-KRWDZBQOSA-N 383.404 0.921 0 50 GCAA Cc1cc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nc(N)n1 426396326 AQNFJIGODFHFFF-CQSZACIVSA-N 386.504 0.836 0 50 GCAA CN1CC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 849511290 OVXIORPUXCGENL-IAGOWNOFSA-N 380.456 0.748 0 50 GCAA COc1cccc(N2CCN(C(=O)c3cc4n(n3)CCN(C)C4=O)[C@H](C)C2=O)c1 1857672774 HUTIUNKGOXQTDG-CYBMUJFWSA-N 397.435 0.855 0 50 GCAA COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)[C@@H]1CCn3nccc3C1)CC2 1857740117 IUWBQMUNLCQZEU-GFCCVEGCSA-N 386.408 0.184 0 50 GCAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cn1cncn1 1875261708 SEABRHQEMYGCTJ-SNVBAGLBSA-N 388.833 0.850 0 50 GCAA NS(=O)(=O)CCOC1CN(c2ncnc3c2cnn3-c2ccccc2F)C1 2325825168 HCAVYCDIABCKCG-UHFFFAOYSA-N 392.416 0.448 0 50 GCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cnc(-c4ccccc4)n3C)C[C@@H]12 2356149121 KVHWJGADCGDRME-XIRDDKMYSA-N 388.493 0.886 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc(C(N)=O)cn3)C1)CC2 2356159937 WPFJUKSQKYJWMG-LJQANCHMSA-N 381.440 0.552 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3ccnc(-n4cnnc4)c3)C2)nn(C)c1=O 67872882 DYNYCWMFRVOFGY-CQSZACIVSA-N 382.428 0.597 0 50 GCAA CN1CCN(C[C@@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@@H]2CO)CC1 95370804 GLHUPCTYPWNXQP-IAGOWNOFSA-N 384.484 0.195 0 50 GCAA CCC(=O)N1CCN(Cc2cccc(OC)c2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 216514261 QJMNSRXYSSXRRT-CABCVRRESA-N 382.482 0.924 0 50 GCAA COc1ccccc1-n1cc(C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 222062157 JTBANHVVRDTUND-HIFRSBDPSA-N 376.438 0.092 0 50 GCAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C2)nc(N)n1 252481527 CNMXQXOVJIKZAN-KVVVAFMNSA-N 385.476 0.810 0 50 GCAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OC)c(CO)c2)c1O 253623774 KNJMBPDXYVTLQR-NSHDSACASA-N 376.365 0.788 0 50 GCAA biogenic CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cnn(C)c2C)cn1 330211253 IZVCNONYPOBFND-CYBMUJFWSA-N 387.487 0.105 0 50 GCAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)C1 363101153 HEGUVCYEBUGTNV-UONOGXRCSA-N 398.485 0.306 0 50 GCAA Cc1cccc(Cl)c1OCCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 426473738 XKEYOOBMYPNLAX-NSHDSACASA-N 378.816 0.758 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)n1 426529262 KAMAYUKUZUUQPQ-TZMCWYRMSA-N 395.437 0.606 0 50 GCAA CO[C@H]1CCCN(C(=O)C[C@H]2CN(C(=O)C3CC(C)C3)CCS2(=O)=O)C1 952880544 GOHVELMMEDOMNF-CKUJCDMFSA-N 386.514 0.686 0 50 GCAA O=C1CCC(C(=O)N2CCC[C@@H](CNC(=O)c3cn4ccccc4n3)C2)=NN1 952968360 BZBCXVMUIOJWGD-ZDUSSCGKSA-N 382.424 0.569 0 50 GCAA O=C(COc1ccccc1)N1C[C@@H]2CN(C(=O)Cc3ccncc3)C[C@]2(CO)C1 1772712827 ZYYGFFJCVGXZQC-PGRDOPGGSA-N 395.459 0.982 0 50 GCAA Cn1cncc1CC(=O)N[C@]12CCC[C@H]1N(c1ncnc3c1cnn3C)CC2 1775990288 FMWWVOMNGAROAU-BEFAXECRSA-N 380.456 0.957 0 50 GCAA O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCCN1 1875267874 JWLHAHXZSYXXQS-UHFFFAOYSA-N 381.376 0.737 0 50 GCAA O=C(NCCN1C(=O)CSC1=O)[C@H](O)Cc1ccncc1Br 1875292677 PFBYLRUFCWKPOG-SNVBAGLBSA-N 388.243 0.559 0 50 GCAA C=CC(=O)N(C)c1ccc(C(=O)N2CCn3ncc(S(N)(=O)=O)c3C2)cc1 1875373555 FSSRZXYXFRTJHD-UHFFFAOYSA-N 389.437 0.335 0 50 GCAA O=C([C@H]1CCn2c(cnc2-c2ccccc2)C1)N1CCS(=O)(=O)[C@@H](CO)C1 2325810987 VSHWGJUSIZWWFQ-DOTOQJQBSA-N 389.477 0.730 0 50 GCAA CC(=O)NCCC(=O)N1CCN(C(=O)CSc2ccccc2O)C[C@H](O)C1 2325878389 NTHICBNHWJSREI-CQSZACIVSA-N 395.481 0.042 0 50 GCAA NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 892889 RVBIHRGXDKNPKO-UHFFFAOYSA-N 387.417 0.289 0 50 GCAA COc1cc(COC[C@@H](O)CN2CCN(CCO)CC2)cc(OC)c1OC 19770857 KBYQIWIUNMYULX-INIZCTEOSA-N 384.473 0.200 0 50 GCAA CN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 20999433 MUYVHBDTYIBOAG-QGZVFWFLSA-N 382.530 0.993 0 50 GCAA Cc1nc[nH]c1CN1CCN(C(=O)c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 77298368 AHEMXORLGIJKHQ-SJORKVTESA-N 390.465 0.547 0 50 GCAA CNC(=O)c1noc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 91575467 UCCPLLTXCVLDEN-CQSZACIVSA-N 391.472 0.813 0 50 GCAA Cc1ccc(OCCN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1C 96153405 CNGPIENJLFFJEF-CRAIPNDOSA-N 382.482 0.960 0 50 GCAA Cc1nc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)c2cnn(C)c2n1 114803537 SKBNAXJDOPXCJR-OAHLLOKOSA-N 386.456 0.964 0 50 GCAA CCCn1c(N)c(C(=O)CN2CCN(C3CCC(C)CC3)CC2)c(=O)[nH]c1=O 115568339 DRMRVEKCUBLODV-UHFFFAOYSA-N 391.516 0.908 0 50 GCAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2nncn2c1 184506361 OCNPPRRTFRAOAC-QGZVFWFLSA-N 379.420 0.929 0 50 GCAA Nc1cc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)ncn1 214885961 XDYGTKYQVDRNMY-OALUTQOASA-N 382.512 0.859 0 50 GCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 223783547 VBEHPHRYBIDCGZ-GHMZBOCLSA-N 378.303 0.242 0 50 GCAA Cc1ccc(N2CC[C@H](N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)C2=O)cc1 225669732 LWXNKDZQLBKKSJ-INIZCTEOSA-N 389.481 0.830 0 50 GCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 268985260 QAADEARLKRLSOP-QGZVFWFLSA-N 393.509 0.610 0 50 GCAA CCn1nccc1S(=O)(=O)NC1CCN(c2ccc(C(=O)O)cn2)CC1 284908095 BDOJAGINIORAMU-UHFFFAOYSA-N 379.442 0.944 0 50 GCAA O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@@H]1CCc2[nH]nnc2C1 285237198 QERMPKHRRFHMBC-GFCCVEGCSA-N 393.444 0.905 0 50 GCAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)COCCc2ccccc2)cn1 328627526 MVKWNTFRXVKWRA-KRWDZBQOSA-N 377.466 0.978 0 50 GCAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)C1 439585139 YAEJXSNSURWPJF-MRXNPFEDSA-N 397.483 0.637 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1 507705875 KIWUQFGOZWIAAR-HNNXBMFYSA-N 380.470 0.371 0 50 GCAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)N1CCN(c2ncc[nH]c2=O)CC1 584893301 UQTURCAMUCHVEV-MRXNPFEDSA-N 390.488 0.245 0 50 GCAA CN1CCN(c2nccc(CNC(=O)N3CC[C@]4(CCCN(C)C4)C3)n2)CC1 888102538 SVKCVBJKUIRJJQ-FQEVSTJZSA-N 387.532 0.856 0 50 GCAA CN1CC(=O)N2CCN(C(=O)C3(N4CCCCC4)CCCCC3)C[C@H]2C1=O 952865602 SPDFTBWIUJJDGK-INIZCTEOSA-N 376.501 0.687 0 50 GCAA Cc1cccc(CN2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)n1 1565525139 MAMOQBOKPXQVKG-MSOLQXFVSA-N 386.477 0.909 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1=Cc2ccccc2OC=C1 1565525295 LMGMTRBUZWEVIR-ORQFMDKSSA-N 376.434 0.797 0 50 GCAA O=C([C@@H]1CC[C@H](NS(=O)(=O)N2CCc3ccccc3C2)C1)N1CCOCC1 1565528143 YVWFBIOAFZKFBI-AEFFLSMTSA-N 393.509 0.907 0 50 GCAA CC(C)CN1CCC(N2C[C@@H]3COC[C@H](C2)N(C(=O)c2cnn[nH]2)C3)CC1 1772705863 SLDKBKRNIGYHSK-RDJZCZTQSA-N 376.505 0.698 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)[C@H]3CCCCn4nnnc43)CC2)NC1 1772806096 ZAEROSBKERCNCJ-ZDUSSCGKSA-N 375.477 0.047 0 50 GCAA Cc1nccn1CCC(=O)N1C[C@H]2CN(C(=O)c3cncc(O)c3)C[C@]2(CO)C1 1772807348 TXSPZSQULYHROG-JXFKEZNVSA-N 399.451 0.275 0 50 GCAA Cc1noc(C)c1CCC(=O)N1C[C@H]2CN(Cc3nccn3C)C[C@@]2(CO)C1 1772811026 QZFKEKJSSSUFRT-UZLBHIALSA-N 387.484 0.910 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCCc3cnn(C)c3)CC2=O)s1 1857736204 ZWBQILJFFPMPEH-ZDUSSCGKSA-N 392.485 0.910 0 50 GCAA Cc1conc1CN1C[C@H](CC(=O)N[C@H](C)c2nnnn2C)OCC12CCC2 2325785197 JNZWGXHRLYEPBS-KGLIPLIRSA-N 389.460 0.898 0 50 GCAA Cn1c(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc(=O)n(C)c1=O 2356133830 GQGNIKXOPYVWFN-UHFFFAOYSA-N 375.450 0.850 0 50 GCAA Cn1c(=O)c2cc(C(=O)NC[C@H]3CCCO3)n(Cc3ccco3)c2n(C)c1=O 11844870 SYEJFIIYLGGGMZ-GFCCVEGCSA-N 386.408 0.589 0 50 GCAA c1cnc(N2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)cn1 11949758 RGIVYYFGFBPOMY-UHFFFAOYSA-N 385.457 0.683 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O 12556921 MXTSBPZYVDGUCL-UHFFFAOYSA-N 383.408 0.920 0 50 GCAA CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 18094218 MKJDJJSJILOYSN-SNVBAGLBSA-N 383.455 0.509 0 50 GCAA C[C@H](Cc1cnccn1)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67654939 BHZDJGCGENHUEV-SECBINFHSA-N 382.467 0.792 0 50 GCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C(=O)O)C1 96151101 XEXBKZSHKDXHSY-KSSFIOAISA-N 390.465 0.818 0 50 GCAA Cc1cc(S(=O)(=O)NCC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)ccc1F 221256777 OTJUHURZVCBHIC-MRXNPFEDSA-N 385.417 0.466 0 50 GCAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1 262407063 BPTBDHSVHQVVAC-SJKOYZFVSA-N 376.409 0.997 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1 275298372 MNZAJINEYNKDPC-KRWDZBQOSA-N 392.437 0.589 0 50 GCAA CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 408257956 UARPBFXCSPATNE-CAOSSQGBSA-N 386.495 0.735 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc(OC(F)F)c1 1704302460 LTTZRIIORFMFFA-WCQYABFASA-N 378.397 0.924 0 50 GCAA Cn1nc(C2CC2)cc1C(=O)N1CCO[C@](C)(CNC(=O)C2=COCCO2)C1 1775992629 UTHXZWRTGBSAFP-LJQANCHMSA-N 390.440 0.533 0 50 GCAA Cc1nc2cc(N3C[C@H](C(=O)N[C@H]4CCC(=O)NC4=O)CC3=O)ccc2s1 1857798171 SEGYIBNFIADCDG-PWSUYJOCSA-N 386.433 0.879 0 50 GCAA CCC1(C(=O)N2C[C@@H]3CC[C@H](C2)N3CCNS(=O)(=O)CC)CCOCC1 2325793959 MMWYOYCISLFMQW-IYBDPMFKSA-N 387.546 0.808 0 50 GCAA Cn1nc2c(c1C(=O)NCCN1CC[Si](C)(C)CC1)CS(=O)(=O)CC2 2325800468 JNSRYVASHDEWAP-UHFFFAOYSA-N 384.578 0.645 0 50 GCAA N=c1[nH][nH]c(=NC2CCN(c3ncnc4c3cnn4-c3ccccc3F)CC2)[nH]1 2325825061 BKRZLGFIELQURE-UHFFFAOYSA-N 394.418 0.988 0 50 GCAA COc1nc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccccc3)C2=N)n1 3087634 CNTQJFZAJBNWDF-UHFFFAOYSA-N 377.430 0.392 0 50 GCAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 65387324 SCZLALGVDKXOKC-INIZCTEOSA-N 379.420 0.992 0 50 GCAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@@H]1CC(=O)N(CCO)CCO 72154384 IQKCTJGFQTYKTE-LJQANCHMSA-N 385.464 0.344 0 50 GCAA CCc1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cc(=O)[nH]1 91254910 OZEWFJYKXKRKOD-HXUWFJFHSA-N 377.485 0.873 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccc(C(=O)O)cc3)C[C@@H]2C1 95366506 YTMKWIOXMLZAKT-SJLPKXTDSA-N 397.497 0.450 0 50 GCAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1C(=O)O)C2 222786811 JITUPKIQGWZZDZ-INIZCTEOSA-N 379.438 0.675 0 50 GCAA O=C(NCCSc1ccccc1)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 247791569 OMICVZOUQWRJIC-HOTGVXAUSA-N 377.510 0.979 0 50 GCAA COc1ccc(C(=O)N2CCN(C(=O)NCCN(C)S(C)(=O)=O)CC2)cc1 584891118 NCLZFFVADSJHRS-UHFFFAOYSA-N 398.485 0.054 0 50 GCAA Cc1c(S(=O)(=O)N2CCC[C@@H](CNC(=O)C3CCOCC3)C2)cnn1C 1506420312 BTWCWRHNYPIWKD-AWEZNQCLSA-N 384.502 0.672 0 50 GCAA O=C1CCc2cn(nn2)CCOc2cccc(c2)CC(=O)N2CCC(CC2)N1 1704315989 HYJOFLBTJSLRCM-UHFFFAOYSA-N 383.452 0.953 0 50 GCAA CN(C)S(=O)(=O)CCNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857673668 QSGTWKDAOIIYIY-CYBMUJFWSA-N 395.485 0.837 0 50 GCAA Cc1cc(C)n(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c(=O)n1 1857722134 PDNMIILFXPSSHZ-WMZOPIPTSA-N 388.472 0.124 0 50 GCAA CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857729473 CENNEVXTEYPKHM-PBHICJAKSA-N 380.422 0.585 0 50 GCAA CCOC(=O)[C@]1(F)CN(C(=O)N2CCOC[C@@H]2c2cnn(C)c2)CC12COC2 1875318619 JIBBWQGDLPQUCF-RDTXWAMCSA-N 396.419 0.517 0 50 GCAA NC[C@H]1C[C@@H](O)CN1c1cc(N2CCN(c3c(F)cncc3F)CC2)ncn1 1875397076 KBRBSAADITXVPZ-CHWSQXEVSA-N 391.426 0.375 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cc(-c4ccco4)n(C)n3)C2)cc[nH]1 1875397682 KEVWOVJGFOHPRC-PBHICJAKSA-N 383.456 0.927 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)N2CCNC(=O)C2)CC[C@H]1N=c1ccnc(SC)[nH]1 2100547600 LUCUBPTUFHXVQC-YNEHKIRRSA-N 379.486 0.174 0 50 GCAA CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H]4COC[C@@]4(CO)C3)ccc21 2356145331 LJTOWAUWWXCOCJ-YJBOKZPZSA-N 380.466 0.615 0 50 GCAA CN(CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 42385937 VSIKLQWIBQRTQU-KRWDZBQOSA-N 376.482 0.650 0 50 GCAA Cn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cn1 55071491 GPUGKKXWJHUHCB-OAHLLOKOSA-N 377.395 0.705 0 50 GCAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3[C@@H]4C=C[C@@]5(CN(C)C(=O)[C@@H]35)O4)CC2)nc1 67713473 WXLCPYPVAAKXTM-WGVRVLLMSA-N 383.448 0.612 0 50 GCAA O=c1oc2ccccc2n1Cc1cn(CCS(=O)(=O)N2CCCC2)nn1 91587467 CLHNVGAPEVNNMW-UHFFFAOYSA-N 377.426 0.660 0 50 GCAA CS(=O)(=O)CCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccn2)C1 216899670 HNTNVTUBZWSTMG-WBVHZDCISA-N 393.509 0.898 0 50 GCAA O=C(CN1CCN(C(=O)[C@@H]2CCc3[nH]ncc3C2)CC1)Nc1nncs1 270261469 WACWKHDWOLIVGX-LLVKDONJSA-N 375.458 0.149 0 50 GCAA NS(=O)(=O)c1cc(F)cc(C(=O)N2CCC[C@@H]2C(=O)O)c1Br 299746224 VWKIYQKPFYZCPL-MRVPVSSYSA-N 395.206 0.925 0 50 GCAA NS(=O)(=O)c1cnn(CC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1 377315811 GDVWXVWJXFFTHA-CQSZACIVSA-N 375.454 0.194 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2onc3c2CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 426381738 RJNCCOKUEPBHIU-UONOGXRCSA-N 396.469 0.158 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)CCC1=O 952965217 SOGMCUHMDFHHNB-LBPRGKRZSA-N 379.379 0.495 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)N1CCN(C)CC1 1322845576 HVGFUHWYBVMPSN-UHFFFAOYSA-N 384.502 0.098 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@@H]1O 1529158417 CANIRYSXAPNABP-HOTGVXAUSA-N 383.518 0.151 0 50 GCAA COc1cc(CN2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)cc2c1OCO2 1565529257 KEWHOKDWXOVTQU-KSSFIOAISA-N 398.481 0.642 0 50 GCAA O=C(NCC(=O)N1C[C@@H]2CN(Cc3ccncc3)C[C@]2(CO)C1)c1ccccc1 1772811276 SQTQQLMKHLGJSJ-SIKLNZKXSA-N 394.475 0.764 0 50 GCAA C[C@H]1[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CCCN1C(=O)C1=COCCO1 1775989841 SUWHGKHPUNNDAH-AAEUAGOBSA-N 386.412 0.361 0 50 GCAA Cc1cccc(N=c2[nH]c(CN3CCC4(CC3)CC(=O)NCCO4)nc(=N)[nH]2)c1 1857690504 LGMMHQVNFXZYNH-UHFFFAOYSA-N 397.483 0.629 0 50 GCAA Cc1ccc2[nH]c(C(=O)N[C@@H]3C[C@H](C(=O)NCCn4cncn4)C[C@H]3O)cc2c1 1875250824 KBQBDPYENOSXQE-YXJHDRRASA-N 396.451 0.754 0 50 GCAA O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O)NCCO 2049252076 LEYNGOBTFQPDRU-ZDUSSCGKSA-N 397.387 0.759 0 50 GCAA CCn1ncnc1C(=O)N[C@](C)(CNC(=O)[C@H]1CCCCN1C(C)=O)C1CC1 2325823202 JSWWDPPXFLPSNG-DNVCBOLYSA-N 390.488 0.714 0 50 GCAA C[C@]1(CNC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCNC1 2325896035 PFWYSLFKDYXZFB-QRWLVFNGSA-N 384.436 0.177 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)CC2)CC[C@H]1O)c1ccccc1 2356140950 SGSIDABFRUONMN-ARFHVFGLSA-N 380.466 0.203 0 50 GCAA O=S(=O)(C[C@H]1COCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356147846 STCVBSRHZKCUBR-MRXNPFEDSA-N 392.481 0.472 0 50 GCAA NS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 4719639 XPXGSNCOGQREDT-HNNXBMFYSA-N 377.397 0.895 0 50 GCAA CSc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 65363320 CBRNJZQCWFEATB-UHFFFAOYSA-N 387.527 0.623 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(C)(C)O)CO2 71763765 HKXZYANHXQTPDB-AWEZNQCLSA-N 379.457 0.537 0 50 GCAA O=C([C@H]1CCOC1)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77505669 DHYWWRVYBYEVQW-HNNXBMFYSA-N 380.466 0.629 0 50 GCAA CN1CCCN(c2cnn(CC(=O)N(C)Cc3nccs3)c(=O)c2)CC1 95499112 UVJSAKINQNGQJZ-UHFFFAOYSA-N 376.486 0.500 0 50 GCAA Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)c3[nH]nc4c3CN(C)CC4)C2)no1 95502593 PLTUUDUUQNPQHI-CYBMUJFWSA-N 386.456 0.976 0 50 GCAA CCCc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)n(C)n1 95510209 NMNGZBJDWGOIFZ-DZGCQCFKSA-N 375.473 0.524 0 50 GCAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@@H]2CNCC(=O)N2)CC1 95526008 TWLMIRFQUQFMDF-SFHVURJKSA-N 386.496 0.752 0 50 GCAA O=C(c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1)N1CCOC[C@@H](O)C1 244817130 SUSWZRLVXBQTHI-KKUMJFAQSA-N 375.425 0.639 0 50 GCAA COCC(=O)N1CCN(Cc2cncn2C2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 247852447 SBNADNKEGBWRGE-SJORKVTESA-N 396.513 0.454 0 50 GCAA COc1ccc(CN2C(=O)O[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]32)cc1OC 247947418 KGJBQYYMHVIZFQ-DOMZBBRYSA-N 385.442 0.515 0 50 GCAA CNc1ccc(-c2cccc(C(=O)N3CCC4(CC3)NC(=N)NC4=O)c2)nn1 534586748 AJTWDDZQZKKESY-UHFFFAOYSA-N 379.424 0.814 0 50 GCAA CC1CCN(C(=O)C2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1 735038349 ZQMFFIIHBONFSH-UHFFFAOYSA-N 376.457 0.195 0 50 GCAA Cc1ccc2nc(COC(=O)[C@@H](CO)NC(=O)c3ccccc3)cc(=O)n2c1 917501905 HMZCZWMAHWCZQJ-MRXNPFEDSA-N 381.388 0.837 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 952986515 GKUUITRFLGJFPX-UHFFFAOYSA-N 381.498 0.523 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)N3CCOC4(CCNCC4)C3)CC2=O)s1 1857738410 GYTKXASJYBUORK-CYBMUJFWSA-N 393.513 0.825 0 50 GCAA O=C(Cc1cc(O)nc(O)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1875257087 ROEFGWPGXZQYAD-CQSZACIVSA-N 377.422 0.646 0 50 GCAA O=C(CN1CCc2nc[nH]c2[C@]12CCNC2)NCc1cnn(-c2ccccc2)c1 2325774212 PVTJPQDOPMZIDH-OAQYLSRUSA-N 391.479 0.959 0 50 GCAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N1CCC(CN2CCOCC2)CC1 20211233 KMIWNDKYJLCPJM-LJQANCHMSA-N 392.544 0.714 0 50 GCAA CN1C[C@@H](NC(=O)C2CCCC2)C[C@H]1C(=O)NCc1cn2c(n1)SCC2 67787935 CIVIYSLWFHGFLU-ZFWWWQNUSA-N 377.514 0.984 0 50 GCAA COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 72140679 OBTMRGLPBWYWPD-UHFFFAOYSA-N 385.486 0.709 0 50 GCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCS(=O)(=O)CC2)[C@@H]3C1=O 77521592 PHWWQOXCOARZOY-LWGWVAHUSA-N 382.482 0.072 0 50 GCAA Cc1nnnn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95507704 CMHJPTPIBFSWLJ-UHFFFAOYSA-N 384.444 0.017 0 50 GCAA CN1CCN(c2cc(NCCNC(=O)c3c(F)cccc3F)ncn2)CC1=O 170599620 HRZIOGMCBPGPOJ-UHFFFAOYSA-N 390.394 0.875 0 50 GCAA Cc1cc(=O)n(CCN2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)c(O)n1 253536739 MRADGCWNROCMCH-UHFFFAOYSA-N 386.408 0.330 0 50 GCAA 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1772805299 JMVRSUKQCBZJDS-MLGOLLRUSA-N 388.873 0.428 0 50 GCAA O=C(NCC[C@H]1COCCN1C(=O)c1nnc2n1CCCC2)C1CCOCC1 1857679785 VLZKMFZAKPNIMU-HNNXBMFYSA-N 391.472 0.388 0 50 GCAA COc1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCc3cnccn3)C[C@H]2O)ccc1F 1875247268 IEGUFZHGWLQSMU-APHBMKBZSA-N 388.399 0.810 0 50 GCAA CC(=O)NCC12CC(C(=O)NCCO[C@H]3CC3(F)F)(C1)C1(CCNCC1)O2 1875393364 LNTUFWLKBLBGDA-JEYLPNPQSA-N 387.427 0.334 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCc2cscn2)C[C@H]1NS(=O)(=O)N(C)C 2100556694 PGMGTAGVZNBOGF-IACUBPJLSA-N 390.531 0.382 0 50 GCAA CC(C)[C@H](NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 4545849 FVGOGEGGQLNZGH-FMKPAKJESA-N 393.440 0.131 0 50 GCAA biogenic CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccccc3F)[C@@H]2SC1 6318103 YTGHOZCLARAFPJ-WBMJQRKESA-N 394.380 0.741 0 50 GCAA Cc1c(CNC(=O)c2cn(C)nc2C(=O)NCc2cnn(C)c2C)cnn1C 20617349 OLGLFWKBPKEXCO-UHFFFAOYSA-N 384.444 0.364 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCc1nc(-c2ccncc2)n[nH]1 72152000 LJWGFYASRULIDB-OAHLLOKOSA-N 383.456 0.616 0 50 GCAA CC(C)=CCN1CCN(C(=O)Cn2cc(Cl)cn2)[C@H]2CS(=O)(=O)C[C@H]21 72467870 RFVAFGULMBOBPR-CABCVRRESA-N 386.905 0.813 0 50 GCAA O=C(Cn1cccnc1=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91365182 IMMYJUMOQTUIII-UHFFFAOYSA-N 398.467 0.440 0 50 GCAA CN(C(=O)c1ccc(-c2noc(C3CC3)n2)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 215487156 ZQCAISUCEDQAPM-ZIAGYGMSSA-N 377.422 0.844 0 50 GCAA CCn1ncc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 226567577 UMBQYGUNYYKHTO-SYQHCUMBSA-N 392.412 0.192 0 50 GCAA Cc1cc(C)n2nc(C(=O)N3C[C@@H]4CC[C@H]3CN(S(C)(=O)=O)C4)cc2n1 247528712 OAVGRXUBVLYBFL-KGLIPLIRSA-N 377.470 0.842 0 50 GCAA C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCC(Cc2ccccc2)CC1 253400600 XDLUBNLEPYAPSD-CQSZACIVSA-N 379.482 0.875 0 50 GCAA COc1ccc2c(c1)C=C(C(=O)N1CCO[C@H](CN(C)CC(=O)O)C1)CO2 262896627 HPBCWHDXJSPERA-MRXNPFEDSA-N 376.409 0.715 0 50 GCAA CS(=O)(=O)c1ccccc1C(=O)Nc1cnn(CCN2CCOCC2)c1 264264985 DZHYUUXHMJETEC-UHFFFAOYSA-N 378.454 0.871 0 50 GCAA CC(C)NS(=O)(=O)N1CCCC2(CCCN(S(=O)(=O)NC(C)C)C2)C1 377821925 TUFPMTPMDOCVGT-UHFFFAOYSA-N 396.579 0.650 0 50 GCAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCS(=O)(=O)CC2)c1 426510189 UANMBZKTPQZQMQ-KRWDZBQOSA-N 393.509 0.379 0 50 GCAA O=C(Cn1cc(C[C@@H]2NC(=O)NC2=O)nn1)N[C@H]1CCC[C@H]1Cc1ccccc1 952744970 AOVXQOOBYDUZLQ-XIRDDKMYSA-N 396.451 0.556 0 50 GCAA COc1cc(N2CCC(CNC(=O)CN3CCCN(C)CC3)CC2)nc(N)n1 952985487 BYNXZIDNAHFVFT-UHFFFAOYSA-N 391.520 0.038 0 50 GCAA Cc1nn(CCO)cc1CN1C[C@@H]2CN(c3ccncc3F)C[C@@]2(CO)C1 1772804280 KUTSJFCPGGRABH-VQIMIIECSA-N 375.448 0.649 0 50 GCAA CN1CC[C@]2(C(=O)NCCOCCO)CCCN(C(=O)c3ccccn3)[C@H]2C1 1775980424 APFLGTUFBFUGTI-FXAWDEMLSA-N 390.484 0.133 0 50 GCAA C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)CN(Cc2cc(O)ccc2Cl)CCO1 1775986949 LSFBZWLRLGOJPK-PMUMKWKESA-N 381.860 0.874 0 50 GCAA Cc1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)N3CCCCCC3)C2)n(C)n1 1857681876 PLORTPVFWMGFRU-CRAIPNDOSA-N 396.513 0.768 0 50 GCAA CNC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857725186 LYTURILRYCETFS-ZDUSSCGKSA-N 387.465 0.686 0 50 GCAA Cc1nccn1CC(=O)N1CC(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 1875328197 FFYKLTAZHBZCAJ-UHFFFAOYSA-N 397.483 0.003 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CC(=O)N[C@H](c3ccccc3)[C@H]2C(=O)OC)CC1 1875370341 KXOGBRRQZUPANS-MOPGFXCFSA-N 399.447 0.652 0 50 GCAA CCc1nc(CN(C)C(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cs1 1875393389 MBLZXZALGWRUFW-OAHLLOKOSA-N 397.526 0.956 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cnc(O)nc3O)C1)CC2 2356154668 FHBAEQIYQBSWIK-LJQANCHMSA-N 384.440 0.793 0 50 GCAA CC[C@@]1(C(=O)OC)N[C@H](c2ccc(S(C)(=O)=O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65435649 IRKLDHHCTJKDEW-UHQDVWGKSA-N 394.449 0.287 0 50 GCAA CN(C[C@H]1COCCO1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67981667 DTLAKAMERLEYLE-VIFPVBQESA-N 376.456 0.128 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(CO)CC2)c1 72121693 GUDHWCDOIWMSSE-SFHVURJKSA-N 375.469 0.617 0 50 GCAA COCC(=O)NCc1cc2n(n1)CCCN(CC(C)(C)N1CCOCC1)C2 82156106 ACFMMRGWCNWTON-UHFFFAOYSA-N 379.505 0.462 0 50 GCAA CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)cn1 95361791 HKINQTNMYFTOOH-OAHLLOKOSA-N 378.454 0.900 0 50 GCAA COCCc1nc(-c2cc3c([nH]c2=O)CCC3)n([C@@H]2CCS(=O)(=O)C2)n1 96152231 RWYQNXNZRQTRRK-GFCCVEGCSA-N 378.454 0.671 0 50 GCAA CN(CCn1cccn1)C(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 97360177 HXWVDDPHWQMZMV-OAHLLOKOSA-N 378.454 0.411 0 50 GCAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 261793097 USQDPVUXULYOKA-ZDUSSCGKSA-N 388.453 0.258 0 50 GCAA Cc1cc(N2CC[C@H](NC(=O)c3cccnc3N3CCOCC3)C2=O)n(C)n1 266357764 GUSGGQZFNWYEHQ-HNNXBMFYSA-N 384.440 0.495 0 50 GCAA Cc1cccc(OCCN2CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C2)c1 328603376 FYZCLBGHXMPSMM-MRXNPFEDSA-N 386.470 0.421 0 50 GCAA COc1cncc([C@H](NC(=O)c2c[nH]c3cc(C)nn3c2=O)[C@H]2C[C@H](O)C2)c1 334159462 QKJRQFLDWUHELJ-CJBNDPTMSA-N 383.408 0.977 0 50 GCAA Cc1c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)nnn1-c1ccc2ncccc2c1 370622250 MCWLFBZIIUITID-IAGOWNOFSA-N 392.419 0.853 0 50 GCAA COCCc1noc([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)n1 952869485 LWBAGBDEGREPOV-LLVKDONJSA-N 377.401 0.023 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1 1704343522 IPNAOIHSCHKVAE-TVQRCGJNSA-N 384.426 0.150 0 50 GCAA CN1C(=O)CCO[C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H]21 1857696575 HSKNEFXXGQFKQM-GJZGRUSLSA-N 379.438 0.192 0 50 GCAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCc2nc(C(N)=O)cn2CC1 1875249620 KDVQAKIYXDNPGX-UHFFFAOYSA-N 379.420 0.690 0 50 GCAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2ccc3c(c2)CCOC3)ncn1 2325786201 QAAVIURDEFUNAQ-IAGOWNOFSA-N 383.452 0.430 0 50 GCAA COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)c1cnc3cnn(C)c3c1)CC2 2356144391 VMNAOUKQINUIQI-UHFFFAOYSA-N 397.391 0.321 0 50 GCAA Cn1c(=O)c2c(nc(SCC(N)=O)n2Cc2ccccc2F)n(C)c1=O 1078308 AZWGMJHFQRKKDS-UHFFFAOYSA-N 377.401 0.199 0 50 GCAA COCCN[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1cc(C)ccc1OC 19821038 KYIWHODDQFKLHY-SWLSCSKDSA-N 377.484 0.179 0 50 GCAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)nc(C)n2)n1 36705488 JHFWCFPNTPQCLM-UHFFFAOYSA-N 379.490 0.516 0 50 GCAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1C(=O)CCc1ccc2c(c1)OCO2 71403975 YDACMLAUIJATAF-AWEZNQCLSA-N 384.392 0.940 0 50 GCAA COc1ccc2c(=O)n(CC(=O)N(C)C[C@H]3COCCO3)ccc2c1OC 95519152 GUNWIMBDTIVHOQ-ZDUSSCGKSA-N 376.409 0.893 0 50 GCAA Cc1cc(S(=O)(=O)NCC(=O)N2Cc3nnc(C)n3[C@@H](C)C2)ccc1F 96153466 AYYNGAKVIXPDDE-NSHDSACASA-N 381.433 0.916 0 50 GCAA Cc1n[nH]c(C)c1CNS(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1 97117056 ZPFDJQRFXZCUFV-UHFFFAOYSA-N 377.470 0.550 0 50 GCAA O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCOCC2(CCCC2)C1 170599035 SHNUJWRAXRFZDI-CQSZACIVSA-N 397.497 0.571 0 50 GCAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 215245408 ZSEDUHJYARWHLE-OAHLLOKOSA-N 376.438 0.864 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 298791991 YRWQYUORAIAVOM-GOSISDBHSA-N 386.496 0.737 0 50 GCAA CCOCCN(C)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 376946097 QBQYSVMORRMHGV-CABCVRRESA-N 389.452 0.517 0 50 GCAA Cn1ccnc1NC(=O)Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1 1529133841 KNOQPMPRYNHYRD-INIZCTEOSA-N 382.428 0.467 0 50 GCAA Cc1cc(C[C@@H]2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)C[C@@H]2O)on1 1704336727 LYYCWVDGMQRNEC-PBHICJAKSA-N 386.456 0.200 0 50 GCAA Cc1cnc(CN2CCOC3(CCN(CCn4cnnc4)CC3)CC2=O)cn1 1857682119 IHXSELUQDAGGLK-UHFFFAOYSA-N 385.472 0.660 0 50 GCAA Cc1nc(=N)[nH]cc1C(=O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857710024 DSNAJNJJFQHTQM-IRXDYDNUSA-N 381.436 0.840 0 50 GCAA CN1C[C@@H](NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O 1857711602 ILRHKEOJVGXBMD-SNVBAGLBSA-N 381.483 0.196 0 50 GCAA O=C(NC[C@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C1)c1cncc(C(F)F)c1 1875328181 DHPSOFAVCISSII-WKFQBHICSA-N 394.338 0.554 0 50 GCAA O=C(CCn1cnc2ccccc21)N[C@H]1C[C@H](C(=O)NCc2nc[nH]n2)C[C@@H]1O 2100537306 MMXFGQSLZBSSNX-NOLJZWGESA-N 397.439 0.117 0 50 GCAA O=C1N[C@H](CO)C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C[C@H]12 14752473 GRJHGDMBSIRFPN-QZTJIDSGSA-N 379.416 0.497 0 50 GCAA CC(=O)N[C@H]1CCN(Cc2cc3n(n2)CCN(c2ncnc4c2CCC4)C3)C1 72429592 BIQJQTPYVKAUOG-HNNXBMFYSA-N 381.484 0.892 0 50 GCAA CN(CCO)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1C 77392365 QYHPHODFGXJODM-UHFFFAOYSA-N 394.497 0.741 0 50 GCAA O=C(c1coc(CN2CCOCC2)c1)N1CCN(c2ncnc3[nH]cnc23)CC1 91391377 NMIOXKNMXNRYJF-UHFFFAOYSA-N 397.439 0.741 0 50 GCAA CSCc1noc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n1 91943690 CAHDFUIEDXRUSZ-VXGBXAGGSA-N 375.520 0.635 0 50 GCAA CCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]21 95518634 VLMRRZUJYYKCAH-OLZOCXBDSA-N 390.458 0.234 0 50 GCAA O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H](N2CCNCC2=O)C1 186672255 VWQDQTMOMNUTDQ-NSHDSACASA-N 383.246 0.174 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc4nonc34)C2=O)n(C)n1 268877959 QXMYLSIRBCRISC-LBPRGKRZSA-N 390.425 0.739 0 50 GCAA Cc1cnc(CCN(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)s1 280296645 ZYCWCCXRGTVKHF-JKSUJKDBSA-N 377.470 0.784 0 50 GCAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)n1 328615151 XVEWPPLZYMEZGJ-MRXNPFEDSA-N 381.410 0.685 0 50 GCAA O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 888101573 JPSZLXQGJTZMFP-ZDUSSCGKSA-N 390.469 0.028 0 50 GCAA Cn1cc(-c2ccnc(C3CCN(S(=O)(=O)c4cnnn4C)CC3)n2)cn1 952895240 SKLLOLOMQGLGBH-UHFFFAOYSA-N 388.457 0.574 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)CC1 1334631881 LIQNZAYQKJZQHE-XNRPHZJLSA-N 388.443 0.878 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2(CO)CCOCC2)OCC(=O)N1C 1529139324 PGFWSOMTZHLIKU-MSOLQXFVSA-N 376.453 0.799 0 50 GCAA NC(=O)c1noc(CN2CCCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 1772706480 CRWUZDVECANCKC-CQSZACIVSA-N 387.396 0.043 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3n[nH]c4c3COCC4)CC(=O)N21 1857739087 CTDNJYILXKWINZ-MJVIPROJSA-N 376.413 0.107 0 50 GCAA CCNC(=O)CN1C(=O)[C@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)c2ccccc21 2100539557 NXSZYFVBPCGKAK-NRFANRHFSA-N 395.463 0.914 0 50 GCAA O[C@@H]1CCN(c2ccnc(N3CCc4nc(-c5cccnc5)nn4CC3)n2)C1 2356164735 FAMZVOHXCWUJNF-OAHLLOKOSA-N 378.440 0.764 0 50 GCAA CNC(=O)c1noc(CN2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)n1 2356167192 JSMFJKYMVVNVEM-LJQANCHMSA-N 384.440 0.981 0 50 GCAA COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1OC 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NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 299778943 IWQQEDYTPAHCCE-KBPBESRZSA-N 381.389 0.051 0 50 GCAA CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2c(C)noc2C)cn1 481236710 WVIMNLVAYFSSDM-CYBMUJFWSA-N 388.471 0.668 0 50 GCAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3n[nH]c4c3CCCC4)cc2C1 534651149 BDGCQLXQAXQTPZ-UHFFFAOYSA-N 378.458 0.190 0 50 GCAA CS(=O)(=O)CCC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670452723 DESVSLWASOZQGY-OBONGRFPSA-N 377.510 0.105 0 50 GCAA Cc1cc(C)c2[nH]c(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc(=O)c2c1 1529172488 IJUBQUSRUNHTRX-KBXCAEBGSA-N 393.509 0.829 0 50 GCAA CCN=S1(=O)CCC2(CC1)CN(C(=O)Cc1nnn(C(C)(C)C)n1)CCO2 1875396082 VGHQJWCOBIGSAA-UHFFFAOYSA-N 398.533 0.850 0 50 GCAA Cn1cc(Br)c(OCC(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)n1 1875400817 NFYBIHGAMHMTLI-RAIGVLPGSA-N 398.261 0.714 0 50 GCAA CC1(C)NC(=O)C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccn3nccc3n2)CC1 2325823581 XZHUELFUBDQRQD-MGPQQGTHSA-N 398.467 0.801 0 50 GCAA 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0.842 0 50 GCAA Nc1ncccc1CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC2)c1 95501633 KGFRKXZYOOIMTM-CQSZACIVSA-N 376.438 0.661 0 50 GCAA COc1cccc(CN2CC3(CCN(C(=O)[C@@H]4C[C@@H](O)CN4)CC3)CC2=O)c1 95528694 YJLQCFPHNHJTTF-AEFFLSMTSA-N 387.480 0.759 0 50 GCAA O=C1CN(Cc2cn(C3CCN(c4cnc5ccccc5n4)CC3)nn2)CCN1 97474896 WNDHAHCKKAYRJQ-UHFFFAOYSA-N 392.467 0.995 0 50 GCAA COc1c[nH]c(C(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)cc1=O 97546687 IXPJWUKBEVLNQR-UHFFFAOYSA-N 377.441 0.875 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@](C)(N)c2ccccc2)CC1 195236111 XFIVBXZFZRJCEH-GOSISDBHSA-N 392.481 0.998 0 50 GCAA O=C(NCC(=O)N1CCc2ccccc2C1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 275305945 NGWBSCQNKRJZOQ-OALUTQOASA-N 394.431 0.658 0 50 GCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 284686339 WDLIVVQARRMHPK-HOCLYGCPSA-N 380.466 0.942 0 50 GCAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)C2)n1 328613797 UEEODBRRJGSGGA-INIZCTEOSA-N 380.426 0.574 0 50 GCAA CC(C)n1cc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cn1 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CJSADPZACTZIIF-ZDUSSCGKSA-N 389.435 0.484 0 50 GCAA Cc1nc[nH]c1CN1CCN(Cc2ccc(CO)o2)[C@H]2CS(=O)(=O)C[C@H]21 72477938 LXGGJDAZEOVNKA-DLBZAZTESA-N 380.470 0.287 0 50 GCAA CS(=O)(=O)N1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@]2(C(=O)O)C1 96160578 CBMIOCIJADMDLR-MLGOLLRUSA-N 386.857 0.687 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)C2=O)cn1 172084803 IFZBQHDSAXLQMQ-IAGOWNOFSA-N 381.436 0.946 0 50 GCAA Cn1ccc(N2CCC[C@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2=O)n1 172847896 XTDCITUSGXXBBG-HNNXBMFYSA-N 380.412 0.250 0 50 GCAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](O)C3CC3)cc2)C[C@@H](C)O1 229881498 PRSDKPGZKPDOEE-PBFPGSCMSA-N 382.482 0.985 0 50 GCAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC[C@@H](C)[C@@H]1CN 237403210 ZQLXCTGDGOLOMY-CJNGLKHVSA-N 377.489 0.433 0 50 GCAA Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)n(C)n1 266569508 PWEHGBGLUKMJEV-CABCVRRESA-N 398.471 0.592 0 50 GCAA CN(C)C(=O)Cn1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)nn1 363143389 ADELOEHSGAVWHH-UHFFFAOYSA-N 378.477 0.131 0 50 GCAA COc1cc(CCNC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc(OC)c1 426389555 ACCRSSHKXOJIFK-ROUUACIJSA-N 379.457 0.333 0 50 GCAA O=C(O)CSc1nnc(CNC(=O)N2CCC(O)(c3ccccn3)CC2)o1 670466602 IFMHQFFOEQUUKA-UHFFFAOYSA-N 393.425 0.835 0 50 GCAA O=C(NC1CC1)[C@@H]1CCCN1c1ncnc2c1ncn2C[C@@H](O)[C@@H]1CCCO1 888097142 BRYWLAKUGICWHN-ZNMIVQPWSA-N 386.456 0.614 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc(-c2cn[nH]c2)c1 1704341485 UIYMLLDJPDOTIT-JKSUJKDBSA-N 378.454 0.713 0 50 GCAA O=C(NCCN1CCOCC1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772811603 WNPMJUVRVYKEJX-AWEZNQCLSA-N 380.514 0.533 0 50 GCAA CNC(=O)c1noc(CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 1857734135 LELAWHCZYWESRQ-KSSFIOAISA-N 378.404 0.356 0 50 GCAA Cc1cc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc(S(N)(=O)=O)c1C 1875250594 OXDAYXKMUODSBL-IAGOWNOFSA-N 393.509 0.886 0 50 GCAA CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cc(=O)n(C)c(=O)n1C 1875262215 BOSNOICPBYESEN-CXAGYDPISA-N 386.452 0.545 0 50 GCAA Cc1nc(O)nc(O)c1S(=O)(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 1875347100 RCMCUAXNTGJOCC-IJLUTSLNSA-N 397.457 0.868 0 50 GCAA CSCC[C@@H](O)CC(=O)N1CCC[C@H]2CN(C(=O)C(=O)NC3CC3)C[C@H]21 2325878444 PLXUSNQHFDODFY-NWANDNLSSA-N 383.514 0.219 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NC[C@H]4CCCCNC4)cccc3C2=O)C(=O)N1 2325896237 UVJZOPDEPSJVRI-SUMWQHHRSA-N 398.463 0.567 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc2c(c1)OCO2 2356154747 IIBFINUHNNKARV-KBPBESRZSA-N 381.454 0.439 0 50 GCAA COc1ccc(C2=NN(C(C)=O)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)cc1 4171012 OFYTYDZINZGANL-UHFFFAOYSA-N 382.380 0.213 0 50 GCAA NC(=O)CNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 72173915 GQBBTKIEBHWWOA-IBGZPJMESA-N 394.475 0.611 0 50 GCAA CCc1nnc(CN2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)o1 72476252 HGRNOSIJXPXNGP-CQSZACIVSA-N 375.477 0.972 0 50 GCAA Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCNC(=O)C1CC1 77423499 UPFFHGXBJREYND-UHFFFAOYSA-N 392.481 0.892 0 50 GCAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NCCCc2ncc[nH]2)c1 95373972 KCKKBDZMIQNAMV-CQSZACIVSA-N 378.454 0.840 0 50 GCAA COCCN1CCN(C(=O)Cc2sc(C)nc2C)[C@H]2CS(=O)(=O)C[C@H]21 95509692 TVWBVNUOCUMOIV-KGLIPLIRSA-N 387.527 0.259 0 50 GCAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]12 216313361 BMFZDIPHENMIDY-CABCVRRESA-N 387.827 0.457 0 50 GCAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CN2CCCCC2=O)cc1 219665150 AVWOCVJUDBJBAO-HZPDHXFCSA-N 375.425 0.451 0 50 GCAA COCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 229898868 RNCNDEZJKDJMRW-CNJNCWCRSA-N 393.827 0.088 0 50 GCAA CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccc(Cl)cc1Cl 245231361 CIHDSPCYFDFWRF-CAEXGNQWSA-N 380.224 0.454 0 50 GCAA COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1sccc1OC 438956735 ICGQBSNJHGPZSM-LSKIRQOJSA-N 389.451 0.870 0 50 GCAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)CS(C)(=O)=O 788418456 YPUXDHSPWRZVAR-SECBINFHSA-N 399.874 0.603 0 50 GCAA C[C@@H]1CN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)CC[S@](=O)C1 952832860 HGWJFYJIQZVWTJ-RYZVSIALSA-N 379.486 0.337 0 50 GCAA CN(C)CCN1C[C@@H](C(=O)NC2CCN(Cc3cccc(O)c3)CC2)CC1=O 952872588 PNGRGNWEVKJJQL-KRWDZBQOSA-N 388.512 0.883 0 50 GCAA NC(=O)N1CCC[C@H](C(=O)N2CCCN(C(=O)CCc3cccnc3)CC2)C1 1529179442 AZJDDJTVXMXZED-KRWDZBQOSA-N 387.484 0.866 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1O 1565516811 BSHDCEIKRSBZTO-HOTGVXAUSA-N 375.466 0.426 0 50 GCAA CNC(=O)CCCN(C)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1775988399 XXBGCPGQMZXLFO-HNNXBMFYSA-N 392.456 0.532 0 50 GCAA COc1nccnc1N1CC[C@H](O)[C@H](NC(=O)Cc2cn3ccsc3n2)C1 1857700683 FPYWCYCMRCNZJC-OLZOCXBDSA-N 388.453 0.493 0 50 GCAA NC(=O)c1ccccc1OCC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1O 1857726230 XZEMJRXLMJUJNC-NUEKZKHPSA-N 389.452 0.433 0 50 GCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3ccn4nccc4[nH]3)C2)c1C 1875397657 JCMYHHQPVJTZDH-CQSZACIVSA-N 380.456 0.951 0 50 GCAA CCOC(=O)CCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccccn1 11844580 GMFNWYNZZYUYKO-LSDHHAIUSA-N 376.413 0.792 0 50 GCAA C[C@@H]1C(=O)N(C)CCN1Cc1cn(CC2CCN(C(=O)c3ccc[nH]3)CC2)nn1 23581158 OHWUROSSQVXEBV-OAHLLOKOSA-N 399.499 0.821 0 50 GCAA CN(C)S(=O)(=O)NC[C@]1(O)CCCN(C(=O)Cc2cccs2)CC1 72174193 PVJZRVUPBUTIGD-HNNXBMFYSA-N 375.516 0.430 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1CO 91391467 CJUOVVHSMHCHKR-CHWSQXEVSA-N 380.470 0.015 0 50 GCAA CCN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCOC3)c2)CC1 95369840 MSZNWDROHRUTLK-OAHLLOKOSA-N 381.498 0.779 0 50 GCAA COC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCNCC3)c2)C1 95382654 SWDKYCOFDHJIRQ-OAHLLOKOSA-N 381.498 0.779 0 50 GCAA O=C(c1cn(CCN2CCNCC2)nn1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95508882 PWKCHTZGBJFUEI-QZTJIDSGSA-N 387.532 0.130 0 50 GCAA C[C@]1(NC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)CCS(=O)(=O)C1 96152149 LVBOELAAZRQKOZ-ZDUSSCGKSA-N 379.435 0.896 0 50 GCAA COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccccc1 170624316 BIZOAAMBSPXTTR-UHFFFAOYSA-N 388.405 0.571 0 50 GCAA COc1cccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)c1 252570987 XMYDQIPAALKJKW-HARLHBKBSA-N 379.478 0.529 0 50 GCAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)c(OCC(=O)O)c(C)c2)C1 262742213 IJUPGFKFMFSABZ-CQSZACIVSA-N 384.454 0.921 0 50 GCAA O=C(Cn1cc(C[C@H]2N=C(O)N=C2O)nn1)N1CCN(C2CCCCC2)CC1 328615175 XZFLLXYOUNUXST-OAHLLOKOSA-N 389.460 0.550 0 50 GCAA Cn1c(=O)nc(O)c2cc(C(=O)NCc3cccc(N4CCOCC4)n3)cnc21 482249699 ZIRHFKIOIOIUHO-UHFFFAOYSA-N 396.407 0.196 0 50 GCAA CN(CC(=O)NCCOc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 827825790 UZWJLEOMQCHRCB-OAHLLOKOSA-N 377.466 0.849 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)O)C(=O)[C@H]2C)cc1Cl 1506396012 GBECGVXLQNNSRH-SECBINFHSA-N 376.818 0.655 0 50 GCAA O=C(O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)CN1 1506402956 LGKHHVVZVDDGFS-XPUUQOCRSA-N 394.331 0.782 0 50 GCAA O=C(O)CC[C@@]12CN(CCn3cnnc3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 1772702728 LIIMAHZXNHSMRW-APWZRJJASA-N 391.472 0.330 0 50 GCAA CN1CCn2nc(C(=O)NC[C@@H](c3ccccn3)N3CCOCC3)cc2C1=O 1857678176 CQQYCBINIDMSSS-KRWDZBQOSA-N 384.440 0.167 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)N2CCOCC2)C1)c1onc2ncccc12 1857687228 MGHOWPNNLANCCN-XOBRGWDASA-N 399.451 0.808 0 50 GCAA Cc1ccccc1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857737540 RNXYMSTVKYPVGU-PMPSAXMXSA-N 381.498 0.593 0 50 GCAA Cc1cccc(OCC(=O)N[C@@H]2CCOC[C@@H]2NC(=O)Cc2cnn(C)c2)c1 1875307708 SCYRGXLIIKSTTP-MSOLQXFVSA-N 386.452 0.740 0 50 GCAA CO[C@@H]1COC[C@H]1S(=O)(=O)N[C@H](CO)c1ccccc1OC(F)(F)F 2325819998 XJLHDRLJYPKULV-RAIGVLPGSA-N 385.360 0.952 0 50 GCAA CO[C@@H]1COC[C@@H]1S(=O)(=O)N[C@H](CO)c1ccccc1OC(F)(F)F 2325819999 XJLHDRLJYPKULV-RTXFEEFZSA-N 385.360 0.952 0 50 GCAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCO[C@@H](c4nnn(C)n4)C3)cc12 2356139670 VUXLMHAIUNSCMC-CQSZACIVSA-N 390.425 0.535 0 50 GCAA CNC(=O)[C@H]1CC[C@H]2OCCN(S(=O)(=O)N(C)Cc3ccccc3)[C@@H]2C1 2356148181 KWZIOJGUFXTSCW-GVDBMIGSSA-N 381.498 0.979 0 50 GCAA Cc1ccccc1CN1CCc2nnc(CNC(=O)[C@@H]3CCC(=O)N3)n2CC1 20455747 SNUKVXUTTJSTSR-INIZCTEOSA-N 382.468 0.540 0 50 GCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(S(=O)(=O)c2ccccc2)CC1 67431963 ACJORRHIIYFHJG-ZFWWWQNUSA-N 379.482 0.446 0 50 GCAA COc1ccc(S(=O)(=O)NCCNC(=O)C2=C(C)NC(=O)N[C@H]2C)cc1 67688766 ODPLAGNSRHNMHD-JTQLQIEISA-N 382.442 0.065 0 50 GCAA CC(C)C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1nnc2n1CCNCC2 67695704 OUDDWENTDLBOLS-CQSZACIVSA-N 383.518 0.452 0 50 GCAA CCCn1nccc1S(=O)(=O)N1CCC2(CC1)[C@@H](C(=O)O)CC(=O)N2C 95378932 YBFHSRVKFZURSX-GFCCVEGCSA-N 384.458 0.379 0 50 GCAA O=C(NC[C@H]1CCCN(C(=O)COc2ccc3nncn3n2)C1)c1ccco1 95525513 HPVVGXUADQKQKL-CYBMUJFWSA-N 384.396 0.765 0 50 GCAA N[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)C1 97259285 FEZRQHABBOZJIZ-HNNXBMFYSA-N 379.482 0.803 0 50 GCAA CC(C)[C@@H]1OCC[C@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 252536749 JKYSXKWVASGSRQ-ZENOOKHLSA-N 385.486 0.329 0 50 GCAA CCN1Cc2nc(OC)c(CNC(=O)CSc3nncn3C)cc2C1=O 299767988 DKOXWLWQGMBQEU-UHFFFAOYSA-N 376.442 0.603 0 50 GCAA CN(CC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)Cc1ccccn1 299803098 WOIPQLXCXFOCOC-NFBUACBFSA-N 375.469 0.528 0 50 GCAA O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN2C(=O)N=C(O)[C@@H]2C1 329417038 FYBFXFWXEIAUOW-RNCFNFMXSA-N 378.335 0.921 0 50 GCAA CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 378548309 KIIITESBKHBIDQ-AWEZNQCLSA-N 396.469 0.445 0 50 GCAA Cn1cncc1-c1noc(-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 809475598 RQSCTTUSZXZAPO-UHFFFAOYSA-N 390.425 0.621 0 50 GCAA CC(=O)N1CCOC2(CCN(c3ncc(F)c(N4CCOCC4)n3)CC2)C1 952985061 RUUCRFDLNSBJQZ-UHFFFAOYSA-N 379.436 0.670 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)NCC(=O)NC3CC3)OCC(=O)N2C2CC2)cc1 1529184733 GBVRIPCVYROMRP-MOPGFXCFSA-N 387.436 0.521 0 50 GCAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc(N3CCOCC3)no2)C1 1772814253 QAFQJJZOPPOQPU-GFCCVEGCSA-N 376.417 0.152 0 50 GCAA O=C(NCCO)c1cc2c(s1)C1(CCN(C(=O)[C@H]3CCCN3)CC1)OCC2 1857687787 FCSFAXMAFJOLKT-CQSZACIVSA-N 393.509 0.613 0 50 GCAA NCC[C@@H]1CCCCN1C(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325895811 KMOFQWCDFAMOEP-GUYCJALGSA-N 398.463 0.791 0 50 GCAA O=C1CCN(c2ccccc2C(=O)N2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)C(=O)N1 2356163864 UXIXLASJJQNFEC-URYASSDKSA-N 385.420 0.745 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnccn1 12386140 RLVKPQGFOREKKB-QGZVFWFLSA-N 383.452 0.535 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 20731648 JEWYJROLCXUGQP-GFCCVEGCSA-N 385.873 0.797 0 50 GCAA O=C1CC[C@H](N2C(=O)c3cccc(I)c3C2=O)C(=O)N1 28862597 VXDTWULFGNROJV-QMMMGPOBSA-N 384.129 0.692 0 50 GCAA CCOC(=O)CNc1ncc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 63834760 FGISIPRRMWBYAB-HNNXBMFYSA-N 377.445 0.275 0 50 GCAA O=S(=O)(c1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72117476 GKXHFYINGFZYRL-UHFFFAOYSA-N 389.481 0.824 0 50 GCAA Cn1ncc(N2CCO[C@@H](CCNC(=O)c3cnn4c3CCCC4)C2)cc1=O 72129482 YGDMETFSNVLETE-HNNXBMFYSA-N 386.456 0.338 0 50 GCAA Cc1ccc(CNC(=O)N2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77520479 YOIGLHRLDXUSHO-CABCVRRESA-N 381.454 0.072 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2nc(N)nc3c2CCCC3)C[C@@H]1CO 91724843 XVPWNNXIZJHCGN-ZIAGYGMSSA-N 377.489 0.196 0 50 GCAA CN1C[C@]2(CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)OC1=O 95364288 JXAUEEUTMLZMII-KRWDZBQOSA-N 379.438 0.794 0 50 GCAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)Cn2ccc(=O)cc2)CC1 96139211 WMGCUYFVWPLGIM-UHFFFAOYSA-N 384.484 0.979 0 50 GCAA COCCN1C[C@]2(CCCN(C(=O)CN3CCCN(C)CC3)C2)CCC1=O 107674947 WRLVGHFNJFFJJV-HXUWFJFHSA-N 380.533 0.502 0 50 GCAA O=C(CN1CCOCC1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 216214803 NRYLXOBKDGIOSL-WBVHZDCISA-N 375.473 0.124 0 50 GCAA Cc1n[nH]c(SCC(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 222574198 RDPGNGNHRXPEQT-HNNXBMFYSA-N 388.457 0.259 0 50 GCAA CN(C)c1nc(N2C[C@@H]3CN(CCO)C[C@]3(C(=O)O)C2)cc(C(F)(F)F)n1 248072258 AZZIAPCXIFYBCY-BONVTDFDSA-N 389.378 0.377 0 50 GCAA CSCC[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O 252533040 FTUZFWJULHHCBU-CABCVRRESA-N 379.482 0.974 0 50 GCAA Nc1nc2c(c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n1)CCCC2 827587369 LCONSVWJCRAHGZ-UHFFFAOYSA-N 375.454 0.558 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)cc1 1191603874 CCQQMAIXRIYLQJ-UHFFFAOYSA-N 379.438 0.254 0 50 GCAA O=C(CCCn1cncn1)N1CCCN(C(=O)c2ccc3nn[nH]c3c2)CC1 1529198897 PAGMRXCMIUOVNB-UHFFFAOYSA-N 382.428 0.704 0 50 GCAA CC(C)C[C@@H]1[C@H](C(=O)N2CCOCC2)C[C@@H]2CN(C3CCOCC3)CC(=O)N21 1857695937 FNCLMZWIBGONES-GUDVDZBRSA-N 393.528 0.972 0 50 GCAA CC(=O)NCCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857729088 VBRSRPBRJYQZQS-FPOVZHCZSA-N 389.496 0.938 0 50 GCAA Nc1cccc(C(=O)N2C[C@@H](NC(=O)Cn3nccn3)CC23CCOCC3)c1N 1875330453 YCEHDJXDRKIGBG-ZDUSSCGKSA-N 399.455 0.023 0 50 GCAA CN(C)C(=O)c1cccc(S(=O)(=O)NC(=O)c2cn(CCC3CC3)nn2)c1 2325827632 LSTRCHQHXCUQEB-UHFFFAOYSA-N 391.453 0.899 0 50 GCAA CN1CCn2nc(NS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2C1 2325842424 XOZYKVRZKBDESY-UHFFFAOYSA-N 378.458 0.693 0 50 GCAA O=C(Cn1ccc(O)nc1=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356137852 BZXFUYBJMBMWFJ-UHFFFAOYSA-N 380.408 0.216 0 50 GCAA O=C(NCc1cc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)ccn1)c1ccc[nH]1 2356146074 QEHUKLQJAPLIRH-CYBMUJFWSA-N 376.438 0.391 0 50 GCAA O=C(NCCOc1ccccc1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 19836691 STTNLTZUEQDSJW-QGZVFWFLSA-N 375.469 0.752 0 50 GCAA CC(C)O[C@H]1CN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C[C@@H]1O 55393463 VXQCEABOUSQNKC-OALUTQOASA-N 378.469 0.894 0 50 GCAA O=C1NC(=O)[C@@H](CC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)N1 56303832 TXVXFHDYPBFZHY-CYBMUJFWSA-N 378.816 0.613 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCN(C)CC1 65364593 DEIJHAWSCSVYHW-UHFFFAOYSA-N 380.514 0.319 0 50 GCAA CCn1c(CC2CCN(C(=O)CN3CCCCCC3=O)CC2)nn(C)c1=O 67955223 UGQWFYBGAHPLJA-UHFFFAOYSA-N 377.489 0.785 0 50 GCAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 71746550 SBHUVDPSNNGQRN-AWEZNQCLSA-N 397.483 0.720 0 50 GCAA COCC(=O)N1CC[C@H]2N(C(=O)c3n[nH]c4c3CCC4)CCC[C@]2(CO)C1 72138662 ZYVQRVUYABSYPW-DNVCBOLYSA-N 376.457 0.360 0 50 GCAA CN1C(=O)C2(CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)c2ccccc21 72148104 ANWIAFBSBSCLBC-HNNXBMFYSA-N 384.480 0.721 0 50 GCAA CN1CCN(C[C@@H]2CN(C(=O)COc3ccc(F)cc3F)C[C@@H]2CO)CC1 91548259 AXWKCMPREOAIDZ-HUUCEWRRSA-N 383.439 0.658 0 50 GCAA COCCc1noc([C@@H]2CCCN(C(=O)Cn3cccc(OC)c3=O)C2)n1 95524576 SENHPIWOIWEGPT-CYBMUJFWSA-N 376.413 0.835 0 50 GCAA CCOCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1 102673722 USMORNXXBPIOIC-QLPKVWCKSA-N 382.482 0.844 0 50 GCAA Cc1nnc(SCC(=O)N2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)o1 244719210 LYTIRYQWDWUDOE-ZIAGYGMSSA-N 376.438 0.862 0 50 GCAA COc1ccccc1CNC(=O)CN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299780822 DBNNWUPKFGONFL-NYUBLWNDSA-N 390.480 0.800 0 50 GCAA COCCCN(C(=O)[C@H]1C[C@@]12CCOC2)c1c(O)nc(=O)n(CC(C)C)c1N 373405757 HZTBDGWKUPYJJG-BFUOFWGJSA-N 394.472 0.983 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)C1=O 1704358415 KVWCGHSSDIQETQ-RHSMWYFYSA-N 396.447 0.927 0 50 GCAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(CO)C1 1772706456 CPKZRBPNEKRCKM-QRWLVFNGSA-N 396.451 0.355 0 50 GCAA CC[C@H]1[C@@H](C(=O)NCc2nccn2C)C[C@H]2CN(C(=O)NC(C)C)CC(=O)N21 1857696554 GRCZKIHCTCODIC-KKUMJFAQSA-N 390.488 0.466 0 50 GCAA CC1CCN(CC(=O)NC[C@H]2[C@H]3CN(CCC(=O)O)C[C@]34CC[C@H]2O4)CC1 1857727570 UWANJXKVWDSRHV-TVKQPGBESA-N 379.501 0.789 0 50 GCAA OCC1(Cn2cnc3c(N4CCC[C@@H](c5nn[nH]n5)C4)ncnc32)CCOCC1 1875269349 ZKKNNUORGNTXKY-CYBMUJFWSA-N 399.459 0.513 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCc2cccnc2)C[C@@H]1O)c1onc2ncccc12 2100545333 PKSJXGHKSHJLDQ-QEJZJMRPSA-N 381.392 0.804 0 50 GCAA CCc1noc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n1 2100555335 RESNDVIDUPRJJZ-SJORKVTESA-N 390.396 0.522 0 50 GCAA O=C(NCCN1CCCS1(=O)=O)[C@@H]1CCCn2c(Br)cnc21 2325799713 RWDMZXUUZIRWJT-SNVBAGLBSA-N 391.291 0.675 0 50 GCAA O=C(COc1ccsn1)NC[C@@H]1CCN1C(=O)c1nn[nH]c1C(F)(F)F 2325827511 IIHQBDGDXSAANE-ZETCQYMHSA-N 390.347 0.690 0 50 GCAA CN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 12585706 YYCOCGGICYUDBS-HXUWFJFHSA-N 395.507 0.779 0 50 GCAA COC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 14952606 JKPHUWVZLPXEKZ-QGZVFWFLSA-N 391.443 0.928 0 50 GCAA CCn1c(C2CCN(C(=O)Cc3nc(-c4cccnc4)n[nH]3)CC2)n[nH]c1=O 67727366 DWPCGBRCTJEJMZ-UHFFFAOYSA-N 382.428 0.720 0 50 GCAA O=C(O)CCc1cc2n(n1)CCN(CC(=O)NCc1ccc(C(=O)O)o1)C2 72426140 GDYFXAOUIYRLGO-UHFFFAOYSA-N 376.369 0.324 0 50 GCAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)CN3CCCN(C)CC3)C2)n1C 77517853 OHCGNTVHDHZGOJ-INIZCTEOSA-N 377.537 0.220 0 50 GCAA Cc1cccnc1N1CCN(C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)CC1 82091389 GPJKJEZCWGHAGJ-MRXNPFEDSA-N 380.514 0.548 0 50 GCAA Cc1nc2cc(OCc3nc(C(=O)NC(CO)(CO)CO)co3)ccc2s1 91872193 WCDUXMYJPDQDJM-UHFFFAOYSA-N 393.421 0.617 0 50 GCAA Cc1nnc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)o1 95360159 ZSIFXOULUBLFOT-LLVKDONJSA-N 380.426 0.890 0 50 GCAA COCCn1ccnc1[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 95504077 ICYSAWVYJGLGEL-ZDUSSCGKSA-N 377.445 0.566 0 50 GCAA Cn1c(Cn2cccn2)nnc1C1CCN(Cc2nc3ncccn3n2)CC1 96150008 LXTSMMJFWLCVSF-UHFFFAOYSA-N 378.444 0.877 0 50 GCAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 215245360 ZSEDUHJYARWHLE-HNNXBMFYSA-N 376.438 0.864 0 50 GCAA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3ccc(-n4cnnn4)cc3)C2)n1C 244647103 GVDJYGUZKSTYOZ-OKILXGFUSA-N 381.444 0.528 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc3c(nc2O)CCC3)C1 253535468 STPSTVMATGGEML-BETUJISGSA-N 387.440 0.682 0 50 GCAA CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 263227981 HCVSXRZSULSNOZ-LPHOPBHVSA-N 375.517 0.413 0 50 GCAA C[C@]1(c2ccc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)cc2)NC(=O)NC1=O 363599856 HAHKPCODZCNUFS-RZQQEMMASA-N 386.452 0.412 0 50 GCAA CN1C[C@H](C(=O)N2CCC(CNS(C)(=O)=O)CC2)c2ccccc2C1=O 367721036 NHMISCKBLUKLHJ-INIZCTEOSA-N 379.482 0.644 0 50 GCAA CNC(=O)Cn1cc(-c2cccc(C(=O)N3CCCN(C(C)=O)CC3)c2)cn1 534639993 ZCJRVYSNVQKJPX-UHFFFAOYSA-N 383.452 0.991 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)N1CCCN(C(=O)CCn2cccn2)CC1 1775984279 MPDCWDUHWVLAQW-INIZCTEOSA-N 399.517 0.163 0 50 GCAA Cc1cc(CC(=O)N2CC[C@@H]([C@H]3CCCN(C(=O)Cn4cncn4)C3)C2)n[nH]1 1875321947 CBXONHOUVNTLMZ-JKSUJKDBSA-N 385.472 0.639 0 50 GCAA CN1C(=O)NCC12CN(C(=O)[C@H]1C[C@H]3CCCN3[C@]13C(=O)Nc1ccccc13)C2 2356135392 BVVBTXBULHNFEN-VWLHBSKXSA-N 395.463 0.554 0 50 GCAA 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 5760164 ABOLXXZAJIAUGR-LEBSGKMFSA-N 382.409 0.424 0 50 GCAA endogenous,world COc1cc(CNCC(C)(C)CO)ccc1OC[C@@H](O)CN1CCC(O)CC1 12073520 MVGIACNTDXTMKE-SFHVURJKSA-N 396.528 1.000 0 50 GCAA O=C([C@H]1CC[C@@H](NS(=O)(=O)N2CCc3ccccc3C2)C1)N1CCOCC1 72474945 YVWFBIOAFZKFBI-FUHWJXTLSA-N 393.509 0.907 0 50 GCAA Cc1nn(CC(=O)NCCc2cccnc2)c(=O)n1-c1ccc2c(c1)OCO2 77485558 XGQSLMRMFOXIFM-UHFFFAOYSA-N 381.392 0.825 0 50 GCAA Cc1nc(CN(C)S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)no1 95382764 KFVMXBIAANGDRG-UHFFFAOYSA-N 380.426 0.671 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cccn1)CC2 95516442 GXGSKHACWVEQTM-AWEZNQCLSA-N 386.456 0.716 0 50 GCAA Cc1nc([C@@H](C)NC(=O)Cn2nnnc2CN2CCc3ccccc3C2)n[nH]1 95526025 LJYZGIOGULJELF-GFCCVEGCSA-N 381.444 0.535 0 50 GCAA COC1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCN3)c2)CC1 97759163 CSFKANUNFVSHJJ-HNNXBMFYSA-N 381.498 0.968 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)C[C@H]1CCO 108008393 SWNVZGXFFCZHSC-MRXNPFEDSA-N 381.498 0.656 0 50 GCAA CNS(=O)(=O)NCC(=O)N1CCc2c(Br)ccc(F)c2C1 253407957 QOPPMLXNKRIYEF-UHFFFAOYSA-N 380.239 0.527 0 50 GCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)C[C@H]2CO)cn1 275249105 GMWRTPACDXAIJS-KBPBESRZSA-N 379.438 0.588 0 50 GCAA Cc1nn(C)c(C)c1[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(F)(F)F 331224437 XAXPOGLOGHOZCQ-GFCCVEGCSA-N 397.423 0.672 0 50 GCAA O=C(c1cccc(Nc2cnccn2)c1)N1CCC(O)(CN2CCOCC2)CC1 364989183 OHUHKQABQNNKPE-UHFFFAOYSA-N 397.479 1.520 0 50 GCAA COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3CN)cc2S1(=O)=O 408519256 GKZACWTVQSCARX-WFASDCNBSA-N 395.481 0.677 0 50 GCAA NC(=O)CN1CCC[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)C1 826838808 UAIQHYQMKILVKD-UABBMWSGSA-N 387.488 0.035 0 50 GCAA O=C(CN1Cc2ccccc2C1)NC[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 952970787 WMWFKDNKUOUEJX-OAHLLOKOSA-N 395.463 0.754 0 50 GCAA Cn1ccnc1CN1C[C@@H]2COC[C@]2(C(=O)NCCCc2csc(=N)[nH]2)C1 1857682342 VUJZNFWAIIBFGM-FZKQIMNGSA-N 390.513 0.487 0 50 GCAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccccn4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857712158 LWPCCCSPIYUZNY-XGNBGGDFSA-N 380.452 0.749 0 50 GCAA O=C(CN1CCOC1=O)NC[C@H]1[C@H]2CN(Cc3nccs3)C[C@]23CC[C@H]1O3 1857733530 NKNBYORDDDRLQF-HNSFDTNUSA-N 392.481 0.691 0 50 GCAA C[C@H]1C[C@H](n2nnnc2N2C[C@@H]3[C@@](C(F)(F)F)(CCS3(=O)=O)C2)CO1 1875392354 CFUYZBKKUJDPMQ-UXCLJVHYSA-N 381.380 0.579 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1cc(F)ccc1OC)C2 1875395802 MLKALTURQGXNDB-CYBMUJFWSA-N 384.429 0.139 0 50 GCAA Cc1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H](O)C2)n1 2325878670 XZUMUDWITFWNOC-YDHLFZDLSA-N 392.431 0.232 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CCCC[C@@H]4C(=O)O)cc3C2=O)C(=O)N1 2325897427 WWCCOVYRUSSBEV-HUUCEWRRSA-N 399.403 0.527 0 50 GCAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCC[C@]34CCCNC4=O)cc2c1=O 2356161981 ROAFTXRYGGMBNY-KRWDZBQOSA-N 392.437 0.072 0 50 GCAA CCN(CCn1cccn1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 14947959 SWJVMGJNGPPSIW-KRWDZBQOSA-N 389.500 0.983 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO)c(F)c1 14981082 DFXYUTJCADOZJR-MRXNPFEDSA-N 381.448 0.660 0 50 GCAA CC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)CC1 77301785 BRWIIMYMDJEEBA-OOSNJVJTSA-N 396.447 0.054 0 50 GCAA O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)Nc1ccc(F)cc1F 169772604 UAHBZOMDTBGFGE-UHFFFAOYSA-N 387.364 0.403 0 50 GCAA COC[C@@H](NC(=O)c1noc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)C(N)=O 170613438 WEUNYBLGVSNMNK-ZJUUUORDSA-N 383.405 0.372 0 50 GCAA O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)N[C@@H]1CCNC1=O 223635960 PWTDCQPYJBOMQY-QGZVFWFLSA-N 376.416 0.992 0 50 GCAA Cc1cc(N2CCCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)ccn1 243956702 CCHNMYLXRIDAGU-QGZVFWFLSA-N 380.514 0.548 0 50 GCAA CCn1c(O)nc2cc(C(=O)N[C@@H](C(=O)O)[C@@H]3CCCOC3)ccc2c1=O 262707055 ASLTWVBAVBTEQL-BXUZGUMPSA-N 375.381 0.732 0 50 GCAA CCc1ncc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)[nH]1 670467550 ZKUVSDYXMTZKMD-UHFFFAOYSA-N 386.499 0.927 0 50 GCAA C[C@]1(c2ccc(C(=O)N3CCSC[C@H]3c3nn[nH]n3)cc2)NC(=O)NC1=O 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Cc1cc(C)n2ncc(C(=O)NCc3cc4n(n3)CCN(C(=O)N(C)C)C4)c2n1 91808273 NIQNCWZXDQYHFP-UHFFFAOYSA-N 396.455 0.970 0 50 GCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 95498425 YZCOHRAYAQHRNE-UONOGXRCSA-N 376.413 0.693 0 50 GCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)Nc1cc(N2CCOCC2)ccc1Cl 95504196 VXNDJWTZZBICJE-UHFFFAOYSA-N 379.804 0.875 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CCOC[C@@H](CO)C2)nc1N1CCOCC1 96153600 RNIGKBKMJIPQKD-CYBMUJFWSA-N 380.445 0.121 0 50 GCAA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)N(C)C[C@@H]2C1 225619686 QSGSYSICPOPVPN-TZMCWYRMSA-N 383.445 0.814 0 50 GCAA CC[C@]1(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)OCCc2ccccc21 290110449 FXQPMVFIZVZPLJ-GOSISDBHSA-N 393.465 0.241 0 50 GCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)N=C(O)CO4)C2)n1 328614348 VSPKZGCEOVOREN-INIZCTEOSA-N 394.409 0.895 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nccn3C)CC2)cc1 331962051 SPRROIZDEFTLQH-UHFFFAOYSA-N 377.470 0.945 0 50 GCAA C=CC(=O)N(C)CC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 862031604 JFQLZRBBAZZLLB-UHFFFAOYSA-N 379.482 0.178 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](CNC(=O)c3cscn3)C2)C1=O 952967983 NMQLPJWQLQZCHA-NSHDSACASA-N 393.469 0.442 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@H]1O 1529186175 WBYGPYDQPWUXKJ-XJKSGUPXSA-N 378.454 0.197 0 50 GCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)CN(C)Cc3ccccn3)C[C@@H]2O)no1 1565509043 ZUHPTIKWOLFTMC-RDJZCZTQSA-N 387.440 0.202 0 50 GCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)C[C@@H]2O)no1 1565528366 NDYMHIYBSXKLBH-BBRMVZONSA-N 387.440 0.601 0 50 GCAA CCn1ncnc1CN1C[C@@H]2COC[C@H](C1)N(Cc1cnn3cccnc13)C2 1772708022 BOKAUNHKFRLGRM-RDJZCZTQSA-N 382.472 0.674 0 50 GCAA CN1CCn2nc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cc2C1=O 1857676312 FIMCPPPZUVIRGM-UHFFFAOYSA-N 380.401 0.312 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)CCN3CCCCCC3=O)CCO2)n1 1857710102 HSKFILJPIBITRG-AWEZNQCLSA-N 380.449 0.012 0 50 GCAA Cc1nnc(N2C[C@@H](C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)s1 1857710189 LAFNSHHPAZGTSB-LBPRGKRZSA-N 387.469 0.775 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N3[C@H]4CC[C@@H]3[C@@H]3CNC[C@@H]34)CC2=O)s1 1857724115 MMKPOPMDOWNWEY-RGDJUOJXSA-N 391.497 0.636 0 50 GCAA CCc1nccn1CCC(=O)N1CCc2ncc(CNS(C)(=O)=O)cc2C1 1875251605 ZMMDOWODKVWLCJ-UHFFFAOYSA-N 391.497 0.865 0 50 GCAA CCN=c1[nH]cnc2cc(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)ccc12 1875267726 IZBIRLVESFNHJX-OAHLLOKOSA-N 384.484 0.801 0 50 GCAA CC(C)[C@@H](O)Cc1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355956 HZNYVYSKYFAYHP-SJORKVTESA-N 397.435 0.588 0 50 GCAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 1875370340 KWTMHQKVSLHKGZ-ZDUSSCGKSA-N 381.473 0.898 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2cn(C)nc2-c2ccccc2)N1C 1875398790 FHXYDRPOANQZAB-KDOFPFPSSA-N 394.497 0.447 0 50 GCAA COC(=O)C[C@H]1CSC(NC(=O)[C@H]2CCC(=O)N(CC(F)(F)F)C2)=N1 2325780112 HZADPCFAXISQLC-IUCAKERBSA-N 381.376 0.938 0 50 GCAA CCCN(CC(=O)O)C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896292 VSRMYCSHTGZTHQ-AWEZNQCLSA-N 387.392 0.384 0 50 GCAA O=C(c1cn[nH]c1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 23373551 VBVQYSCUNYCHRK-WOJBJXKFSA-N 383.496 0.845 0 50 GCAA CC(C)(C)c1csc(NC(=O)CN2CCN(C(=O)c3nc[nH]n3)CC2)n1 67755360 ZTAAMRCPMFGHPG-UHFFFAOYSA-N 377.474 0.955 0 50 GCAA CN(C)[C@H]1CCN(S(=O)(=O)c2cccc3c2nnn3C)C[C@H]1CCCO 91452612 YPQALBKBWIPIJZ-KGLIPLIRSA-N 381.502 0.682 0 50 GCAA CN1CC[C@]2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C 95367096 LOUXHBNOJYINLV-LJQANCHMSA-N 392.479 0.585 0 50 GCAA COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(N)=O)[C@H]2C(N)=O)cc1 109794938 FDRDLEDRBRPMKE-LPEHRKFASA-N 393.446 0.416 0 50 GCAA CNC(=O)CN1CCC(NC(=O)c2sc(-c3cnn(C)c3)nc2C)CC1 115025439 RHFPTTPABWBBOO-UHFFFAOYSA-N 376.486 0.792 0 50 GCAA Cc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)c1C 247493792 CKDNBGBFBVGZKA-CABCVRRESA-N 386.495 0.186 0 50 GCAA COc1ccc([C@H](CC(=O)O)NC(=O)Cn2ccc(O)nc2=O)cc1OC 262458870 QKOVTDJAGASWQF-NSHDSACASA-N 377.353 0.298 0 50 GCAA CN1C(=O)N[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)O)c(F)c3)CC[C@@H]21 285123965 QARYFZJDHILIBD-NEPJUHHUSA-N 387.389 0.076 0 50 GCAA O=C(NC[C@H]1CS(=O)(=O)CCO1)[C@@H](c1cccc(F)c1)N1CCOCC1 332778382 LVUHEEYVHLIEIP-JKSUJKDBSA-N 386.445 0.129 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 373255696 MLJFCXGCCDLVCE-ULQDDVLXSA-N 386.500 0.504 0 50 GCAA CC(C)CN1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C[C@H]1CCO 952977372 QFQLGMJCLVAWGP-CQSZACIVSA-N 397.497 0.845 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cc1 1506428569 PRNCSVJEUUQFKI-INIZCTEOSA-N 381.498 0.514 0 50 GCAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCOC[C@H](C(=O)O)C3)ccc21 1775983639 PVNBIDYVOBXMBW-CQSZACIVSA-N 382.438 0.707 0 50 GCAA CC(=O)NCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857709625 IXDDBVLOQUEMFA-ICSRJNTNSA-N 375.469 0.548 0 50 GCAA CCCO[C@H]1C[C@@H](c2nc(CC(=O)NC)nn2-c2cnn(C)c2)CC[C@@H]1N 1875248903 WYYBXEJLUNRNBB-QEJZJMRPSA-N 375.477 0.679 0 50 GCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccccc3N3CCC(=O)NC3=O)C[C@@H]21 1875251572 WLBAEQWDYODFHD-GJZGRUSLSA-N 386.408 0.205 0 50 GCAA COC(=O)C[C@H]1CSC(NC(=O)c2ccc(S(N)(=O)=O)cc2Cl)=N1 1875257213 CVBBRGSABBUUGG-ZETCQYMHSA-N 391.858 0.752 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NCC[C@@H]4CCCNC4)cccc3C2=O)C(=O)N1 2325896087 QTODTHWMARHKDO-SUMWQHHRSA-N 398.463 0.567 0 50 GCAA COCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N(C)[C@H](C)Cc1ccsc1 2332237544 AODSBXRLVRSOAA-MRVWCRGKSA-N 388.511 0.313 0 50 GCAA Cn1nc2n(c1=O)C[C@H](C(=O)Nc1c(-c3ccccc3)cnc3ncnn13)CC2 2356165780 OCJQWSDTXVGCIZ-CYBMUJFWSA-N 390.407 0.888 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2)cc1 4807475 OIJXIWGVZMHSHO-UHFFFAOYSA-N 396.490 0.955 0 50 GCAA CN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 20999432 MUYVHBDTYIBOAG-KRWDZBQOSA-N 382.530 0.993 0 50 GCAA Cn1cc(S(=O)(=O)N2CCCN(Cc3cccs3)CC2)c(=O)n(C)c1=O 30383623 ZBAALGJBXJTYDL-UHFFFAOYSA-N 398.510 0.042 0 50 GCAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@H]1CC(=O)NCc1ncc[nH]1 67856593 WACOOAQZJDDUIC-OAHLLOKOSA-N 399.451 0.786 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3cc(C)nc(N)n3)CC2)C1 71765414 YKQSPUAZUVWPHT-HNNXBMFYSA-N 376.505 0.811 0 50 GCAA CC(C)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)[C@H]2CS(=O)(=O)C[C@H]21 72431137 XTAFNBCQRNKOCY-JKSUJKDBSA-N 394.493 0.924 0 50 GCAA COCC(=O)N1CCN(C(=O)CCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 77503532 KDGUIEJFUDPGCF-DLBZAZTESA-N 394.493 0.492 0 50 GCAA Cc1nc(CN(C)S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOC3)cc2)no1 91745558 MRWZJTWULRYRDK-CYBMUJFWSA-N 380.426 0.717 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)no1 95354759 ISJYDHKVCINSGS-UHFFFAOYSA-N 379.442 0.244 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccc(O)c2)CN1C(=O)COCC 96160881 NACALUPDWFHFJY-ZBFHGGJFSA-N 377.441 0.193 0 50 GCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[C@@H](N2CCCC2)C1 171447193 KSKZWGJIQPYQDT-GOSISDBHSA-N 382.464 0.755 0 50 GCAA NS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 298859794 RKHIMPBBXCXSFO-ZDUSSCGKSA-N 376.442 0.915 0 50 GCAA NCCOc1cccc(CC(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c1 426383696 BFVDIITURWKJIW-UHFFFAOYSA-N 390.484 0.599 0 50 GCAA O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2nc[nH]n2)CC1 426414526 HPFBYDBZXXYAQM-UHFFFAOYSA-N 383.456 0.959 0 50 GCAA COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1nc(-c2ccccc2F)ccc1=O 888090490 CIZGOYNPGMBMHU-INIZCTEOSA-N 399.382 0.673 0 50 GCAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(=O)n(C)c2)cc1OC 1529106438 PKQVKNXFXKFMJX-IEBWSBKVSA-N 388.420 0.977 0 50 GCAA O=S(=O)(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 2886339 PCBJPVQGNOVFHY-UHFFFAOYSA-N 394.563 0.456 0 50 GCAA CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 6729229 LXGPGCGDFPYASK-UHFFFAOYSA-N 397.472 0.917 0 50 GCAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CNC(C)=O)C2)cc1 12759308 FWALKMOEKCPYNA-AWEZNQCLSA-N 383.470 0.348 0 50 GCAA Cc1c[nH]c(CN(C)C(=O)C[C@H]2COCCN2C(=O)N2CCN(C)CC2)n1 72457578 GLINXJZYHPOZQB-HNNXBMFYSA-N 378.477 0.135 0 50 GCAA NC(=O)CN1CC2(CCC1=O)CCN(C(=O)[C@H](O)c1ccc(F)cc1)CC2 91551204 UVZOAZCGRZHQQQ-QGZVFWFLSA-N 377.416 0.576 0 50 GCAA CN1CCC(Cc2nc(Cn3ccnc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 91595848 ZAERTVDKZPFBQT-HNNXBMFYSA-N 378.502 0.767 0 50 GCAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CNCC(=O)N2)CC1 95526009 TWLMIRFQUQFMDF-GOSISDBHSA-N 386.496 0.752 0 50 GCAA Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=N[C@H]1c1ccc(F)cc1)C(=O)NN2 138126802 IUEWAGVJRJORLA-HOTGVXAUSA-N 380.358 0.608 0 50 GCAA in-vitro O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 186619925 XOVYZFGMUFKYPX-GOSISDBHSA-N 384.480 0.845 0 50 GCAA O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCCCn2cccn2)c1 215518931 CXCDKQDORJHKIU-OAHLLOKOSA-N 377.470 0.343 0 50 GCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CC1)C(=O)NCCCN2C 215804943 YRSPZPBXIULMHO-UHFFFAOYSA-N 375.473 0.132 0 50 GCAA CN1CCCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)CC1 244874204 WWKBHMGHAYWYDP-OAHLLOKOSA-N 381.498 0.779 0 50 GCAA NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCc2nccn2C1 275294504 MCZCMIQDAYSDGV-NSHDSACASA-N 398.872 0.942 0 50 GCAA Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2n(C)c1=O 329452104 LSXCFWVDIKFRJK-CYBMUJFWSA-N 399.451 0.107 0 50 GCAA CC(=O)c1cc2c(cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)OCCO2 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CN(C)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1CCC(=O)O 91770383 NPLWRWADGFLDNM-HIFRSBDPSA-N 383.470 0.591 0 50 GCAA COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)nc(OC)n1 95383001 BYXYANWANLGMFT-CVEARBPZSA-N 379.505 0.709 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccnn2C)CN1C(=O)C1CCC1 96130821 CWXVXACOENYVIH-ZBFHGGJFSA-N 375.473 0.788 0 50 GCAA Cc1nc(COc2cccc(-n3cnnn3)c2)n([C@H]2CCS(=O)(=O)C2)n1 96152612 YPGXWFNJCXGPGS-ZDUSSCGKSA-N 375.414 0.501 0 50 GCAA Cn1cnnc1Sc1ccc(-c2nccn2[C@H]2CS(=O)(=O)C[C@@H]2O)o1 216404984 POYBUYIDJOXCTP-UWVGGRQHSA-N 381.439 0.753 0 50 GCAA 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 265450378 KRCRFRLPVQRJKG-SKRAFVOUSA-N 386.429 0.438 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 328608399 AHENRYCNPVTWHL-CYBMUJFWSA-N 392.437 0.665 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2ccc3c(c2)OCCO3)CC1 328646552 SRISRAWBKFLCFQ-UHFFFAOYSA-N 398.437 0.409 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)CCn3nc(C)c(C)c3C)C[C@]2(C(=O)O)C1 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0.203 0 50 GCAA COCCn1nnc([C@H]2CN(CCS(=O)(=O)c3ccccc3)CCO2)n1 1857721664 AGJOUSIFFPNSBD-OAHLLOKOSA-N 381.458 0.167 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)NCCc3noc(C(C)C)n3)CC2=O)s1 1857737593 UEWBEFFNGMWPFA-JTQLQIEISA-N 394.457 0.903 0 50 GCAA CN1CCN(Cc2ccc(C(=O)N3Cc4nc(O)nc(O)c4C3)s2)CC1 1875302615 YWYBKFZQXUFCPJ-UHFFFAOYSA-N 375.454 0.853 0 50 GCAA COCC(=O)N(C)C1CCN(c2cc(C3CC3)nc(S(C)(=O)=O)n2)CC1 1875329661 BYCRQOJAMBZQQM-UHFFFAOYSA-N 382.486 0.831 0 50 GCAA Cc1cc(CC(=O)N[C@H]2C[C@H](C(=O)N(C)CCc3ccccn3)C[C@@H]2O)on1 1940196913 DLNRVXKLTLCOBW-WBAXXEDZSA-N 386.452 0.877 0 50 GCAA CC1(NC(=O)COc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCC1 2325896900 JYGDBRBWPVOBEV-CQSZACIVSA-N 385.420 0.885 0 50 GCAA CC(C)OC[C@H](O)CN1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 20233055 CTJJTIFLCVWQMV-SJORKVTESA-N 396.484 0.559 0 50 GCAA COc1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c(OC)c1 20726482 IJMSERVECGQLFP-ZDUSSCGKSA-N 375.425 0.781 0 50 GCAA CCc1csc(CCNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 20998090 FOTGJBSYPATLRX-OAHLLOKOSA-N 394.541 0.935 0 50 GCAA Nc1nc(CC(=O)NCc2cccnc2-n2cnc3ccccc32)cc(=O)[nH]1 67473322 IROJLWMUNJISLQ-UHFFFAOYSA-N 375.392 0.945 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)C3CCOCC3)C2)nn(CCN(C)C)c1=O 67675100 BZGPIXQCHGBHON-INIZCTEOSA-N 379.505 0.759 0 50 GCAA CC(C)[C@H]1CN(C(=O)COCC(N)=O)CCC(=O)N1Cc1ccc(F)cc1 72156322 VXPCYYBVRYXCIE-MRXNPFEDSA-N 379.432 0.913 0 50 GCAA CN(C)[C@H](C(=O)N1CCN(CCN2CCOCC2)CC1)c1cccc(F)c1 91536833 MTAPEUBLCAZUJO-IBGZPJMESA-N 378.492 0.905 0 50 GCAA COc1cc(CN2CCOCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 95512944 UWCPNOXUXZUHMY-SFHVURJKSA-N 380.485 0.724 0 50 GCAA CCn1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NCCOC)n1 239402659 QWWCLSHJQWSNQJ-FDYHWXHSSA-N 380.401 0.096 0 50 GCAA CN1C[C@@H](C(=O)NC(C)(C)C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)CC1=O 333663694 BLMZLBHJDCFZCF-UONOGXRCSA-N 392.500 0.076 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)/C=C/c2cnc(N)nc2)cc1 952970044 PRFCAFRSRVRAHX-VMPITWQZSA-N 375.454 0.865 0 50 GCAA COCC(=O)N1CCN(C(=O)NC[C@@H]2CCCOC2)CCC12CCOCC2 1775962900 UCNOCWVRVMCJJZ-INIZCTEOSA-N 383.489 0.853 0 50 GCAA O=C1CCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)C3Cc4ccccc4C3)C2)CCN1 1857684802 DRNWONIEEOHXIT-QXAKKESOSA-N 399.491 0.396 0 50 GCAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCc1nc[nH]n1 1857694598 FJRRXMLYZJVJDW-OAHLLOKOSA-N 380.456 0.908 0 50 GCAA N=c1ccnc(N2CCC([C@@H](O)CN3CCC(N4CCOC4=O)CC3)CC2)[nH]1 1857724678 MUXSHRDFBWFPTI-INIZCTEOSA-N 390.488 0.383 0 50 GCAA CN1CCN(C(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)CC1 1875247665 NVDRRQQBHJHKTH-KKUMJFAQSA-N 375.425 0.059 0 50 GCAA O=C(NC[C@H]1CCN1C(=O)COC1CCOCC1)c1nn[nH]c1C(F)(F)F 2325828012 WMQSIFHKDZZPPA-SECBINFHSA-N 391.350 0.350 0 50 GCAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)Cc3ccsc3Br)CO[C@H]12 2325865605 IUUNNHFIWBVBNU-YRRQLQLVSA-N 389.271 0.840 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 2356149357 WNGZGEJGZSMZGR-PLABTITMSA-N 394.903 0.207 0 50 GCAA 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CNC(=O)c1ccn([C@H]2CCCN(C(=O)c3cncc(-n4ccnn4)c3)C2)n1 283316886 WTQVCYONEJCSPZ-AWEZNQCLSA-N 380.412 0.696 0 50 GCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)n1 328615150 XVEWPPLZYMEZGJ-INIZCTEOSA-N 381.410 0.685 0 50 GCAA Cc1ncsc1CN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 827969696 NVYDCRJOZCSEHQ-UHFFFAOYSA-N 377.474 0.332 0 50 GCAA CCc1ccc(CN2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 1073412627 CUWLCFIYHCFWOZ-DLBZAZTESA-N 375.498 0.851 0 50 GCAA CCc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704339090 CWCLMOVCYDWANV-ZFWWWQNUSA-N 376.500 0.434 0 50 GCAA CCn1nccc1C(=O)NC[C@@]1(C)CN(c2nc(C)nc3c2cnn3C)CCO1 1775992961 XFDPMPOZSAZTNU-IBGZPJMESA-N 398.471 0.913 0 50 GCAA CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)C[C@H]1NC(=O)c1cccc(C(N)=O)c1 1775996762 HTRDODORMNHJBO-BJKJVOPESA-N 375.425 0.309 0 50 GCAA CS(=O)(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1857683293 UMDIGAAPIBQDCZ-QGZVFWFLSA-N 391.453 0.348 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)C1=O 1857735847 USIYDEFXBGAPSY-OWCLPIDISA-N 386.452 0.647 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)[C@H](N)c2ccccc2C(F)(F)F)N1C 1875302050 YKQFLLWBVYOGKC-XFJVYGCCSA-N 375.391 0.903 0 50 GCAA Cn1nncc1-n1cc(COCC(=O)NC[C@H]2CC[C@H](CC(=O)O)CC2)nn1 1875353804 GPLYZEVNTBTYRF-JOCQHMNTSA-N 391.432 0.310 0 50 GCAA Nc1ncnc2c1ncn2CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1 2325757263 WMRQHOCIHFEPBP-UHFFFAOYSA-N 392.416 0.528 0 50 GCAA CN1[C@@H](C(=O)NCCCn2ccnc2)C[C@@H](c2cccs2)NS1(=O)=O 12087358 NACKPBBFWJICND-QWHCGFSZSA-N 383.499 0.731 0 50 GCAA O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCN(c3cnccn3)CC2)C1 14955875 SJCKVAJZCWSOBQ-IRXDYDNUSA-N 389.481 0.033 0 50 GCAA Cc1cc(C)nc(N2CCC(Cn3cc(CN4CCNC(=O)C4)nn3)CC2)n1 77375256 WLYLFYGEXRZGSJ-UHFFFAOYSA-N 384.488 0.533 0 50 GCAA Cc1ncc(C(=O)N2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)c(C)n1 91468257 BWNVQGGUEWTELT-FQEVSTJZSA-N 379.420 0.709 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(CCC(=O)NCc1ccco1)C2 95358684 KMXPMPSEHPNYHX-HUUCEWRRSA-N 384.502 0.489 0 50 GCAA COc1cc(OC)cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c1 95502088 WAZQPZYMTIHDAK-DZGCQCFKSA-N 389.452 0.855 0 50 GCAA CN1C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)Oc2ccccc21 97713561 MKGYMUHVQQDPPN-KRWDZBQOSA-N 375.450 0.890 0 50 GCAA CN1CCN(S(=O)(=O)N2CCN(C(=O)c3coc4ccccc34)CC2)CC1 113416660 ZMXIRQWRRMOVRX-UHFFFAOYSA-N 392.481 0.683 0 50 GCAA CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)cn1 150908154 PKGSLSAMCCWIBL-MRXNPFEDSA-N 375.404 0.642 0 50 GCAA Cn1cc(N2CCN(CCN(Cc3ccccc3)S(C)(=O)=O)CC2=O)cn1 192060739 VYRRKUCIGFNTTA-UHFFFAOYSA-N 391.497 0.531 0 50 GCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCN1 262618021 HZBVIXCCRFEAEF-TZMCWYRMSA-N 393.465 0.444 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cc(Cl)cnc3N)C2=O)n(C)n1 269755332 FAQQOMOAAGMFFX-NSHDSACASA-N 398.876 0.833 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2C)cc1Cl 1506396014 GBECGVXLQNNSRH-VIFPVBQESA-N 376.818 0.655 0 50 GCAA Cc1c(NC(=O)CN2CCCN(S(=O)(=O)N3CCCC3)CC2)cnn1C 1506396047 FKPYHHSQMMWING-UHFFFAOYSA-N 384.506 0.015 0 50 GCAA Cc1cc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc(-c2ccccc2O)n1 1529100471 UYCLIGCCNZQODD-XJKSGUPXSA-N 392.481 0.846 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(-c2cn[nH]c2)c1 1704300372 UIYMLLDJPDOTIT-HOTGVXAUSA-N 378.454 0.713 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(-c2ccccc2)[nH]n1 1704342426 CDFYSGMMUCRVTJ-XJKSGUPXSA-N 378.454 0.713 0 50 GCAA Cc1nonc1CC(=O)N1CCOC2(CCN(c3cnc(F)cn3)CC2)C1 1775992260 QIQVQHWHOQGADW-UHFFFAOYSA-N 376.392 0.748 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCCN(C)C)CC[C@@H]1NC(=O)Cn1cccn1 1875240870 IZCAGJYAWOUVGP-ULQDDVLXSA-N 379.505 0.641 0 50 GCAA CCCc1cc(=O)n2[nH]c(NC(=O)[C@@H](c3cccnc3)N3CCOCC3)nc2n1 1875245451 AKOKSZBKWRPPTF-MRXNPFEDSA-N 397.439 0.777 0 50 GCAA O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1875266270 RKKSEUOLLNDADR-ZFWWWQNUSA-N 389.408 0.176 0 50 GCAA CCc1cc(N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)nc(N2CCOCC2)n1 2100483012 MJBXBQPAWIZBTM-HOCLYGCPSA-N 391.472 0.097 0 50 GCAA CCn1ncnc1CN1CC[C@@]2(C1)c1ncn(C)c1CCN2C(=O)c1cnco1 2325776803 AJNYDCZZULVRBX-LJQANCHMSA-N 396.455 0.819 0 50 GCAA Nc1ncccc1C(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896279 VLWLUJSUNNXNRL-OAHLLOKOSA-N 393.403 0.355 0 50 GCAA CCOC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 12453289 MAFRPWNAKJECHF-INIZCTEOSA-N 391.468 0.764 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cc1 19888956 JNFYKODINBDONU-HNNXBMFYSA-N 381.498 0.870 0 50 GCAA COC(=O)c1ccc(CN2CCN(C(=O)c3nn(C)cc3C(=O)O)CC2)cc1 20616423 KSLILZDZPSPVRG-UHFFFAOYSA-N 386.408 0.863 0 50 GCAA CCn1c(C2CCN(C(=O)[C@H](C)Cn3nc(C)nc3C)CC2)nn(C)c1=O 67446632 NTESGRLPSVAQAD-GFCCVEGCSA-N 375.477 0.852 0 50 GCAA COCCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71721274 GSYLULBBSAXKQN-QGZVFWFLSA-N 380.533 0.500 0 50 GCAA CC[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C1 77455159 XCLLPCFUKHSTMA-KRWDZBQOSA-N 380.514 0.245 0 50 GCAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 91893903 OCJSPVAHHOHFRF-LJQANCHMSA-N 389.456 0.018 0 50 GCAA CC(C)CN1CC2(CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)CC1=O 95384775 KYPMIHLNYLDWGL-INIZCTEOSA-N 378.517 0.681 0 50 GCAA O=C(CCCn1nnnc1CN1CCOCC1)NCc1nc2ccccc2o1 95505169 IVUKXWZMDAWHSB-UHFFFAOYSA-N 385.428 0.743 0 50 GCAA COC[C@@H]1CN(c2nc(N3CCO[C@@H](COC)C3)nc3c2SCC3)CCO1 225821076 QFCOQSFWDPHVBQ-UONOGXRCSA-N 396.513 0.828 0 50 GCAA NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCc2nccn2C1 275294501 MCZCMIQDAYSDGV-LLVKDONJSA-N 398.872 0.942 0 50 GCAA C[C@@H]1OCC[C@]12CN(C(=O)NCCNS(=O)(=O)c1cccnc1)C[C@@H](C)O2 366151262 IYJKZCYMTYOXJI-KEYYUXOJSA-N 398.485 0.338 0 50 GCAA Cn1cc(-c2nnc3n2CCN(C(=O)[C@@H]2CC(=O)N(Cc4ccco4)C2)C3)cn1 370947579 MSOAQEZZIDPABV-CYBMUJFWSA-N 395.423 0.663 0 50 GCAA CN(Cc1ccon1)C(=O)Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1 426370537 RPJHGOBUXVSVCW-SFHVURJKSA-N 397.439 0.741 0 50 GCAA O=C(CCn1cncn1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426477344 GVXXGOQDNWXVFU-KRWDZBQOSA-N 390.488 0.029 0 50 GCAA CC(C)C(=O)N1CCn2nc(CNC(=O)N(C)C[C@H]3COCCO3)cc2C1 534586800 KGSHPUJKONDFAC-INIZCTEOSA-N 379.461 0.438 0 50 GCAA COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCN(C)C)cc1F 1565510820 SGYKWPWSWGHPRA-HOCLYGCPSA-N 376.450 0.848 0 50 GCAA Cc1cc(N)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C)on2)CCO3)n1 1857682196 RUDJAONMSQTOSU-SFHVURJKSA-N 388.428 0.214 0 50 GCAA C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC32CCN(C(=O)CN)CC2)CCO1 1857699270 KEKLWPRRISLMOA-CYBMUJFWSA-N 393.509 0.958 0 50 GCAA Cc1ccc(OCC(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)CC[C@@H]2O)cc1C 1857708302 MPGVPCIPDUMBOQ-MSOLQXFVSA-N 386.452 0.726 0 50 GCAA O=C(Cn1cccnc1=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(c2cnccn2)CCO1 1857713427 IGWLPFXTRQIVLF-IGOJGBNBSA-N 396.451 0.462 0 50 GCAA CN(C)C(=O)NCCN(C)c1ncnc2c1ncn2C[C@H](O)[C@@H]1CCCO1 1875269077 CVZAPYFWTOBXSP-STQMWFEESA-N 377.449 0.074 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(c3nonc3C)CC2)OCC(=O)N1C 1940197581 AJGCDBAGBFDDNJ-MSOLQXFVSA-N 399.451 0.934 0 50 GCAA COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2c1 1087962 UAIWBWUCFKDRPU-UHFFFAOYSA-N 392.437 0.691 0 50 GCAA biogenic,in-vitro O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccs1 14750487 IAUONAYDLBVDIB-CFVMTHIKSA-N 385.445 0.894 0 50 GCAA CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)sc(C(N)=O)c1C 23095776 ZEVXUKYTWJZEFZ-UHFFFAOYSA-N 382.486 0.908 0 50 GCAA Cc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1NC(=O)C1CC1 65434958 WUADNUYRPOVWKU-JKSUJKDBSA-N 377.466 0.555 0 50 GCAA NC(=O)C1(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)CC1 71715068 LKIXNMAQMCDEDR-IAGOWNOFSA-N 390.459 0.175 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C)CC2)c1OC 72151686 GBBPBFZGVQSOPR-MRXNPFEDSA-N 390.484 0.168 0 50 GCAA C[C@H](CC(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2)N1CCOCC1 77341670 PZNXGRALZPJOKK-MRXNPFEDSA-N 382.505 0.472 0 50 GCAA COc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)cc1 92004739 MWNDZYSBMJCCDP-RTBURBONSA-N 375.513 0.942 0 50 GCAA COCCCN1CC2(CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)CC1=O 95363427 MXNMKHDRDFJKCN-OAHLLOKOSA-N 377.485 0.875 0 50 GCAA CC(C)N1CCC[C@H](N2CCN(c3ccccc3S(N)(=O)=O)CC2)C1=O 190294442 UBIAENJHUMWCJK-INIZCTEOSA-N 380.514 0.855 0 50 GCAA Cc1cc(=NC(=O)C[C@H]2NC(=O)c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159159 IXFWGCOYNVXCTQ-IUODEOHRSA-N 388.449 0.786 0 50 GCAA CCNC(=O)c1ccc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)nc1 1704329868 CZLFZQLTECOGSC-UHFFFAOYSA-N 381.502 0.684 0 50 GCAA COc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1ncnn1C 1857681667 BSYMTIQLCNSRTE-GJZGRUSLSA-N 399.451 0.647 0 50 GCAA CS(=O)(=O)N(CC(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13)c1cccc(F)c1 1857731104 KRNHRMYTNVVSOW-PBHICJAKSA-N 397.428 0.151 0 50 GCAA CN(CCc1ccccn1)C(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)C2CCOCC2)C1 1940197651 GBFPOUQZSYMULF-SZMVWBNQSA-N 375.469 0.765 0 50 GCAA COc1nc2c(cc1CNC(=O)C[C@@H]1COCCN1)C(=O)N(C1CCCC1)C2 71662098 SJZGYGZECYWOTN-CQSZACIVSA-N 388.468 0.983 0 50 GCAA CC(C)[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)CCC(=O)N1CC1CC1 71768104 AZMUTTKBOKLXPW-HNNXBMFYSA-N 376.457 0.422 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2c(ncnc2N(C)C)C1 71771397 AWNOJQKEERDLTP-UHFFFAOYSA-N 391.453 0.397 0 50 GCAA CC(C)CC(=O)N1CCN(C(=O)CCn2cccn2)[C@H]2CS(=O)(=O)C[C@H]21 72427958 RYEFLJBFWSNGCE-LSDHHAIUSA-N 382.486 0.156 0 50 GCAA CCN1CCN(CCN2CC3(CCN(C[C@@H]4CCOC4)CC3)OC2=O)CC1 72453431 RNRYDUHZFOYBEU-SFHVURJKSA-N 380.533 0.947 0 50 GCAA CC(C)=CCN1CCN(C(=O)CCc2n[nH]c(C)n2)[C@H]2CS(=O)(=O)C[C@H]21 72477977 IDEDFABOWBFOOD-CABCVRRESA-N 381.502 0.322 0 50 GCAA CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 91326903 QFBIEHQBQUNQOM-LSDHHAIUSA-N 383.518 0.565 0 50 GCAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NC(=O)c2n[nH]c(N)n2)C1 91876639 UPMGAHPFZVEBSM-GFCCVEGCSA-N 386.460 0.582 0 50 GCAA NC(=O)Cc1nc(CN2CCN(c3ncccn3)CC2)n(-c2ccccc2)n1 92045723 AMRZYGRAWIGGMT-UHFFFAOYSA-N 378.440 0.407 0 50 GCAA O=C(c1cnc2ccccc2c1)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95372736 MZJCDMJEZOMQHS-SJORKVTESA-N 375.450 0.151 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccnc(CC)c2)CN1C(=O)CSC 96179617 PIBFHCHUOSJYJO-CABCVRRESA-N 378.498 0.842 0 50 GCAA COc1ccc(OC[C@@H](O)Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)cc1 100528695 BRMOOZJPBIJXCW-VIFPVBQESA-N 378.410 0.161 0 50 GCAA Cc1cccc2cc(C(=O)N3CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C3)oc12 299791156 DIDOZTIGANNZJM-ZIAGYGMSSA-N 381.454 0.713 0 50 GCAA COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)CCC2 888101588 FTKUWCDNNFKBQM-RDBSUJKOSA-N 386.474 0.018 0 50 GCAA CN1CCCN(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)CC1 1565531464 CSKHYYLPLFACKX-OALUTQOASA-N 377.485 0.469 0 50 GCAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@@]2(CO)C1 1772706458 CPKZRBPNEKRCKM-YWZLYKJASA-N 396.451 0.355 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)N1CCCN(C(=O)CCn2cccn2)CC1 1775984280 MPDCWDUHWVLAQW-MRXNPFEDSA-N 399.517 0.163 0 50 GCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cnc3ccccn3c2=O)CC1 1875250935 DGACACLSGCDZIB-UHFFFAOYSA-N 392.419 0.723 0 50 GCAA CCOC(=O)[C@@]1(F)CN(C(=O)N2CCOC[C@H]2c2cnn(C)c2)CC12COC2 1875318618 JIBBWQGDLPQUCF-KSSFIOAISA-N 396.419 0.517 0 50 GCAA O=C(c1cn2c(n1)CCN(c1ccnc3[nH]ncc13)CC2)N1C[C@@H](O)[C@H](F)C1 1940196325 CDRNQEHURHTWBI-IUODEOHRSA-N 385.403 0.372 0 50 GCAA Cc1cc([C@H](O)[C@H](C)NC(=O)[C@@](C)(O)CN2C(=O)NC(C)(C)C2=O)ccc1F 2325861272 KUBGAGYYFPXPKO-SZEPBZDZSA-N 395.431 0.754 0 50 GCAA COc1cc(NC(=O)CCOCCOCCN)ccc1N1CCC(=O)NC1=O 2325898943 GDGZMFMHFUJKRI-UHFFFAOYSA-N 394.428 0.462 0 50 GCAA C[C@H]1CN(C(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H](C)O1 12417916 VNVVVOPRQHBSTJ-TXEJJXNPSA-N 379.442 0.379 0 50 GCAA CCc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1 20453748 ZIHMWYVJYUUJBR-QGZVFWFLSA-N 396.495 0.794 0 50 GCAA CN1CCC(O)(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 67850228 FULCCGYOEUESDN-OAQYLSRUSA-N 375.513 0.629 0 50 GCAA O=C(O)COc1ccccc1CN1CCN[C@H](C(=O)NCc2ccncc2)C1 72164756 LPTQQXWXUTYNJI-KRWDZBQOSA-N 384.436 0.635 0 50 GCAA COCCN1C[C@@]2(CCCN(C(=O)CCN3CCN(C)CC3)C2)CCC1=O 91643780 WLJRDCQKMGSAEC-FQEVSTJZSA-N 380.533 0.502 0 50 GCAA CCCn1ncc(CN2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 91873271 DBURFCHZLMVRCE-CVEARBPZSA-N 384.502 0.359 0 50 GCAA COCCn1nnnc1[C@H]1CN(C(=O)c2c(C)nc3sccn23)CCO1 97785023 NWQLDHKPXDVGCI-LLVKDONJSA-N 377.430 0.551 0 50 GCAA Cc1cnc(C(=O)N2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)cn1 213219030 WCMHBMJYKQWRIP-CVEARBPZSA-N 375.429 0.153 0 50 GCAA COCC(=O)N1CC[C@@]2(O)CCN(CC(=O)NCc3ccccc3)C[C@H]2C1 247815662 FXMGQMXWUCRDPC-PXNSSMCTSA-N 375.469 0.235 0 50 GCAA COc1ccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c(OC)c1 248127117 IIGRVGJYTZNPSY-GUYCJALGSA-N 384.454 0.482 0 50 GCAA CC[C@H](C)c1cc(C(=O)N(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CCNC2)on1 328644108 RRWTVHPACDKJAB-JSGCOSHPSA-N 389.456 0.590 0 50 GCAA Cc1ccn2cc(C(=O)N(CC(=O)O)C3CCN(S(C)(=O)=O)CC3)nc2c1 328646485 SOOHSQWARXQDSO-UHFFFAOYSA-N 394.453 0.594 0 50 GCAA CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H]1CC(=O)N(c3cccc(O)c3)C1)C2 426597325 ZSNBAEVOSFAUTP-CQSZACIVSA-N 397.435 0.620 0 50 GCAA Cn1cc(S(=O)(=O)N[C@@H](Cn2cccn2)c2ccccc2)c(=O)n(C)c1=O 607363033 QXMWTXPLNCTDRO-AWEZNQCLSA-N 389.437 0.000 0 50 GCAA C=CC(=O)NCc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1 1468852788 IOHQSAIJOVNNHO-HOTGVXAUSA-N 378.450 0.517 0 50 GCAA Cc1cccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 1506420241 ZIFBMDVUWRDOGS-KRWDZBQOSA-N 396.513 0.231 0 50 GCAA CSCC(=O)N1C[C@@H]2CN(C(=O)CCCn3cncn3)C[C@]2(CN(C)C)C1 1772706842 PQZGDHXIIAXSFF-MAUKXSAKSA-N 394.545 0.270 0 50 GCAA Cc1cc(C)n(CC(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c(=O)n1 1857715759 GRUJWIXCAKVJLW-UHFFFAOYSA-N 384.440 0.275 0 50 GCAA COC(=O)[C@H]1C[C@@H](OC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CN1C 1875344822 NIVMVWJBDHZVCR-DGCLKSJQSA-N 388.380 0.235 0 50 GCAA CN(CCc1cnn(C)c1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 2100556471 ARXINRGGHLYHOQ-IAOVAPTHSA-N 389.431 0.525 0 50 GCAA Cc1nc(C(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)no1 2325887072 SQIMDQXKRWQFFC-CYBMUJFWSA-N 383.364 0.069 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccon2)c(F)c1 11953937 STSSVBLONQHDJW-MRXNPFEDSA-N 376.388 0.829 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 53507631 ILQVMUCMCCEBJE-LBPRGKRZSA-N 378.454 0.863 0 50 GCAA CCn1c(C2CCN(C(=O)[C@@H](C)Cn3nc(C)nc3C)CC2)nn(C)c1=O 67446631 NTESGRLPSVAQAD-LBPRGKRZSA-N 375.477 0.852 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)Cn3nnc4ccccc4c3=O)C2)n[nH]c1=O 67948015 ANTTXKFYJKHXIP-GFCCVEGCSA-N 383.412 0.102 0 50 GCAA Cn1c(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc(=O)n(C)c1=O 95504761 JWARNSSLHHIYRW-UHFFFAOYSA-N 375.400 0.701 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 243441308 NBYPTVXCGRAWFP-INIZCTEOSA-N 389.452 0.554 0 50 GCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1=O 366129974 YHYCTHQMFQRJMC-FQEVSTJZSA-N 399.451 0.189 0 50 GCAA COC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCOC[C@H]32)s1 366335087 VHODLJZXOPBPPM-CHWSQXEVSA-N 390.483 0.825 0 50 GCAA NC(=O)C1CCN(CCCNC(=O)c2ccc(-c3ccnc(N)n3)cc2)CC1 426537769 VQXSHVYKEHMHGL-UHFFFAOYSA-N 382.468 1.043 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@H]1O 1529104783 SUJGAVCZRPVXQK-APPDUMDISA-N 383.445 0.351 0 50 GCAA COc1ccc([C@H]2CN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]2N(C)C)cc1 1565508802 BZAOUJNSWZLOQZ-SJORKVTESA-N 386.452 0.822 0 50 GCAA Cc1cn(CCNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)nn1 1772815062 ICTCQFMRTLQXJV-CYBMUJFWSA-N 376.486 0.801 0 50 GCAA CC(C)C[C@H](NC(=O)CCc1nc2c(O)nc(S)nc2nc1O)C(=O)O 1776003666 CRVFPRGEDWRFPX-QMMMGPOBSA-N 381.414 0.668 0 50 GCAA CCc1ncc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)N3CCC(C)CC3)C2)[nH]1 1857699305 LWIYBULHDSWRTO-RDTXWAMCSA-N 396.513 0.868 0 50 GCAA CC(C)c1nnc(N2C[C@H](C(=O)N3C[C@@H](CO)C[C@@H](CO)C3)CC2=O)s1 1857735802 BLEZQTWPISLYRI-FRRDWIJNSA-N 382.486 0.464 0 50 GCAA COC(=O)C1CC2(C1)C[C@@H](Nc1ncnc3c1cnn3C)CCS2(=O)=O 1875356657 OWBQSTXYKCJZEU-CSJGVYOVSA-N 379.442 0.674 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)CCc3ccc(CO)cc3)C2)cc[nH]1 1875400871 ATCSAADAEGVFFG-SJORKVTESA-N 385.468 0.385 0 50 GCAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN([C@@H](C)CSC)CC2 14541205 UMZFFZYUKOBCLX-ZDUSSCGKSA-N 387.502 0.656 0 50 GCAA CCn1c(C2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)n[nH]c1=O 67678299 WUVPEKJEDLRHIT-UHFFFAOYSA-N 383.412 0.102 0 50 GCAA CN[C@@H](C)C(=O)N1CCc2cccc(S(=O)(=O)N3CCN(C)CC3)c2C1 77456934 XMHGSKLNFDGMJB-AWEZNQCLSA-N 380.514 0.115 0 50 GCAA Cc1cc(C)n(CCC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n1 91551084 HYXGILFOPDZIPA-JKSUJKDBSA-N 383.518 0.619 0 50 GCAA O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 95388814 WLYRTGNRKTYKRB-OAHLLOKOSA-N 378.454 0.770 0 50 GCAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H]2CCCNC2=O)CC1 95510781 CDXCLJCXCHLWLY-MRXNPFEDSA-N 389.452 0.711 0 50 GCAA O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCCC[C@H]3c3ncon3)ccc2[nH]1 170594504 ZQRIFUBVGWMORF-ZDUSSCGKSA-N 391.409 0.905 0 50 GCAA Cc1cc(S(=O)(=O)N2CCN(C[C@@H](O)Cn3cccn3)CC2)c(C)s1 171638067 XHRBDRMDLQBCKL-OAHLLOKOSA-N 384.527 0.929 0 50 GCAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H]4CCN[C@@H]4C3)c2)no1 215412622 LMEVKNAVKLQLST-WMLDXEAASA-N 390.465 0.895 0 50 GCAA Cc1c[nH]c(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)c(C)c1=O 219232432 VJVPBOLMQAEPPP-INIZCTEOSA-N 380.470 0.282 0 50 GCAA O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 245239937 HJWQGNKCQROOEN-HOTGVXAUSA-N 393.513 0.024 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 328605215 MMUPASPRVXVMRP-INIZCTEOSA-N 393.465 0.782 0 50 GCAA O=C1CC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)c2n[nH]c3ccccc23)N1 1857670137 VPEODGRFPFFTPK-QMPXSYISSA-N 393.447 0.903 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCCn2ccnn2)CC[C@@H]1NC(=O)c1ccon1 1875251324 YIWRDCXMTWZWLZ-DZKIICNBSA-N 390.444 0.776 0 50 GCAA C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(O)CC(=O)Nc2ccc(Cl)cc21 1875323612 NASNNLARKNFGOV-ADLMAVQZSA-N 394.859 0.448 0 50 GCAA O=C1NC(=O)[C@]2(CCC[C@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328606 AXBNPAGHXYPSFX-RDTXWAMCSA-N 391.449 0.873 0 50 GCAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)C2CC(n3cccn3)C2)ncn1 2325786069 ZWKKUIYZVMFKTD-BHUNQDJPSA-N 399.499 0.836 0 50 GCAA Cn1ccc(N2CC[C@@H](N=c3nc[nH]n4cc(Br)cc34)C2=O)n1 2325802084 GMNJXGXKPMJYGB-SNVBAGLBSA-N 376.218 0.865 0 50 GCAA CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 2833410 PYSDDDLOLFMHOC-UHFFFAOYSA-N 387.444 0.975 0 50 GCAA Cc1cn(CCNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)nn1 71730375 UUAOFJZZWPXLHQ-UHFFFAOYSA-N 378.440 0.900 0 50 GCAA Cc1ocnc1C(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72430450 DQBJWHOJMHEZEL-KGLIPLIRSA-N 390.421 0.142 0 50 GCAA Cc1c(O)cccc1C(=O)N1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72438567 WCRFQXZBIMDBBS-CABCVRRESA-N 380.466 0.807 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)Cc3cnccn3)C[C@H]2CCC(=O)O)CC1 91587123 BBJWZACUFGCQIJ-WBVHZDCISA-N 375.473 0.348 0 50 GCAA CNC(=O)c1noc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 95498772 DDGVNXVAJSNJNR-CMPLNLGQSA-N 376.442 0.509 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CN2CCCCCC2=O)C1 244774183 PPGMFMDVYXOUSV-OKILXGFUSA-N 379.461 0.182 0 50 GCAA CCn1c(O)nc(=O)c2c(C(=O)NC[C@](C)(O)C(=O)O)cc(C(C)C)nc21 262522639 OBDLERDKIASIGV-KRWDZBQOSA-N 378.385 0.206 0 50 GCAA COCCNC(=O)CN1C(=O)N[C@@H](c2ccc(OC)cc2)C2=C1COC2=O 263617697 PDSCXUHPXSLBSW-INIZCTEOSA-N 375.381 0.335 0 50 GCAA NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cnn(CCN2CCOCC2)c1 264282979 IULNCINDLZOMFS-QGZVFWFLSA-N 386.456 0.433 0 50 GCAA O=S(=O)(c1cccc2nonc12)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 275367221 WSARRDPHYNMBDD-HNNXBMFYSA-N 377.382 0.765 0 50 GCAA CCOC(=O)[C@@H](CC)C(=O)N1CCc2nnc(N3CCN(C)CC3)cc2C1 952894216 QRQHHWFTKIADJP-HNNXBMFYSA-N 375.473 0.702 0 50 GCAA Nc1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C1)CC2 1704335281 MMNRYGOJYWOLCJ-KRWDZBQOSA-N 395.485 0.380 0 50 GCAA CSCC(=O)N[C@]1(C)CCOC2(CCN(Cc3nnc(C)o3)CC2)[C@H]1O 1772700229 AIWAZKJNRRJAFU-JKSUJKDBSA-N 384.502 0.732 0 50 GCAA O=C(Cc1ccsc1)N1C[C@@H]2CN(C(=O)c3ncccc3O)C[C@@]2(CO)C1 1772704880 UHWYUOOAGPGMQX-AUUYWEPGSA-N 387.461 0.984 0 50 GCAA Cc1cc(S(=O)(=O)NC[C@]2(CO)COC[C@@H](C)N2C)n(C2CCCC2)n1 1857532698 ISJZHTVKZWCZLN-PBHICJAKSA-N 386.518 0.667 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1O)c1ccc(-n2cnnn2)cc1 1857693563 BXBNHJVHIPEQEU-USXIJHARSA-N 384.440 0.544 0 50 GCAA Cc1[nH]c(=N)[nH]c(=N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)c1Cl 1857712378 XMMROFDCZKRTMB-QWRGUYRKSA-N 395.872 0.909 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cn4ccsc4n3)C[C@H]2CO1 1857715589 YURGRHBQUVWSTE-AGIUHOORSA-N 377.470 0.446 0 50 GCAA NCCc1nc(C(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)cs1 1875266748 DFBVXGBVRKKSFS-IUODEOHRSA-N 388.449 0.801 0 50 GCAA Cn1ccnc1[C@@H]1[C@@H](C(=O)Nc2nnc(CCO)s2)CCC(=O)N1C1CC1 2325824232 VJMLUKDBWUWJQG-FZMZJTMJSA-N 390.469 0.887 0 50 GCAA CC1(C)CN(C(=O)COc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893098 JTRIMKAGVAAVQC-AWEZNQCLSA-N 385.420 0.695 0 50 GCAA Cc1nn(CC(=O)Nc2cnn(C)c2C(=O)NCc2cnn(C)c2)cc1Cl 2803095 VJZLFKLKHAARQH-UHFFFAOYSA-N 390.835 0.881 0 50 GCAA COC(=O)CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 4764624 PFTDHRWIKFJESY-CQSZACIVSA-N 377.397 0.193 0 50 GCAA COc1ncc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)cn1 67948119 GRIDTVTYUVWWAC-JKSUJKDBSA-N 377.445 0.213 0 50 GCAA CN1CC2(CCN(S(=O)(=O)c3ccc(C(=O)O)n3C)CC2)C[C@H]1C(=O)O 72165102 NOEGFMJFSPGULC-LBPRGKRZSA-N 385.442 0.283 0 50 GCAA CCC[C@H](C)N1CC2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)OC1=O 72428329 DUOARSLQJPKPAI-ZDUSSCGKSA-N 378.429 0.539 0 50 GCAA Cc1cccn2c(CC(=O)NC[C@@H]3CCN(c4cnn(C)c(=O)c4)C3)cnc12 77386851 TZYNGNXEHRVNKV-HNNXBMFYSA-N 380.452 0.922 0 50 GCAA 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 114233871 XPFFFXIOYCKIEP-LEMCJJNFSA-N 396.392 0.233 0 50 GCAA biogenic O=C(C[C@H]1CCNC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 128562997 VVDHDQCGOHDBDV-CYBMUJFWSA-N 377.470 0.395 0 50 GCAA Cn1cc([C@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)[C@H]2C[C@@H](O)C2)cn1 240228114 KGFPOSBCOJAJNO-QIIPPGSGSA-N 377.466 0.995 0 50 GCAA Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](c3cc(N4CCOCC4)ncn3)C2)cn1 244734605 NISRAROBMFUOIT-BETUJISGSA-N 378.458 0.271 0 50 GCAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccon1 299763298 ZRAUTZDHKWWNIC-MRXNPFEDSA-N 376.457 0.754 0 50 GCAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2nc(-c3ncccn3)no2)C1 584888378 LFACTNJDTQHXER-LLVKDONJSA-N 380.430 0.493 0 50 GCAA CCCN1CCC2(CC1)CN(S(=O)(=O)[C@H]1CCS(=O)(=O)C1)CCO2 822920917 KYUZDKCXTYVZHG-AWEZNQCLSA-N 380.532 0.080 0 50 GCAA COCc1noc(CN2CCN(C(=O)N[C@@H]3[C@@H]4C[C@H]5[C@H](CO[C@H]53)C4)CC2)n1 868904976 ANLHEPZLYBHMLI-AVVLXZEZSA-N 377.445 0.467 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(C(=O)COc2cccc(Cl)c2)C[C@@H]1O 1565509054 BZMLCXDUXDLXDT-KBPBESRZSA-N 391.877 0.077 0 50 GCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)CN1CCOc3ccccc3C1)C2 1704308745 IRQFGWCUAXIMIA-RDJZCZTQSA-N 389.452 0.125 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc2ccccc2n(C)c1=O 1704341012 NWKNYHPLHGBNHB-ZFWWWQNUSA-N 393.465 0.175 0 50 GCAA CN(C)C[C@]12CN(C(=O)Cc3ccccn3)C[C@H]1CN(C(=O)c1ccnn1C)C2 1772702918 BFFZOOCBTXTQQP-HRAATJIYSA-N 396.495 0.520 0 50 GCAA CC(=O)NCC(=O)N1C[C@@H]2CN(Cc3cc(-c4cccnc4)no3)C[C@@]2(CO)C1 1772710364 QOBOYXQGEFGRRG-JXFKEZNVSA-N 399.451 0.125 0 50 GCAA Cn1ncc(C[C@@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C(=O)O)c1O 1875340534 GXVIOMRYHJONTF-YPMHNXCESA-N 390.421 0.741 0 50 GCAA C[C@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1cnc2ccccc2n1 1875400147 SCTILVHAJZZCOL-UONOGXRCSA-N 380.452 0.957 0 50 GCAA Cn1cnc(C(=O)N[C@H]2C[C@H](C(=O)NCc3ccc4c(c3)CCO4)C[C@@H]2O)c1 1940193401 RZZZFMCLVJBEGA-ZOBUZTSGSA-N 384.436 0.541 0 50 GCAA CN(C)C(=O)Cc1nnc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1 2100542655 CQQMYGGWWPAMEJ-UHFFFAOYSA-N 375.410 0.776 0 50 GCAA Cc1[nH]nc2ncc(C(=O)NCC[C@@H]3CCN(C(=O)CCc4nc[nH]n4)C3)cc12 2325786919 BITJVVPCKGHPKO-CYBMUJFWSA-N 396.455 0.986 0 50 GCAA CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CO[C@H](CNC(=O)Cc2cncnc2)C1 2332237666 GQZUNIXDKSYEMR-OKZBNKHCSA-N 389.500 0.339 0 50 GCAA O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@]12CCCN(CCO)C2=O 2356152245 FGGDESCLLJIFHW-IBGZPJMESA-N 394.493 0.826 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1N1CCOCC1 4842054 YKHFTVGMUASMLP-KBPBESRZSA-N 397.497 0.681 0 50 GCAA CCc1cc(CC)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C(C)C)n1 12518976 UMCOOYCICXFEHM-UHFFFAOYSA-N 387.444 0.273 0 50 GCAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccnc1 14542159 FJHSXACPZSQEFU-XIRDDKMYSA-N 380.404 0.228 0 50 GCAA CCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC[C@H]21 72475689 BEANDMOYXOARMY-DZGCQCFKSA-N 376.457 0.256 0 50 GCAA CN1C(=O)[C@@H](CC(=O)NCc2noc(-c3c(F)cccc3F)n2)N(C)C1=O 91650865 DGYBDPWLCNBISY-SNVBAGLBSA-N 379.323 0.914 0 50 GCAA Cc1cc([C@H]2CCCN2C(=O)CCCn2nnnc2CN2CCOCC2)no1 95516325 VCYYDUWYZXPLRH-MRXNPFEDSA-N 389.460 0.946 0 50 GCAA CN(C)c1nc(N2CCN(c3cnn(C)c(=O)c3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244882833 YAAPYSCCEGWDRK-OKILXGFUSA-N 384.488 0.168 0 50 GCAA COCCn1c(CN2CCC3(CC2)CC(=O)N(C)C3)nnc1[C@H]1C[C@@H](N)C1 244899855 ZRNAAHNDPLHMFF-GASCZTMLSA-N 376.505 0.574 0 50 GCAA Cn1nnc(-c2cccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2)n1 253412107 PXEQCRZQOFNBLW-HNNXBMFYSA-N 391.391 0.956 0 50 GCAA biogenic Cc1cc(C)c(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C)c1 276518828 SMLHNWHOQYQMGD-ZWKOTPCHSA-N 380.510 0.456 0 50 GCAA C[C@H]1CCN(CC[C@@H](C)N2CC[C@H](C)S(=O)(=O)CC2)CCS1(=O)=O 330274163 JRBTYORVPKDQLZ-PMPSAXMXSA-N 380.576 0.783 0 50 GCAA C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cnc2n1CCCC2 377138190 CFAIRBADZZPJLY-GOSISDBHSA-N 389.456 0.451 0 50 GCAA CCCS(=O)(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 822992415 BTUPLQNRIHJARO-OAHLLOKOSA-N 399.517 0.347 0 50 GCAA COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)CCC2 888101586 FTKUWCDNNFKBQM-MGPQQGTHSA-N 386.474 0.018 0 50 GCAA CC(=O)c1c(C)nn(CCC(=O)N2CCC3(CC2)CN(C)C(=O)CO3)c1C 1772819078 PHMRVKMMUXNEHB-UHFFFAOYSA-N 376.457 0.942 0 50 GCAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 1857700508 ITDHMQQPBVIDPE-INIZCTEOSA-N 384.484 0.790 0 50 GCAA O=C1CN(C(=O)[C@@H]2COCCN(C(=O)c3ccc4ncsc4c3)C2)CCN1 1857728972 HRERJSPUDYAMLV-ZDUSSCGKSA-N 388.449 0.343 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@@H](n2nncc2I)C1 1875340190 PSZOPXQPEPLORZ-MRVPVSSYSA-N 385.231 0.326 0 50 GCAA O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)N[C@]1(c2ncc[nH]2)CCOC1 1875391892 BDAFZFKODHPIFP-SJKOYZFVSA-N 377.422 0.767 0 50 GCAA CNC(=O)C12CC(CNC(=O)c3ccn4cc(C)nc4c3)(C1)OC21CCNCC1 1875393401 MRVZRIFBOJFBAF-UHFFFAOYSA-N 397.479 0.790 0 50 GCAA CS(=O)(=O)NCc1ccnc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 2100555963 AJADRYYNRZCTCF-CQSZACIVSA-N 394.497 0.538 0 50 GCAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCCO)c2)CC1 12112074 XITNUNPSZBFXGW-GOSISDBHSA-N 380.485 0.783 0 50 GCAA CNS(=O)(=O)CCNC(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91793246 SUPGECZJSHKRIE-CYBMUJFWSA-N 387.889 0.744 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)COCc1ccccc1)C2 95380697 XVECCNFVKRFRNF-DLBZAZTESA-N 381.498 0.932 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCNCC1 97813739 OGWONHZUJZQAAK-UHFFFAOYSA-N 377.470 0.297 0 50 GCAA O=C(Cn1cnnn1)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 151040845 SFBUMIVBNSZBKF-UHFFFAOYSA-N 384.375 0.187 0 50 GCAA O=C(CCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCOCC1 253431097 TZXUJUKEUQGDEK-UHFFFAOYSA-N 399.469 0.006 0 50 GCAA O=C([C@H]1C[C@@H](O)C1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857729803 HACMLLBTFJFOSC-MNVSYLFESA-N 388.468 0.596 0 50 GCAA O=C1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C(=O)N1 1857798117 PNQBCEOWYBBOMQ-XJKSGUPXSA-N 384.436 0.561 0 50 GCAA CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCOCC3)CC[C@H]2O)cc1 1875240144 JSUJLKBZIXHFFD-CGTJXYLNSA-N 375.469 0.871 0 50 GCAA COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[S@@](=O)CC1 1875302623 ZEOMASOTXKJGAM-PAUBXPFVSA-N 376.475 0.812 0 50 GCAA NC(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)c3cccc4scnc34)C2)n[nH]1 1875328288 JOPUNYFGJREVHW-SECBINFHSA-N 384.421 0.763 0 50 GCAA CNC(=O)c1cccc(CCNc2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)c1 1875398295 KRXAHOKUKPIYBS-QZTJIDSGSA-N 398.511 0.992 0 50 GCAA Cc1nsnc1C(=O)N[C@@H]1C[C@H](C(=O)N(C)CCc2cnn(C)c2)C[C@H]1O 2100555268 OIRKTGQPYRSWAN-BFHYXJOUSA-N 392.485 0.150 0 50 GCAA COCC1CN(C(=O)C[C@H]2CN(C(=O)Cc3cnnn3C)C3(CCC3)CO2)C1 2325785255 MKMULNVZSHGWPS-INIZCTEOSA-N 391.472 0.003 0 50 GCAA Cc1cccc(CN2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@H](C)C2=O)c1 55404237 XQVOCRPKMCRGHD-CQSZACIVSA-N 384.436 0.482 0 50 GCAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 71405783 CFBUDJXWGOBVOY-UHFFFAOYSA-N 375.454 0.697 0 50 GCAA CC(C)CC(=O)N1CCN(C(=O)c2ncccc2O)[C@H]2CS(=O)(=O)C[C@H]21 72419904 GXISFHULXQFRLH-OLZOCXBDSA-N 381.454 0.283 0 50 GCAA COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 72446684 MKTIIUQVFFNBHD-CQSZACIVSA-N 385.486 0.838 0 50 GCAA Cc1cnc2c(Cl)c(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)nn2c1 77392725 YJEKJFIXDVZGBQ-MNOVXSKESA-N 383.861 0.244 0 50 GCAA CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCN1 134434630 BHCGBWOZCDOHHI-GOSISDBHSA-N 391.497 0.928 0 50 GCAA O=C1c2ccccc2C(=O)N1CCS(=O)(=O)c1nnnn1-c1ccccc1 136691306 SWCBPKWSGGQGPW-UHFFFAOYSA-N 383.389 0.732 0 50 GCAA CS(=O)(=O)N1CCN(Cc2ccc(O)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 247527392 NMVGJBODFSOFLK-OLZOCXBDSA-N 394.902 0.288 0 50 GCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)O)C1 261892178 VNYWJXNTJVDAQX-GFCCVEGCSA-N 379.438 0.904 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2nc(C3CC3)no2)o1 426690239 GSXVXEZNPWSTLJ-HNNXBMFYSA-N 387.440 0.898 0 50 GCAA Cc1ccc(-c2noc(CCNC(=O)c3cc4n(n3)C[C@H](O)CNC4=O)n2)cc1 426738975 CWQKXARGZMURHE-CYBMUJFWSA-N 396.407 0.318 0 50 GCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 584895602 CVRKVMOWOKGCMV-IRXDYDNUSA-N 378.448 0.899 0 50 GCAA CN1CC(=O)N2CCN(C(=O)C3(N4CCCCC4)CCCCC3)C[C@@H]2C1=O 952865606 SPDFTBWIUJJDGK-MRXNPFEDSA-N 376.501 0.687 0 50 GCAA COc1ccc(CNC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1 1073414428 GUGGIZREZXTSSM-CVEARBPZSA-N 388.468 0.916 0 50 GCAA Cc1cnccc1N1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 1506428786 SYAIELQPZCYOEC-UHFFFAOYSA-N 382.486 0.944 0 50 GCAA CCCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)C3=NNC(=O)CC3)CC2)[C@H]1O 1772702779 UMQJCZCSLGKCGL-ZWKOTPCHSA-N 394.472 0.070 0 50 GCAA CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)nc(=N)[nH]1 1857679684 QILXCSGWSCFJCH-KGLIPLIRSA-N 398.467 0.792 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3cc(C(C)C)[nH]c(=N)n3)CC(=O)N21 1857728496 DIOCXNHRQKGBRY-HUBLWGQQSA-N 389.456 0.637 0 50 GCAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)Cn2ccccc2=O)cc1OC 1875240201 LYYWMNHYPORATE-PXNSSMCTSA-N 388.420 0.827 0 50 GCAA CC1(C)C(C)(C)C1(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1875346935 FAQIJQKZTPAQHF-SDBHATRESA-N 377.445 0.674 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)C2CC(n3cccn3)C2)ncn1 1875401929 WTFKYKSEAZFRSC-QDIHITRGSA-N 385.472 0.446 0 50 GCAA Cc1nc(C(=O)N2CCc3nnc(O)cc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403869 IBKLBKSHQXKMCE-OAHLLOKOSA-N 397.483 0.928 0 50 GCAA COc1ccccc1C(=O)NCCSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 6447468 QIHTYSZNINYNFL-UHFFFAOYSA-N 389.437 0.491 0 50 GCAA CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccc4nsnc4c3)C[C@@H]2C1 91624707 PFKSRBJEMZJMHI-CZUORRHYSA-N 382.511 0.910 0 50 GCAA COCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95511271 BYQOTKPHRZOYTA-UHFFFAOYSA-N 385.486 0.712 0 50 GCAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)N(C)[C@H]3COC[C@@H]3O)c2)CC1 216375884 PUJAESSKHADILX-IRXDYDNUSA-N 380.466 0.859 0 50 GCAA Cc1cccn2c(CC(=O)N3C[C@@H](CO)C[C@@H](CN4CCOCC4)C3)cnc12 247924651 OXFNXKPNZHHTCT-ROUUACIJSA-N 386.496 0.974 0 50 GCAA Cc1ccnc(OC2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c1 253393744 KUMLAKZKWCLYCU-UHFFFAOYSA-N 382.424 0.903 0 50 GCAA CN1CCC(N2CC[C@@H](N(C)C(=O)c3cn(CC4(C)COC4)nn3)C2)CC1 363971086 XRDSBHPNHGIWMI-MRXNPFEDSA-N 376.505 0.555 0 50 GCAA COc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 409415267 YPWIBQMXYILBBY-BXUZGUMPSA-N 395.437 0.204 0 50 GCAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)N2CCC(Cn3ccnc3)CC2)C1 584886480 HFRFJWWNOZGRCK-INIZCTEOSA-N 383.518 0.976 0 50 GCAA NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](O)c2cc3ccccc3s2)C1 830021268 HSEFUQHPRJPMHI-QWHCGFSZSA-N 383.495 0.966 0 50 GCAA O=C(CCn1ccc(O)nc1=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565506224 XPGVPHUIHIKXSX-KGLIPLIRSA-N 387.392 0.445 0 50 GCAA O=S1(=O)C[C@H]2NCCN(c3ccnc(NCc4cn5ccccc5n4)n3)[C@H]2C1 1565526461 URTCEOVWAXTFPP-CABCVRRESA-N 399.480 0.312 0 50 GCAA CC1(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(CC3CC3)CC2)COC1 1775960663 ZGICECPGUFQJFZ-IAGOWNOFSA-N 376.501 0.892 0 50 GCAA Cc1cccc(N=c2[nH]c(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)nc(=N)[nH]2)c1 1857669180 KPWIPEPUMLELMV-ORAYPTAESA-N 384.440 0.681 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N[C@@H]1CC[C@H](NC(=O)CO)C1 1857672121 KYVJUZDRHLGXNI-QWHCGFSZSA-N 394.453 0.189 0 50 GCAA CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCc1cccnc1)C2 1857703405 LDOIWXJCKPWEKM-HLNWXESRSA-N 386.496 0.698 0 50 GCAA COc1cccc(CN2CC[C@H](CO)[C@@H](O)C2)c1OCCN1CCOCC1 1857712619 RXSPIMPGRODGKF-MSOLQXFVSA-N 380.485 0.581 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)CCn3cnc4ccccc43)C[C@H]2CO1 1857716491 AOGCIRIPVIAUBZ-ULQDDVLXSA-N 399.495 0.863 0 50 GCAA Cc1nonc1C(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(S(=O)(=O)N(C)C)CCO1 1857728347 XUUBDJGDHDFULY-VIKVFOODSA-N 399.473 0.022 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)CC2)c1 1857728695 MPUOUJUDITVIPX-NQIIRXRSSA-N 384.480 0.677 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)CCn2c(C)cc(C)nc2=O)CC[C@H]1O 2100544839 LJWRDIHSPHKQBK-APWZRJJASA-N 381.473 0.249 0 50 GCAA C[C@H]1CN(C(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C[C@@H](C)O1 2325887748 SKKDYDGMXUVASX-BFQNTYOBSA-N 385.420 0.697 0 50 GCAA CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 34169738 PHFHSPQCDRKMQJ-XWXWGSFUSA-N 385.380 0.344 0 50 GCAA in-vitro Cc1nnnn1CCC(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67974891 URUNCMMPQCGRAW-UHFFFAOYSA-N 382.428 0.652 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C(=O)c3ccco3)CC2)C1 71776274 OBKLWVVSKWYVRE-OAHLLOKOSA-N 391.468 0.928 0 50 GCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)Cc1n[nH]c(=O)[nH]1)C2 72163541 XDARBVROVVVANM-UHFFFAOYSA-N 380.412 0.143 0 50 GCAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H](C)c2ncnn2C)CC1 95511925 HOCGKZSCONRHKE-AWEZNQCLSA-N 375.481 0.691 0 50 GCAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ccc(N)nc2)CC1 96149631 IDPQSJAJJAFJNR-UHFFFAOYSA-N 385.472 0.644 0 50 GCAA C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 185651934 ZTBMQHPEQSJJOD-ZDUSSCGKSA-N 392.481 0.942 0 50 GCAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCNS(C)(=O)=O 222725397 HXGWBIGCAKQXEV-KGLIPLIRSA-N 375.447 0.021 0 50 GCAA Cn1ccnc1CCNC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 252496801 PSBPIQMXCGTSSK-UHFFFAOYSA-N 376.482 0.623 0 50 GCAA COC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 262554445 XXANIMNTXXDVTR-SNVBAGLBSA-N 376.456 0.562 0 50 GCAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOC3(CCOCC3)C2)C1=O 269089986 KWBVDEKEIVADBC-LJQANCHMSA-N 387.436 0.862 0 50 GCAA Cc1cc2c(NC(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cccc2nn1 299777566 FGNHGZKTCWLLQC-GFCCVEGCSA-N 379.442 0.720 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 408521740 SFEWEKYKTAEFDM-UHFFFAOYSA-N 385.467 0.932 0 50 GCAA COc1ccc(CCNC(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)c(OC)c1 426484419 IATAAINYHNJQFY-IBGZPJMESA-N 377.441 0.889 0 50 GCAA C[C@H](CN1CCOCC1)N(C)c1ncnc2c1ncn2C[C@H](O)[C@@H]1CCCO1 888098015 XCEGGMRENSHBQY-PMPSAXMXSA-N 390.488 0.523 0 50 GCAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565507840 CHJUHWYKUVHVDY-OALUTQOASA-N 393.451 0.351 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@@H]12 1857697094 VECRXSQXFLIGHG-IMJJTQAJSA-N 375.454 0.067 0 50 GCAA CC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)[C@H]1CCc3cncn3C1)CCO2 2325784809 KZOKTEPCEGXOAI-HRPMKQFTSA-N 394.497 0.851 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1ccc(F)cc1O 2356145782 WLYOLSZTIJRNOR-SGIREYDYSA-N 395.431 0.827 0 50 GCAA Cn1ccc(=NC(=O)CN2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)[nH]1 2356168520 HHVMKLRWVXRJCS-HXUWFJFHSA-N 382.468 0.833 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)NCc3cccc(F)c3)CN2C1=O 14742873 AQWYBBRBLBDLTH-JYJNAYRXSA-N 391.447 0.222 0 50 GCAA CNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)s1 23507035 OKJJCVWJLYEQEQ-JTQLQIEISA-N 376.438 0.482 0 50 GCAA Cc1cccc(CN2CCC(N3CCC(C(=O)NC[C@@H](O)CO)CC3)CC2)n1 71419218 JWIZALBFNPEVTP-HXUWFJFHSA-N 390.528 0.536 0 50 GCAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(CCCn2cnnn2)C1 95501953 PKLJKFHWSHZJIS-QGZVFWFLSA-N 378.502 0.895 0 50 GCAA Cc1cccc2nc(Cn3ncc(N4CCCN(C)CC4)cc3=O)cc(=O)n12 95528222 NWWQSUCJEHNODE-UHFFFAOYSA-N 380.452 0.750 0 50 GCAA O=C1OCCN1c1cccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 96179604 JMJWDJBXEOQVDG-CQSZACIVSA-N 383.426 0.657 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2)CN1C(=O)CSC 96180259 VZRIOVDBPBQVEK-HIFRSBDPSA-N 379.482 0.650 0 50 GCAA CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](N)C2)c1 237426574 ILPVWWNBTMHOIK-MRVPVSSYSA-N 383.289 0.574 0 50 GCAA CCCc1nnc(NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)s1 244633399 GCGCUGDEUZDNBG-UHFFFAOYSA-N 377.474 0.345 0 50 GCAA C[C@H]1OCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H]1C(N)=O 284834133 WAWNEMUPKNWJHM-KBUNVGBDSA-N 399.213 0.991 0 50 GCAA CCn1ccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)cc1=O 299757994 JIUYLDBTYHIKGY-HZPDHXFCSA-N 376.482 0.998 0 50 GCAA Cc1cc(=NC(=O)C[C@@H]2NC(=O)c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159158 IXFWGCOYNVXCTQ-DOMZBBRYSA-N 388.449 0.786 0 50 GCAA O=C([C@@H]1CN(Cc2cnsn2)C[C@H]1C(F)(F)F)N1CCS(=O)CC1 888103421 ZQWQKBMIRUHPKW-GHMZBOCLSA-N 382.433 0.739 0 50 GCAA COCCNCCNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952894788 QSQMVWPQOQGYCZ-UHFFFAOYSA-N 392.504 0.438 0 50 GCAA COc1cc(CCC(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)ccc1C 1529105698 GUENJFDEYGYANB-JKSUJKDBSA-N 384.498 0.647 0 50 GCAA CC(C)CC(=O)N1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCC1 1704322487 IKMCRGKNISANGC-CRAIPNDOSA-N 396.532 0.807 0 50 GCAA CCCC(=O)NCC(=O)N[C@H]1CCCCCN(C(=O)c2ccc(C(N)=O)o2)C1 1775992986 XWULJVASNLRHBB-ZDUSSCGKSA-N 392.456 0.796 0 50 GCAA C[C@@H](O)C(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCCCO)sc12 1857688625 UCEVBDJECSSWNL-GFCCVEGCSA-N 382.482 0.632 0 50 GCAA CNC(=O)c1cn2c(n1)CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CC2 1875244019 IPKYYPYNACLHST-UHFFFAOYSA-N 380.412 0.132 0 50 GCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc2nnc(-c3cccn3C)n2c1 1940195162 GWYFQXZGMBXIFR-CQSZACIVSA-N 396.407 0.239 0 50 GCAA O=C([C@H]1CCCCn2nnnc21)N1CCc2nc(-c3cccnc3)nn2CC1 2356167065 HGXAWFPNOVAPOV-AWEZNQCLSA-N 379.428 0.679 0 50 GCAA CN1C(=O)[C@H](CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c2ccccc21 23380239 IDEHMAJNMHCEPN-MRXNPFEDSA-N 381.436 0.579 0 50 GCAA COC(=O)[C@]1(C)N[C@H](c2cccc(Cn3cccn3)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65536221 HMYYUPLDIIRPAZ-AXHMDWHKSA-N 382.420 0.738 0 50 GCAA COc1ccccc1-n1nc(Cc2ccccc2)n(CC(=O)N2CC(O)C2)c1=O 77407829 YXFPUPASQXRNED-UHFFFAOYSA-N 394.431 0.837 0 50 GCAA CNc1nc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77504709 HRFDUSVSHALACF-QWHCGFSZSA-N 380.499 0.463 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)CN3Cc4ccccc4C3)C[C@@H]2CO)CC1 91391357 BXYHRULSZRLNGP-NHCUHLMSSA-N 386.540 0.707 0 50 GCAA O=C(NCCc1n[nH]c(=O)[nH]1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 91594130 XNFVALICRZDXHM-ZDUSSCGKSA-N 391.859 0.891 0 50 GCAA C[C@@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)NCCn2cccn2)c1 95372578 MOPHTEACGMHLKO-CQSZACIVSA-N 377.470 0.296 0 50 GCAA O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 95379383 DMSAAQSYJCWBLG-ZDUSSCGKSA-N 380.426 0.033 0 50 GCAA CSc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)cn1 95383740 JYHJEDXSQFWUCH-WCQYABFASA-N 385.515 0.541 0 50 GCAA CN[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 151021357 DFPPEGABEACZEV-VIFPVBQESA-N 376.276 0.921 0 50 GCAA COCCOCCOCCS(=O)(=O)Nc1cccc(-c2nncn2C)c1 242038560 VMDUYNXOPNRCHM-UHFFFAOYSA-N 384.458 0.903 0 50 GCAA CN(Cc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)o1)S(C)(=O)=O 299799826 TZADGQCMUXRMIX-HOTGVXAUSA-N 381.458 0.608 0 50 GCAA CN1C(=O)c2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)cc2C1=O 333400305 INMGSHRSGPOTOG-AWEZNQCLSA-N 398.462 0.110 0 50 GCAA CN1CCN(C[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)nn3)CCO2)CC1 930892240 HYJKIDYPHNIZBB-LBPRGKRZSA-N 388.394 0.976 0 50 GCAA CCCn1cc(C(=O)N2CCC[C@@](O)(CN3CCS(=O)(=O)CC3)C2)c(C)n1 1857728175 QNTPCVDHJYGTRE-GOSISDBHSA-N 398.529 0.299 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc(C(C)C)nc(N(C)C)n1)C2 1875288920 LIAIJAWJQWZYLK-GFCCVEGCSA-N 381.502 0.406 0 50 GCAA CCn1cc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCc3cccnc3)C2)cn1 2100480208 AGDJXPRQAYNJKI-RCCFBDPRSA-N 385.468 0.803 0 50 GCAA CCc1nc(O)ccc1C(=O)N1CCCN(S(=O)(=O)N2CCOCC2)CC1 2356134629 VJMVBOWEZZSDRU-UHFFFAOYSA-N 398.485 0.075 0 50 GCAA COc1ccc(CCNC(=S)N2CCN(S(C)(=O)=O)CC2)cc1OC 1119893 ADRQBOVKTHALNY-UHFFFAOYSA-N 387.527 0.698 0 50 GCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)C1 6554733 LVVKJVPIVOLVJJ-ISVAXAHUSA-N 389.371 0.855 0 50 GCAA Cc1cc(F)ccc1CN1CCN(CC(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77393261 IERUWGBODFQJLD-DLBZAZTESA-N 383.489 0.506 0 50 GCAA NC(=O)CNC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77407490 ADKQAZLBJIKVLM-UHFFFAOYSA-N 375.772 0.549 0 50 GCAA CCc1nnsc1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 91505558 XFSSWKSCJJAMPR-UHFFFAOYSA-N 384.487 0.392 0 50 GCAA O=C1CNC[C@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)N1 91893179 XSPKPXDMCOSVIM-QGZVFWFLSA-N 384.480 0.506 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)CCN2CCO 95360199 PVVLBFCKSWLRJW-CABCVRRESA-N 378.454 0.012 0 50 GCAA COCCCN1CC2(CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)CC1=O 95363428 MXNMKHDRDFJKCN-HNNXBMFYSA-N 377.485 0.875 0 50 GCAA CC(C)c1cc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)nc2ncnn12 95379620 LMCATVMBAHAYAA-IBGZPJMESA-N 385.472 0.674 0 50 GCAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nnn[nH]3)cc2)CC1 95501421 FUQLDZTZJIJPCO-LBPRGKRZSA-N 388.428 0.707 0 50 GCAA Cn1ncnc1CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 216548027 NRZJTBNZMFCCCH-AWEZNQCLSA-N 393.469 0.245 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1=O 328615147 XUQHXYQZOJVWIF-TZMCWYRMSA-N 394.457 0.052 0 50 GCAA O=C1CC[C@@H](N2CCN(C(=O)[C@H]3CSCN3C(=O)C3CCC3)CC2)CCN1 333580961 ZTBBOHXNWHMVPS-HZPDHXFCSA-N 394.541 0.501 0 50 GCAA COc1ccc(CN2CCN(c3cncc(C(N)=O)n3)CC2)c(OC)c1OC 426576931 GHFBHSJDLUKBPO-UHFFFAOYSA-N 387.440 0.924 0 50 GCAA CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 736131522 OEQNKWGKICAESM-CYBMUJFWSA-N 399.513 0.558 0 50 GCAA CN(C)C(=O)NCC(=O)N1CCC(CNC(=O)CCN2CCCCC2=O)CC1 952965550 QEDNFEDOKUXNPO-UHFFFAOYSA-N 395.504 0.015 0 50 GCAA O=C(N[C@]12CCC[C@@H]1N(C(=O)[C@@H]1CCn3cncc3C1)CC2)[C@@H]1[C@H]2COC[C@H]21 1775991707 MHZUAJXDFLRIEW-QJGXEKNMSA-N 384.480 0.978 0 50 GCAA COCc1nnc(N2C[C@H](C(=O)NCCc3nc(C)cc(C)n3)CC2=O)s1 1857700029 JQFMNGWNTHLSPS-GFCCVEGCSA-N 390.469 0.803 0 50 GCAA Cn1cnc(C(=O)NCc2cc(CNS(=O)(=O)C3CCOCC3)ccn2)c1 2356137109 FWDNRGGXKRKLPA-UHFFFAOYSA-N 393.469 0.344 0 50 GCAA O=C(CN1CCC[C@@]12CCCN(CCO)C2=O)NCCc1ccc(F)cc1 2356164115 GAFHYWKOTUKSRL-HXUWFJFHSA-N 377.460 0.934 0 50 GCAA CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(O)N(C)C2=O)cc1 2867252 RAARLOIRHXNVNP-GFCCVEGCSA-N 394.331 0.568 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C 12437447 YHPIZFWOPLGYCZ-INIZCTEOSA-N 391.468 0.634 0 50 GCAA Cn1cc(C(=O)O)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)n1 20614926 TTXCACTVXSUISW-UHFFFAOYSA-N 384.439 0.327 0 50 GCAA CN(CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 42385934 VSIKLQWIBQRTQU-QGZVFWFLSA-N 376.482 0.650 0 50 GCAA CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)cc1F 65363889 AQQAQDFIODGRQQ-UHFFFAOYSA-N 377.413 0.179 0 50 GCAA O=C(C[C@H]1COCCN1S(=O)(=O)Cc1ccccc1)NCCn1cccn1 72426050 PNTFLRJIOSCFIQ-KRWDZBQOSA-N 392.481 0.620 0 50 GCAA O=C1CN(CC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)CCN1 95516348 GNUSILZYSYQIOB-QGZVFWFLSA-N 382.468 0.464 0 50 GCAA Cn1c(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)cc(=O)n(C)c1=O 95523621 YYXYTEXXAGFIMG-UHFFFAOYSA-N 380.408 0.041 0 50 GCAA CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)Cc3ccccc3)C[C@@]2(C(=O)O)C1 96132059 KJCSVPAHTQMLSW-RDJZCZTQSA-N 381.454 0.228 0 50 GCAA Cn1cccc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1=O 97660468 OCBQRCYAYRFFNO-COFLGROHSA-N 378.476 0.683 0 50 GCAA CC(=O)N1CC(Nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)=CC1=O 218497325 PWIMZDGFXYQHFV-AWEZNQCLSA-N 377.422 0.288 0 50 GCAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)NS(C)(=O)=O)C3)cn1 252486834 HPEXXETZWQGNSO-JTQLQIEISA-N 379.442 0.303 0 50 GCAA COc1cccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)c1 252570989 XMYDQIPAALKJKW-WLLVXSAASA-N 379.478 0.529 0 50 GCAA O=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCOC3)CC2)c1 262207896 TUKOVLOWOMZCPY-NSHDSACASA-N 388.467 0.706 0 50 GCAA CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ncccn1 852623223 JXDBOFFFMOPVIU-UHFFFAOYSA-N 378.458 0.402 0 50 GCAA O=C(CN1CCCN(C(=O)CCn2cnnc2)CC1)NCc1cccs1 1529158398 BPBVPXYVNMYRAO-UHFFFAOYSA-N 376.486 0.580 0 50 GCAA Cc1cc(C)n([C@@H](C)C(=O)N2CCCN(C(=O)CCCS(N)(=O)=O)CC2)n1 1529167982 UTWXGBJHCLBJDP-HNNXBMFYSA-N 399.517 0.191 0 50 GCAA O=C1CO[C@H](C(=O)N2CCCN(c3ncccn3)CC2)[C@@H](c2ccccc2)N1 1529172429 HLGMHXOESDGHAZ-MSOLQXFVSA-N 381.436 0.772 0 50 GCAA CCOCC(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)CC1 1800412019 UKHBZVJNRACHQE-HNNXBMFYSA-N 382.457 0.601 0 50 GCAA Cc1nc([C@H]2CCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)oc1C(=O)N1CCOCC1 1875269768 IQNYZLYNAZZXIE-SOUVJXGZSA-N 377.441 0.932 0 50 GCAA O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 20661100 XOCPNPZROASBCW-OAHLLOKOSA-N 399.488 0.675 0 50 GCAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCOCC3)cc2)C1 59765777 CREGVHQGDUVZBG-CQSZACIVSA-N 395.481 0.905 0 50 GCAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N(CCO)CCO 71751393 GIEAWIIENQBMFV-LJQANCHMSA-N 390.528 0.571 0 50 GCAA CN1C(=O)[C@@](CC(=O)NC(CO)(CO)CO)(Cc2ccccc2)c2ccccc21 71752057 CESAPPHNDRLZBW-JOCHJYFZSA-N 398.459 0.366 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)CCc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 72432345 RXAVLQXPKOIXQI-JKSUJKDBSA-N 379.482 0.507 0 50 GCAA CCCN1CCN(C(=O)CSc2nc(CC)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 77388560 KNGYELIUVQHXNY-NEPJUHHUSA-N 387.531 0.179 0 50 GCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95521197 LHMPFWQCRQFSTQ-QXAKKESOSA-N 398.438 0.834 0 50 GCAA C[C@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1nnn[nH]1 95531820 VDHMHHVFXZVRJG-NSHDSACASA-N 394.457 0.494 0 50 GCAA CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCc3nc[nH]c(=O)c3C2)cc1 170685862 FDHPGWBHVBVURN-UHFFFAOYSA-N 390.465 0.999 0 50 GCAA Cn1c(=O)c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)nc2n(C)c1=O 172418149 ZUKKSLUAPNIIRD-UHFFFAOYSA-N 385.468 0.723 0 50 GCAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(CC(=O)NCCc1ccccc1)C2 222661451 OOWHWSQWVMZZPX-HXUWFJFHSA-N 394.479 0.873 0 50 GCAA COC(=O)c1cc(Br)c(S(=O)(=O)N2CCNC(=O)[C@@H]2C)s1 225419127 RNYOPBLVLQNZDT-LURJTMIESA-N 397.272 0.806 0 50 GCAA C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)O 262722655 WQZQYGKYVCGBNE-QMMMGPOBSA-N 384.332 0.843 0 50 GCAA O=C(CN1CCN(C(=O)[C@H]2CCc3[nH]ncc3C2)CC1)Nc1nncs1 270261471 WACWKHDWOLIVGX-NSHDSACASA-N 375.458 0.149 0 50 GCAA Cn1c(=O)c2c(ncn2C[C@@H]2CN(Cc3ccccc3)CCCO2)n(C)c1=O 278670077 XSMCCIUUVFDUIS-INIZCTEOSA-N 383.452 0.725 0 50 GCAA Cc1nnnn1Cc1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299783190 UNFVRVCWDRJAAZ-IRXDYDNUSA-N 380.412 0.607 0 50 GCAA O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)C[C@H](O)CNC2=O 426494510 PUXPRFDVMIXNHG-SNVBAGLBSA-N 384.314 0.816 0 50 GCAA CCCN1CCC2(CC1)CN(S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)CCO2 822920918 KYUZDKCXTYVZHG-CQSZACIVSA-N 380.532 0.080 0 50 GCAA Cc1ccncc1C(=O)NCC1CCN(C(=O)c2c[nH]nc2-n2cnnn2)CC1 828138433 WFANKEOZVAFHSI-UHFFFAOYSA-N 395.427 0.371 0 50 GCAA CCc1noc(CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1 952962414 DFCDXMDRWWJWBQ-UHFFFAOYSA-N 393.425 0.003 0 50 GCAA COc1cc(CN2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)ccc1F 1616102631 URRRQTGAUVEXOH-KGLIPLIRSA-N 392.474 0.077 0 50 GCAA NC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(O)cc(C(F)(F)F)c1)C2 1857533054 XGSYYLFQOUPMNF-NSHDSACASA-N 392.355 0.526 0 50 GCAA O=S1(=O)CC[C@@H](CCS(=O)(=O)N2CCC(Cn3cccn3)CC2)C1 1857686628 AEUYYAAOPLTGCB-HNNXBMFYSA-N 375.516 0.750 0 50 GCAA CS(=O)(=O)NC(=O)[C@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CCO1 2325899597 NESBXOSECIYAHI-GFCCVEGCSA-N 393.400 0.531 0 50 GCAA CCOC(=O)CS(=O)(=O)C(c1ccccc1)S(=O)(=O)CC(=O)OCC 3138414 XHSPUXQFPIWNRS-UHFFFAOYSA-N 392.451 0.641 0 50 GCAA COc1ccc(CCN2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1OC 18173547 IVVKOPQUIRHWIM-HNNXBMFYSA-N 389.452 0.571 0 50 GCAA Cn1ncc(N2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1=O 19762218 UPYGOCSXHSERHT-UHFFFAOYSA-N 383.452 0.579 0 50 GCAA CNC(=O)c1noc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)n1 92081170 QLKPVAFHHACRIA-CYBMUJFWSA-N 377.445 0.864 0 50 GCAA 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396.455 0.742 0 50 GCAA Cc1ccc([C@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95375373 WMDPKWAJAZOFEM-NSISKUIASA-N 382.464 0.935 0 50 GCAA CCn1nccc1C(=O)N1CCN(C)[C@@]2(CCC(=O)N(CCOC)CC2)C1 95383626 QUQGRVVTTMBBOO-LJQANCHMSA-N 377.489 0.688 0 50 GCAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCN1CCOCC1)C2 219621695 JSNNZFILLYLVFK-GOSISDBHSA-N 379.505 0.323 0 50 GCAA CCN1CCN(CC(=O)N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)CC1 244734493 NGOKPPYTPNSTRM-IYBDPMFKSA-N 386.504 0.060 0 50 GCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cn1c(=O)oc3ccccc31)C2 247538633 RKBJNIMGIHVVQC-OLZOCXBDSA-N 379.438 0.477 0 50 GCAA C[C@H]1CN(c2nc(N3CC(=O)N(C)[C@H](C)C3)nc3c2SCC3)CC(=O)N1C 286519111 RLRGRKSPAVIJBC-NWDGAFQWSA-N 390.513 0.459 0 50 GCAA O=C(CN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)NCc1ccccc1F 299776691 CSDHFVCKSVENOF-WQDJSCAQSA-N 378.444 0.930 0 50 GCAA O=C(CCn1c(CO)nc2ccccc21)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299777066 NRYGSGXETDMAHM-IRXDYDNUSA-N 382.424 0.883 0 50 GCAA 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DBDSKXYHVQIRIT-GFCCVEGCSA-N 377.474 0.356 0 50 GCAA Cc1c(F)ccc(OCC(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)c1Cl 77355097 CDPZOBNOOHLKAV-NWDGAFQWSA-N 376.837 0.764 0 50 GCAA COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N3CC(O)C3)c2=O)cc1 77438662 BXUQTBCMMGQPOO-UHFFFAOYSA-N 380.404 0.913 0 50 GCAA CC(C)CN1CCN(C(=O)c2cnc3ccccn23)[C@H]2CS(=O)(=O)C[C@H]21 77505066 NQKHGJAWODQHDC-CVEARBPZSA-N 376.482 0.914 0 50 GCAA CN1C(=O)C2(CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)c2ccccc21 95512430 BROIOBIFTSYRRQ-UHFFFAOYSA-N 382.420 0.234 0 50 GCAA CC(C)N1CCC(NC(=O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 114455426 ONXMPSVZBXPCDF-QGZVFWFLSA-N 388.578 0.769 0 50 GCAA Cc1ocnc1C(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 213126940 DQBJWHOJMHEZEL-UONOGXRCSA-N 390.421 0.142 0 50 GCAA O=C(CN1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1)Nc1nncs1 275981720 OFILYYUBKUDPHC-CYBMUJFWSA-N 391.501 0.912 0 50 GCAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cn2ccc(C(F)(F)F)n2)cn1 282430845 RQXVIJORWVDOGJ-JPQMIFPKSA-N 375.376 0.968 0 50 GCAA C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@](O)(C(N)=O)C1 286135540 KHYIPZCRPCEHCA-IIBYNOLFSA-N 388.512 0.468 0 50 GCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1CN1CCC[C@H]1CO 368468232 ZRVLNYNZCAVYJV-IPMKNSEASA-N 375.469 0.241 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1506397682 XNTNKGXVQFRGDL-AWEZNQCLSA-N 391.515 0.069 0 50 GCAA O=C(c1cccnc1O)N1C[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@]2(CO)C1 1772808798 BNXICQITIPLRMA-HXPMCKFVSA-N 380.408 0.629 0 50 GCAA Cc1nc(N2CCNC(=O)C2)c2c(n1)C1(CC2)CCN(C(=O)[C@H]2CCOC2)CC1 1857683722 WDQUEDOSASGBHO-HNNXBMFYSA-N 399.495 0.564 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N(C)CCCn2cccn2)C[C@H]1NC(=O)CO 1857707340 OQHGZYZOOHBUGK-GVDBMIGSSA-N 380.489 0.804 0 50 GCAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCCn3ccnn3)[C@@H]2c2ccccc2)C1 1857718751 RKPHBHRYBQLLFO-LNLFQRSKSA-N 396.451 0.215 0 50 GCAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2cc3n(n2)CCN(C)C3=O)CC1 1857734713 NVLBDTYYKBIWBR-UHFFFAOYSA-N 396.451 0.893 0 50 GCAA O=C(N1CCOCC1)N1CCC[C@@H](n2nncc2I)C1 1875340012 IEVPKMVLENKPBD-SNVBAGLBSA-N 391.213 0.972 0 50 GCAA O=c1cc(CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)nc2nc[nH]n12 1940193708 NDCRVAGAVJIRCP-LPHOPBHVSA-N 387.415 0.345 0 50 GCAA CC(C)NC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)CCn2cnc3ccccc3c2=O)C1 2100558529 YMJFCLBMKACNME-JQFCIGGWSA-N 386.452 0.567 0 50 GCAA N[C@@H]1CCC[C@H](CNC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325895918 MQIASCIWGZSJHK-OGHNNQOOSA-N 398.463 0.695 0 50 GCAA Cc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 65362471 YOTPNJMMPSLEJE-UHFFFAOYSA-N 381.498 0.840 0 50 GCAA O=C1CNCCN1CC(=O)N1CCO[C@H](c2ccccc2Br)C1 236587844 IHDYSRGUQOXCNK-AWEZNQCLSA-N 382.258 0.781 0 50 GCAA COc1ccccc1CCNC(=O)CN1CCCN([C@H]2COC[C@@H]2O)CC1 244673944 HYNNNNOEYSLVOS-ROUUACIJSA-N 377.485 0.121 0 50 GCAA CCc1ccsc1C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1 328629226 HZTFPFIZBDBWDU-AWEZNQCLSA-N 376.482 0.712 0 50 GCAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 378047193 NTOLGOPYCBQDKG-IIDMSEBBSA-N 375.425 0.367 0 50 GCAA CC(C)n1cc(C(=O)N2CCCN(C(=O)CCCS(N)(=O)=O)CC2)cn1 1529151142 FWRZWIQDLYCVJI-UHFFFAOYSA-N 385.490 0.207 0 50 GCAA Cc1c(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cnn1-c1ccccn1 1704305543 KUTDQOZVLLPOGV-GJZGRUSLSA-N 385.424 0.433 0 50 GCAA Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CC(C)(C)N2CCOCC2)nn1C 1857684934 KQBRWRYYWQXZNK-IRXDYDNUSA-N 389.500 0.655 0 50 GCAA CCN1CCC[C@H]1CN1CCC(OC)(C(=O)NCCOc2nonc2C)CC1 1857701623 XDYOSKUKYQCIRZ-INIZCTEOSA-N 395.504 0.838 0 50 GCAA Cc1nccnc1C(=O)N1CC[C@@]2(NC(=O)CC3(O)CCOCC3)CCC[C@H]12 2325879540 YPGIJKUJZRIPDK-YWZLYKJASA-N 388.468 0.970 0 50 GCAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CCc2nc(-c3ccccc3)nn2CC1 2356136873 NBWOGVQTOQPQCE-UHFFFAOYSA-N 376.384 0.342 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NCCOc2nonc2C)CC[C@H]1NC1CCOCC1 2356137058 PWVHSJWCGPXBIA-NUEKZKHPSA-N 382.461 0.825 0 50 GCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)CNS(=O)(=O)c4cccs4)C[C@@H]13)O2 2356168568 JDSPMIBZNVPFFT-FHIRATQRSA-N 399.538 0.594 0 50 GCAA OCC(CO)NCc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 12441224 VYMSEAWBMIASOW-NRFANRHFSA-N 386.492 0.927 0 50 GCAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CN2CCOC2=O)CC1 12705686 SEMVEDCBADROQX-QGZVFWFLSA-N 383.489 0.805 0 50 GCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CCn1nnnc1CN1CCOCC1 19837173 XELOGHUNVOOYGJ-MRXNPFEDSA-N 386.456 0.358 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)Cn3cccn3)CC2)C1 71759249 SQAHIPDUZBGBJX-MRXNPFEDSA-N 377.489 0.349 0 50 GCAA CN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccon2)c1 216175509 JBIBMEDBKMUDIJ-UHFFFAOYSA-N 380.426 0.313 0 50 GCAA COc1ccc(CNC(=O)CNC(=O)CCCCCCS(N)(=O)=O)cc1 293587811 BIVIZFNXPNNOSX-UHFFFAOYSA-N 385.486 0.667 0 50 GCAA CN(C)c1cccc(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c1 299792152 FBHAMTZBUMLTLN-UHFFFAOYSA-N 377.470 0.654 0 50 GCAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 328627102 MIUDPVDINAJMJE-ZDUSSCGKSA-N 389.481 0.957 0 50 GCAA Cc1ccccc1C(=O)NCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 363414635 PSBPAYVDQXOWKS-UHFFFAOYSA-N 386.496 0.882 0 50 GCAA CNCCN1C(=O)CC[C@@H]2CN(CCS(=O)(=O)c3ccccc3)CC[C@@H]21 1565529216 MVEWYHRHWCPZSK-AEFFLSMTSA-N 379.526 0.993 0 50 GCAA Cc1cnn(CCCN2C[C@@H]3CN(C(=O)c4cnc(C)cn4)C[C@@]3(CO)C2)c1 1772705853 BEHOKSUSDCGYPO-YLJYHZDGSA-N 384.484 0.747 0 50 GCAA CCc1cc(C(=O)NC[C@@]2(C)CN(c3ncnc4c3cnn4C)CCO2)n(C)n1 1775990699 DPTZTBWXNZTOSJ-IBGZPJMESA-N 398.471 0.685 0 50 GCAA O=C1CN(C(=O)[C@H]2[C@@H]3CC[C@H]2CN3C(=O)Cc2n[nH]c3ccccc23)CCN1 1857666351 UTGYYNYJPYAPIC-XGINMYPSSA-N 381.436 0.301 0 50 GCAA CN1CC[C@]2(C(=O)NCCCn3ccnn3)CCCN(Cc3cncnc3)[C@H]2C1 1857674143 SZJJZMWTDUBHQG-AZUAARDMSA-N 398.515 0.561 0 50 GCAA CC(=O)N1CCC2(CCc3c(N4C[C@@H](O)[C@H](F)C4)nc(N(C)C)nc32)CC1 1857683345 VYPVGLQLNPDCLQ-HUUCEWRRSA-N 377.464 0.888 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857732713 CBNBGTYESRUACY-DYVFJYSZSA-N 390.407 0.609 0 50 GCAA COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)c1nc3ccccn3c1C)CC2 1857737231 CEMUNPURYZNQEY-UHFFFAOYSA-N 396.403 0.995 0 50 GCAA CC(C)[C@H](O)C(=O)N[C@H]1CN(C(=O)c2cncc(O)c2)C2(CCOCC2)C1 1875331291 CMRPSZAESCLZQV-ZBFHGGJFSA-N 377.441 0.684 0 50 GCAA Cn1cccc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2cnc3cnccn23)C[C@H]1O 2100542805 GIJOWZCBXOJTDI-JGGQBBKZSA-N 382.424 0.254 0 50 GCAA NCCN1CCN(S(=O)(=O)c2cc(F)c(Br)c(F)c2)CC1 2325791947 LRWCUNBZSDEMMZ-UHFFFAOYSA-N 384.246 0.992 0 50 GCAA Cc1c(C(=O)N(C)C2CN(C(=O)[C@@H]3COCC(C)(C)O3)C2)nnn1C(C)C 2325828339 FAGZRLTUWIQQIA-AWEZNQCLSA-N 379.461 0.644 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)NCCCn1ncc2ccccc21 20600375 HDAPEHMQJRRBPI-UHFFFAOYSA-N 384.444 0.062 0 50 GCAA O=C(NC1CCC1)[C@@H]1CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)CCO1 72409354 RSRZSSDXJSTQSR-HNNXBMFYSA-N 388.403 0.375 0 50 GCAA COc1cc(N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)nc(N)n1 72411992 WGVPATBMVXHCPU-GFCCVEGCSA-N 375.429 0.750 0 50 GCAA COc1ccc(C(=O)N2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 77452244 GBRAWZOEXNLIBK-KGLIPLIRSA-N 382.438 0.012 0 50 GCAA O=C(Cn1c(=O)oc2ccccc21)N1CCOC[C@](O)(CN2CCCC2)C1 77470484 ACWKLAJJLRJACE-IBGZPJMESA-N 375.425 0.280 0 50 GCAA O=C1CN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)CCN1 95371615 WZCNRPAJUJEDMT-IOMROCGXSA-N 386.471 0.646 0 50 GCAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)[C@@H](C)O)CC1 95524214 ARPZKPGDNUMYTR-CYBMUJFWSA-N 380.441 0.822 0 50 GCAA CC(=O)N1CC(Nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)=CC1=O 218497264 PWIMZDGFXYQHFV-CQSZACIVSA-N 377.422 0.288 0 50 GCAA O=C(NCCc1noc(C2CCCC2)n1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 584903106 AFPSJDUBNXOPNM-QWHCGFSZSA-N 383.474 0.050 0 50 GCAA Cc1cnccc1N1CCCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)CC1 952963402 JXFRDIRLECEIQF-UGNRZPKXSA-N 382.464 0.841 0 50 GCAA Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)CCCS(N)(=O)=O)C2)c(C)o1 952989530 SJNKYLMBGAMUNV-CQSZACIVSA-N 385.486 0.934 0 50 GCAA Cn1nccc1CCC(=O)N1C[C@H]2CN(C(=O)Cc3cccnc3)C[C@]2(CO)C1 1772819666 YTNCYLFILQQGAX-UWJYYQICSA-N 397.479 0.270 0 50 GCAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)n1 1857693404 VXGLJEHMWWUYHI-INIZCTEOSA-N 397.476 0.972 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)NCCn3cnc(C)c3C)CC2=O)s1 1857726152 GWDDBXIIGJUEIA-LBPRGKRZSA-N 378.458 0.667 0 50 GCAA O=C([C@@H]1CCNC12CCS(=O)(=O)CC2)N1CC[C@H](OCc2cccnc2)C1 1875405206 ADEWWMCRNRILMP-IRXDYDNUSA-N 393.509 0.756 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)N2CCc3n[nH]cc3C2)C[C@@H]1O)C1Cc2ccccc2C1 1940194660 CLFYBOZLWDXZOM-VDGAXYAQSA-N 394.475 0.965 0 50 GCAA O=C(NCc1cc(O)ncn1)[C@H]1CC[C@H]2OCCN(C(=O)c3cccnc3)[C@@H]2C1 1940195214 PCGZEYXLSQQPIS-IAOVAPTHSA-N 397.435 0.903 0 50 GCAA Cc1cc(N2CC[C@@H](N3CCn4nc(Br)nc4C3)C2=O)n(C)n1 2325772025 MZUHGSWYRFMPNN-SNVBAGLBSA-N 380.250 0.704 0 50 GCAA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@H]2CCS(=O)(=O)C2)C3)cc1 4751850 QNHQBDSQKRSOIN-LRDDRELGSA-N 391.449 0.675 0 50 GCAA O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@H]2C(=O)N[C@@H](CO)C(=O)N2C1 14538737 GULZBSHKOLMTPL-SRVKXCTJSA-N 386.330 0.287 0 50 GCAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1Cl 20046243 ULZZKPPZSLTKTI-UHFFFAOYSA-N 375.878 0.743 0 50 GCAA COc1ccccc1[C@H]1CNC(=O)c2nc(CS(=O)(=O)N(C)C)[nH]c2C1 65370931 DBJNIQXTDAGDNJ-LLVKDONJSA-N 378.454 0.879 0 50 GCAA CSc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)N2CCNC(=O)C2)cc1 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391.516 0.406 0 50 GCAA Cc1nnnn1-c1ccc(CC(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1 1857732480 RZBLRBMJCGYCLP-APWZRJJASA-N 382.424 0.463 0 50 GCAA CCn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1S(=O)(=O)N1CCN(C)CC1 1875397694 KNCSIMXIAJGACS-KGLIPLIRSA-N 384.506 0.269 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2cncn2)CC[C@H]1NC(=O)c1ncc[nH]1 2100483594 GVYHATOONHRFON-RRFJBIMHSA-N 389.460 0.511 0 50 GCAA O=C(c1ccncc1)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CO)CC1 2100539320 CGXPENNJTSQNJR-IRXDYDNUSA-N 386.452 0.128 0 50 GCAA O=C(O)CN(C(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O)C1CCC1 2325897432 WZWSSGKWPQTGOM-OAHLLOKOSA-N 399.403 0.527 0 50 GCAA CCC[C@H](C)c1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 1049212 AZANPZSFOIJAKB-VIFPVBQESA-N 391.457 0.828 0 50 GCAA O=C(NCc1cnn(Cc2ccccc2)c1)c1cn(CCN2CCOCC2)nn1 20996629 DLMSXLYVEJHTIE-UHFFFAOYSA-N 395.467 0.785 0 50 GCAA CCc1csc(CCNC(=O)Cn2ncc(N3CCOCC3)cc2=O)n1 23506441 NYZNYTNUAOMCLX-UHFFFAOYSA-N 377.470 0.458 0 50 GCAA CCOC(=O)[C@@H](C)NC(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1 65396399 PEACJRALYAWLPT-CYBMUJFWSA-N 377.445 0.986 0 50 GCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CCCN(C3CCN(C)CC3)C2)n1 71759990 YMEGYRGCVIUYBD-HNNXBMFYSA-N 376.505 0.413 0 50 GCAA CN1CC2(CCN(c3nccc(N4CCC(O)CC4)n3)CC2)C[C@H]1C(=O)O 72141756 PPJGAUWKAOLFFK-HNNXBMFYSA-N 375.473 0.813 0 50 GCAA CCN1CCN(CCN2CC3(CCN(Cc4ncc[nH]4)CC3)OC2=O)CC1 72477264 OLSVSYUBLNDNBN-UHFFFAOYSA-N 376.505 0.834 0 50 GCAA Cc1c(CN2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)cnn1C 91830858 REDSXCWKQLGQTQ-UHFFFAOYSA-N 378.502 0.761 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC(=O)N(CC)C1)CC2 95499862 MXSKCHOLQNHVRW-AWEZNQCLSA-N 387.484 0.891 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1ccnc1)CC2 95505921 RFWLRGMSWQBWJG-AWEZNQCLSA-N 386.456 0.716 0 50 GCAA CC(=O)Nc1ncc(S(=O)(=O)NC(=O)Cc2ccc3c(c2)OCO3)s1 225856542 FLIKEMPAOUOXOJ-UHFFFAOYSA-N 383.407 0.878 0 50 GCAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)CCNC(=O)Cc1ccccc1 262560584 YGLYLOMUNNOBME-UHFFFAOYSA-N 389.452 0.517 0 50 GCAA Cn1cc(S(=O)(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cn1 369151535 FHUIACORCNSRTG-CYBMUJFWSA-N 375.410 0.293 0 50 GCAA Cn1c(O)ncc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)c1=O 1073343849 XRBGFMNSFIMBPQ-KGLIPLIRSA-N 375.356 0.494 0 50 GCAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCC[C@@H](C4(O)CC4)C3)cc2c1=O 1772813703 PITGHUYPNCIVBB-LLVKDONJSA-N 379.438 0.565 0 50 GCAA Cn1ccnc1CCN1CCC2(CC1)CC(=O)N(Cc1ccnn1C)CCO2 1857706963 DEBVIZZBOAHAJE-UHFFFAOYSA-N 386.500 0.980 0 50 GCAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)C1 1875326812 NOEWERQOJKIMOS-SDDRHHMPSA-N 392.474 0.574 0 50 GCAA Cn1c(N2CC[C@@H](NCc3cnnn3Cc3ccccc3)C2)cc(=O)n(C)c1=O 1875397896 SBSPKGNQRCTOHY-MRXNPFEDSA-N 395.467 0.092 0 50 GCAA O=C(NCCN1CCCOC1=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100545551 VUGHTBSFOYNYIU-SJORKVTESA-N 388.424 0.471 0 50 GCAA O=C(O)CCCCNC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895475 BHUVUXZITIRDGS-CQSZACIVSA-N 387.392 0.432 0 50 GCAA CCOCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71752578 LYRIVJARAMGIKJ-QGZVFWFLSA-N 380.533 0.500 0 50 GCAA COc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)c1O 91381999 SQQYFSBWZQNOEZ-HZPDHXFCSA-N 377.485 0.719 0 50 GCAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)C[C@H](O)CN)CC2)n1 95371319 MRTUKAKMMPUUOM-NSHDSACASA-N 375.395 0.977 0 50 GCAA Cc1ccc2nc(CNC(=O)CCn3nnnc3CN3CCOCC3)cn2c1 95508623 COKFWYOQARGVIM-UHFFFAOYSA-N 384.444 0.168 0 50 GCAA O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)Cn2ccnc2)CC1 95524517 RKHIWWMHESKQSZ-UHFFFAOYSA-N 380.412 0.736 0 50 GCAA COc1ccc([C@@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)N(C)S(=O)(=O)N2)cc1 222433791 VGKMOSDMXKVZKV-JYJNAYRXSA-N 383.470 0.570 0 50 GCAA CNC(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C 241383491 MVSCOUWBFYXWTH-LBPRGKRZSA-N 380.449 0.470 0 50 GCAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC[C@@H](O)CN1CCOCC1 252572033 YVBPYYYOALUYPO-CYBMUJFWSA-N 380.395 0.882 0 50 GCAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1=O 298293882 IDWSCTNUAIKYBD-FOIQADDNSA-N 384.436 0.723 0 50 GCAA COCC(=O)N1CC[C@@H](NC2CCN(c3cccc(OC)c3)CC2)[C@H](O)C1 299781495 WYSXPEFATGNANI-RTBURBONSA-N 377.485 0.862 0 50 GCAA Cc1nc2ccccn2c1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 890854992 KRLQMRYSNCLQAT-MRXNPFEDSA-N 385.468 0.440 0 50 GCAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CCn1ccc(O)nc1=O 1073299929 VKOXEUAMSIGRCF-CABCVRRESA-N 386.456 0.494 0 50 GCAA CCCn1ccnc1CN1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1616106536 WDDXOMSFRYUTBR-CABCVRRESA-N 376.486 0.571 0 50 GCAA CC(=O)NCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccco3)CC2)[C@H]1O 1704334362 IGUNJMHEITVTHJ-ZWKOTPCHSA-N 393.440 0.047 0 50 GCAA CCCNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2oc(CC)nc2C)C[C@H]1O 1775996814 JKNBFEZVFQAPTH-ZIAGYGMSSA-N 394.472 0.543 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cnn(Cc4ccccc4)c3)CCO2)n1 1857711672 BWZSKLYORNVEGO-QGZVFWFLSA-N 397.439 0.778 0 50 GCAA Cc1cc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c2c(O)nc(=O)n(C)c2n1 1875243891 CLPNUESPHHFVSG-UKRRQHHQSA-N 399.451 0.278 0 50 GCAA NC(=O)C[C@@H]1CN(C(=O)C2(c3ccc(Br)cn3)CCC2)C[C@H]1O 1875402966 NXEHIVWJEUTFCZ-ZYHUDNBSSA-N 382.258 0.961 0 50 GCAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cnc(C)nc1O)C[C@H]2O 2100545289 NDCXQTIPNQGDFW-NEYJZJCJSA-N 396.447 0.843 0 50 GCAA COCc1nn(C)cc1C(=O)NCC1(F)CN(C(=O)[C@@H](O)C2CCCC2)C1 2325827272 AYYQZEKXQBOPEA-HNNXBMFYSA-N 382.436 0.398 0 50 GCAA CNC(=O)c1noc(CN2CCC[C@]23CCCN(Cc2ccccn2)C3=O)n1 2356167190 JSMFJKYMVVNVEM-IBGZPJMESA-N 384.440 0.981 0 50 GCAA COC(=O)[C@@H](CCSC)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 4763479 GIJANGFGGZUVMG-KGLIPLIRSA-N 384.454 0.685 0 50 GCAA COc1cc(OC)nc(N2CCCn3nc(C(=O)N4CCOCC4)cc3C2)n1 65395245 LWNAOQDNDOBRNR-UHFFFAOYSA-N 388.428 0.573 0 50 GCAA Cn1ncc(N2CC[C@H](CNc3ncc(F)c(N4CCOCC4)n3)C2)cc1=O 65396288 CJSADPZACTZIIF-CYBMUJFWSA-N 389.435 0.484 0 50 GCAA Cn1cnnc1Sc1ccc(CN2CCN[C@H](C(=O)N3CCCC3)C2)o1 72163506 BWBCJLFUYFGYDA-AWEZNQCLSA-N 376.486 0.956 0 50 GCAA Cc1c(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@@H](O)C3)c2)cnn1C 95389301 LIBXZXNGOXIMNL-OAHLLOKOSA-N 378.454 0.414 0 50 GCAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCn3cnnc3)C2)cc1 95529786 BEZOHDJMRXICMJ-HNNXBMFYSA-N 379.486 0.977 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CCN3CCC[C@@H]3C2)nc1N1CCOCC1 96138619 WJVHHQYWWAAVGT-CQSZACIVSA-N 375.473 0.960 0 50 GCAA CN1CCCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)CC1 97815167 WWKBHMGHAYWYDP-HNNXBMFYSA-N 381.498 0.779 0 50 GCAA COc1ccc(CN2C(=O)[C@H](CC(=O)N[C@@H](CO)CCSC)N=C2O)cc1 252570800 XGLBOTRDEDLQKI-HIFRSBDPSA-N 395.481 0.940 0 50 GCAA Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CCN)cc1NS(C)(=O)=O 262836660 WLPGJRSWRVLPMF-HNNXBMFYSA-N 396.513 0.826 0 50 GCAA CNS(=O)(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 288497711 UBSBOHYGFSGIIJ-UHFFFAOYSA-N 376.442 0.315 0 50 GCAA O=C(NCc1nnnn1-c1ccccc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 593074640 PPJIKWIXSTXFTF-AWEZNQCLSA-N 377.408 0.722 0 50 GCAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CN2CCCCC2=O)cc1OC 1529113348 XHQOKCCGZKKLAR-YLJYHZDGSA-N 392.452 0.977 0 50 GCAA Cc1ccn2c(F)c(C(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)nc2c1 1529161613 MNVAAMSHXNLRCV-NWDGAFQWSA-N 384.433 0.106 0 50 GCAA Cc1cc(C)n(CC(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c(=O)n1 1565509106 SGWVGEAJJGNVSR-GJZGRUSLSA-N 378.454 0.807 0 50 GCAA O=C(O)CC[C@@]12CNC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2 1772700317 BQYSTEOQLXHWLV-SJCJKPOMSA-N 382.438 0.533 0 50 GCAA Cc1cc(=N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)[nH]c(-c2cccnc2)n1 1857527855 JSJZPRRVCHSLTM-HNNXBMFYSA-N 393.451 0.357 0 50 GCAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCN(C)C3=O)n1 1857671380 VSFVVGQJTJTBDR-ZDUSSCGKSA-N 388.428 0.908 0 50 GCAA O=C(N[C@H]1C[C@H](NC(=O)c2cc3n(n2)CCO3)C1)c1cncc(N2CCCC2)n1 1875309048 OAJSLIJMURHQBN-JOCQHMNTSA-N 397.439 0.357 0 50 GCAA CN1CCC[C@]2(CCCN2S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1=O 2356148088 GSZHTKYLEYKQJE-KRWDZBQOSA-N 379.438 0.907 0 50 GCAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 986514 DOGBAXDKIPSWJS-AWEZNQCLSA-N 398.510 0.354 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CCC(O)CC4)cc3)nn2)CN1 67649455 CWOAGZMJHAVRSU-WMZOPIPTSA-N 384.484 0.551 0 50 GCAA 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2100544637 CEPJZQRGJAYIOA-JYJNAYRXSA-N 392.452 0.563 0 50 GCAA CN(C)CCn1ccc(=NC(=O)NCCS(=O)(=O)NC2CCCCC2)[nH]1 2325748483 GEHSKSWOHBAGGH-UHFFFAOYSA-N 386.522 0.240 0 50 GCAA CCOC(=O)N1CCN(Cc2cnc(S(=O)(=O)CC)n2CCOC)CC1 19224415 HRRYZPQSHHQBHL-UHFFFAOYSA-N 388.490 0.597 0 50 GCAA O=C(NCc1cn2ccccc2n1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 19743395 JQODLZFEUABAAV-MRXNPFEDSA-N 385.468 0.521 0 50 GCAA Cn1nnc2cc(C(=O)N3CCC4(CC3)c3ccccc3[C@@H](N)[C@@H]4O)cnc21 72153092 XIWRLTALKZGXSZ-SJORKVTESA-N 378.436 0.912 0 50 GCAA CC(C)(O)CCc1cccc(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)c1 72418721 AGUSOSAKVKHWLG-INIZCTEOSA-N 384.498 0.780 0 50 GCAA Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)ccc1=O 91792894 LZCCAXMLLDJSLK-ZBFHGGJFSA-N 377.441 0.413 0 50 GCAA C[C@H](CO)NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95530257 BBJHJDVOECUMGC-CYBMUJFWSA-N 385.486 0.447 0 50 GCAA Cn1nnnc1SCCNC(=O)Nc1ccc(CN2CCOCC2)cc1 96149892 HQCFQEJEJBNXGZ-UHFFFAOYSA-N 377.474 0.956 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]nc2CC)CN1C1CCN(C)CC1 96164418 YQVWYZDZNCNCRY-GUYCJALGSA-N 376.505 0.375 0 50 GCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@@H]3CN(C4CC4)CCO3)ccc21 123648773 DJMGAGZCQVGKPI-CYBMUJFWSA-N 380.470 0.019 0 50 GCAA COC(=O)[C@H]1C2[C@H]3[C@H]4C([C@H]1C(=O)OC)[C@@H]1[C@H]2C3(COC(C)=O)C41OC(C)=O 253488249 AAIDZJWLJGLDMD-RXKIOWNESA-N 378.377 0.181 0 50 GCAA C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@](O)(C(N)=O)C1 286135541 KHYIPZCRPCEHCA-KKSFZXQISA-N 388.512 0.468 0 50 GCAA CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 736131525 OEQNKWGKICAESM-ZDUSSCGKSA-N 399.513 0.558 0 50 GCAA O=C(NCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)[C@H]1COc2ccccc2O1 952971540 KDSGDEHRIZKJEI-QGZVFWFLSA-N 398.419 0.578 0 50 GCAA CCc1cc(N2CCN(S(=O)(=O)N3CCC[C@@H](COC)C3)CC2)ncn1 1506425817 RSSWCLRGUTXTLY-OAHLLOKOSA-N 383.518 0.764 0 50 GCAA COCC(=O)N[C@]1(C)CCOC2(CCN(CCCn3cccn3)CC2)[C@H]1O 1772712597 UNCUFBILKMUMSR-ZWKOTPCHSA-N 380.489 0.410 0 50 GCAA CS(=O)(=O)CCN1CCC2(CC1)CC(=O)N(C[C@@H]1CCCOC1)CCO2 1857684189 CGIUYWCSOLUFJC-INIZCTEOSA-N 388.530 0.541 0 50 GCAA COCCN=c1[nH]c(C)nc2c1CCC21CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1857685490 LFZOJQMTHFAYOI-HNNXBMFYSA-N 387.484 0.350 0 50 GCAA CC(C)CCN1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)CC1=O 1857689954 QBPKRYPTQBLUIC-QGZVFWFLSA-N 381.517 0.973 0 50 GCAA CC(C)(C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@H]2C1)c1nc[nH]n1 1875362250 XVDWCILLZMUKHM-YABSGUDNSA-N 380.412 0.240 0 50 GCAA Cc1cccc(N=c2[nH]c(CN3CCC4(CC3)CNC(=O)CO4)nc(=N)[nH]2)c1 2356152945 JFQLUJGYMQSRNO-UHFFFAOYSA-N 383.456 0.239 0 50 GCAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Cn1nnnc1CN1CCCC1 12386152 DUKHHBQCCPHLJJ-GOSISDBHSA-N 383.500 0.784 0 50 GCAA CCOC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 20866783 DAVIRUJMMFHTNL-HNNXBMFYSA-N 383.395 0.677 0 50 GCAA CCN(CC)C[C@@H](O)COc1cc(CN2CCN(CCO)CC2)ccc1OC 23359768 DFBVPLUVWZRZJZ-LJQANCHMSA-N 395.544 0.887 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(CO)CC2)c(F)c1 39557856 NEWOQPRRWVAOPB-SFHVURJKSA-N 393.459 0.756 0 50 GCAA CCc1nc(CCN2CCN(C)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1 95496639 GETJGGJCSOXQTK-UHFFFAOYSA-N 378.502 0.267 0 50 GCAA COCCCN(Cc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 244673775 HVFBJVZULYIQHL-MRXNPFEDSA-N 386.452 0.975 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccc(C(=N)O)c2)C1=O 328610536 IJMJCJHWTFHKOZ-ZDUSSCGKSA-N 377.426 0.777 0 50 GCAA COc1cccc([C@H](C(=O)O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 634690841 URKDQSLSTZHFFP-MRXNPFEDSA-N 399.469 0.016 0 50 GCAA CS(=O)(=O)c1ccc(OCCO)c(NS(=O)(=O)C[C@H]2CCCCO2)c1 888093483 XKFOESWIAUZFGW-GFCCVEGCSA-N 393.483 0.772 0 50 GCAA O=C(COC(=O)c1nnc(O)c2ccccc12)NCCN1C(=O)CSC1=O 952962002 VWEDTQTWMDCRLS-UHFFFAOYSA-N 390.377 0.304 0 50 GCAA CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2nnc(O)c3ccccc23)CC1 952984122 OGODXBGFCACFRP-LBPRGKRZSA-N 378.454 0.933 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O 1529102164 YWGLDEWPKFRCKQ-XJKSGUPXSA-N 380.470 0.137 0 50 GCAA COC(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1 1857733000 QDVUKONEANHGLP-IKGGRYGDSA-N 389.452 0.523 0 50 GCAA CN1CCO[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1875332019 KEPFEHJTIZIABC-FXAWDEMLSA-N 385.468 0.862 0 50 GCAA C=CC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C1 1875381010 HEJYEUAAIBWXHQ-LBPRGKRZSA-N 377.422 0.076 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)n1 1940193383 GTUPFNKXGMDKOD-IYVPYFHTSA-N 375.381 0.321 0 50 GCAA CCn1cc(-c2nn(C)cc2C(=O)N2C[C@@H](OC)[C@@H](OC)[C@@H]2COC)cn1 2325816850 FLXBEPVLZPPRFW-UXLLHSPISA-N 377.445 0.804 0 50 GCAA CC[C@H](C)n1c(SCC(=O)N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 678151 WSRSMDOXPUHGNS-NSHDSACASA-N 395.485 0.356 0 50 GCAA O=C(NCC1(N2CCOCC2)CCCC1)c1cn(C[C@H]2CCCNC2)nn1 65501691 AJILMGNGZFXPLO-INIZCTEOSA-N 376.505 0.653 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(=O)c1cccn1C)CC2 95509521 WPJNCCNWJQPPKA-UHFFFAOYSA-N 399.451 0.480 0 50 GCAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(N)CC3)c2)no1 216083555 FAIYFQWSFXQGRW-UHFFFAOYSA-N 379.442 0.420 0 50 GCAA Cc1nc(C)c(CC(=O)N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)s1 216956134 MFZQMDYNFHZIKV-JSGCOSHPSA-N 375.454 0.484 0 50 GCAA COc1cccc([C@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C(=O)O)c1OC 222536698 RAPAKEFTKCIHQA-KGLIPLIRSA-N 376.409 0.953 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3noc(C4CCCC4)n3)C[C@H]2C1 247523909 MKQGPXHQAVDMEX-YOEHRIQHSA-N 384.502 0.946 0 50 GCAA CNC(=O)c1ccc(CS(=O)(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 253431948 YYFZBSQLHASUGP-HNNXBMFYSA-N 397.522 0.873 0 50 GCAA Cc1nn(Cc2nnc3n2CCCCC3)c(C)c1S(=O)(=O)N1CCOCC1 278658289 MZKAHXTXDUFOFP-UHFFFAOYSA-N 394.501 0.887 0 50 GCAA CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cnc2nc(O)nc(O)c2c1 284799865 YQFVDPAJQGDJGV-SNVBAGLBSA-N 395.441 0.505 0 50 GCAA CCN1CCN(CC(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)CC1 299792993 IFZNDHJXEHOAEZ-UHFFFAOYSA-N 388.516 0.279 0 50 GCAA COc1cc(CN2CCN(c3cncc(C(N)=O)n3)CC2)cc(OC)c1OC 426899878 ZVPQFRLTKVKVCJ-UHFFFAOYSA-N 387.440 0.924 0 50 GCAA CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 427594429 QHHZBLAHBZAJNH-BXUZGUMPSA-N 380.470 0.692 0 50 GCAA NC(=O)c1noc(CNC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)n1 584894801 AJMCNMAXMSWGSB-UHFFFAOYSA-N 386.412 0.407 0 50 GCAA CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2ccccc2F)CC1 905157013 OHUWPDSKOXCRDV-UHFFFAOYSA-N 378.451 0.948 0 50 GCAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CC[C@@]4(CNC(=O)CO4)C3)cc12 1772815728 ZCEIZGFAMYQQEV-QGZVFWFLSA-N 377.422 0.528 0 50 GCAA CO[C@H]1C[C@@H](C(=O)NCc2[nH]nc3ncccc23)CC[C@@H]1NS(C)(=O)=O 1857684259 FNYVNEMYNMWKMV-JKOKRWQUSA-N 381.458 0.307 0 50 GCAA CC(C)(CO)Cc1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355903 GGMAUPBEQWYONS-MRXNPFEDSA-N 397.435 0.589 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cccc4[nH]c(=N)sc34)CCO2)n1 2100483460 WAENZHPHUSRQOF-GFCCVEGCSA-N 389.441 0.555 0 50 GCAA CCn1nc(C)c(CNC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1C 2325818172 BUZAEXFAQXXFHJ-UHFFFAOYSA-N 377.445 0.579 0 50 GCAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1 2841429 FULYUJIECOLTBV-UHFFFAOYSA-N 378.483 0.643 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(O)CC1 15065490 BSZOUZGGRUVECW-KRWDZBQOSA-N 375.469 0.759 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccon2)c(OC)c1 72140547 DHFNXGQQVHBPFS-INIZCTEOSA-N 388.424 0.699 0 50 GCAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CCn2cncn2)CC1 96140051 DXHSFXSDCWBMNY-UHFFFAOYSA-N 383.460 0.931 0 50 GCAA CN1CCN([C@H]2CN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]2O)CC1 97347432 BJYRTHINBLOXFY-STQMWFEESA-N 384.383 0.833 0 50 GCAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 186659160 HOMGREKYLCZQJN-CYBMUJFWSA-N 386.481 0.945 0 50 GCAA NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCNC(=O)c2c[nH]c3ccccc23)C1 225559906 HDUWCBJTIFKGPP-CYBMUJFWSA-N 392.481 0.815 0 50 GCAA CCC(=O)N1CCN(Cc2nnc(-c3ccccc3)o2)[C@@H]2CS(=O)(=O)C[C@@H]21 253375846 RCSBHDJXAYZNLM-CABCVRRESA-N 390.465 0.956 0 50 GCAA O=C(O)COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1Cl 273636089 BEBKLNPELMFVJE-SECBINFHSA-N 389.817 0.202 0 50 GCAA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 277650402 YHXUZIJXQDENRD-WBVHZDCISA-N 395.481 0.807 0 50 GCAA O=C(CN1CCS(=O)(=O)CC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 288441649 OVLOXZMGPUYVRW-FQEVSTJZSA-N 391.537 0.841 0 50 GCAA CO[C@@]12CC[C@@H](NC(=O)c3cccnc3)C[C@@H]1N(C(=O)Cn1cnnn1)CC2 534647236 IPAIYTFNVDPZLH-RVKKMQEKSA-N 385.428 0.037 0 50 GCAA Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@H](n4cc(C(=O)O)nn4)CN3)CC2)c1 828128639 WTUBWCIKVKUFAT-IRXDYDNUSA-N 398.467 0.973 0 50 GCAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C3)cc1 1506404021 QTEKMJRPUNSEMV-HNNXBMFYSA-N 395.419 0.906 0 50 GCAA Cc1ccc2cc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c(O)nc2c1 1529120688 JIPWMHMYIVWHDT-DOTOQJQBSA-N 379.482 0.933 0 50 GCAA CC(=O)Nc1nonc1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C 1529168573 FZSGCYHSMNEWAO-AWEZNQCLSA-N 386.412 0.666 0 50 GCAA CCc1nc(C)cc(N2CCC3(CC2)OCC[C@@](C)(NC(=O)COC)[C@@H]3O)n1 1772710484 ROUBIOQRQTWCIP-RBUKOAKNSA-N 392.500 0.989 0 50 GCAA O=C(NCC(=O)N1C[C@H]2CN(Cc3ccncc3)C[C@]2(CO)C1)c1ccccc1 1772811270 SQTQQLMKHLGJSJ-DENIHFKCSA-N 394.475 0.764 0 50 GCAA Cn1nccc1CCC(=O)N1C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@]2(CO)C1 1772819663 YTNCYLFILQQGAX-DYESRHJHSA-N 397.479 0.270 0 50 GCAA CN(C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(CCCn2cccn2)CCO1 1857676423 SKVUYVPPGGUKSA-PIIMJCKOSA-N 397.545 0.777 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@@H]12 1857688736 YQAQOVGYGVSQEJ-LZWOXQAQSA-N 378.454 0.324 0 50 GCAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1S(=O)(=O)N1CCC(F)(F)C1 1875397678 KDPHXSOCORDLAN-GHMZBOCLSA-N 377.417 0.880 0 50 GCAA CO[C@@H](C(=O)NCC1CN(C(=O)c2c(C)nn3ccccc23)C1)[C@H]1CCOC1 2325828689 OFCUFAWZPKGNID-MAUKXSAKSA-N 386.452 0.882 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cn3cc[nH]c(=O)c3n2)c1 2325862886 MJXGRFXJMRJMAG-UHFFFAOYSA-N 383.368 0.272 0 50 GCAA NCCn1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)nn1 77388359 DCSJVJVXHURIRG-UHFFFAOYSA-N 378.440 0.656 0 50 GCAA CCn1ccc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc1=O 91934589 HQUSHRHPQBPHAG-FQEVSTJZSA-N 377.485 0.804 0 50 GCAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 95515287 MZPCBJQXNQLTPR-OAHLLOKOSA-N 375.473 0.867 0 50 GCAA COCCc1noc([C@H]2CCCCN2C(=O)Cn2cc(C)c(=O)[nH]c2=O)n1 219069978 APJSCZXGCYDJPN-GFCCVEGCSA-N 377.401 0.171 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1nc(C(=O)N2CCCC2)c2ccccn12 244305493 XAHDZROOIJSTSV-LBPRGKRZSA-N 376.438 0.487 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]1c1ncc[nH]1 328627306 MPPASVJIZKAHRP-OAHLLOKOSA-N 390.469 0.278 0 50 GCAA O=C(C1CCCC1)N1CC(S(=O)(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 329714360 SWEONIRWQINIOJ-HNNXBMFYSA-N 398.506 0.835 0 50 GCAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 670441488 YESUPXRLJAODIB-HNNXBMFYSA-N 391.435 0.969 0 50 GCAA COc1ccc(CCNC(=O)CN2C[C@H]3CN(C(C)=O)C[C@@]3(C(=O)O)C2)cc1 1565513311 CNZFRDONXJOEBI-JXFKEZNVSA-N 389.452 0.219 0 50 GCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)cc1F 1616106512 UMHZAZHDAJWFBZ-KGLIPLIRSA-N 390.458 0.017 0 50 GCAA COc1nc2c(cc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C)CCC2 1704358432 LPNSHCXDNKFDSB-WFASDCNBSA-N 383.470 0.215 0 50 GCAA O=C(CCn1cccn1)N1C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@]2(CO)C1 1772703483 GFGFASMMXZTZTD-APWZRJJASA-N 388.493 0.857 0 50 GCAA CCCCc1nnc2n1C[C@]1(CCN(C(=O)c3cc4n(n3)CCNC4=O)C1)OC2 1857694106 ARUGSRLUDOKOHT-LJQANCHMSA-N 399.455 0.376 0 50 GCAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3nc(N)c4cnn(C)c4n3)C1)CC2 1857708385 QWTZSPDVOOECLY-LJQANCHMSA-N 395.471 0.992 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)NCCc3nncn3CCOC)CC2=O)s1 1857737711 ZMDTXTXERGLICK-LLVKDONJSA-N 393.473 0.050 0 50 GCAA N=c1cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)[nH][nH]1 1940197801 RRAXPQXXNPDBMQ-UHFFFAOYSA-N 399.455 0.275 0 50 GCAA Cn1nnc([C@H]2CN(C(=O)CCCc3nc(-c4ccncc4)no3)CCO2)n1 2100483721 JUELMQAYZIVQRD-CYBMUJFWSA-N 384.400 0.578 0 50 GCAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(N)=O)c3ccccc32)c(OC)c1 783817 AAFXTNABGZBSNK-HXUWFJFHSA-N 384.388 0.996 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccon2)c(F)c1 11953933 STSSVBLONQHDJW-INIZCTEOSA-N 376.388 0.829 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 12314720 WJPPLKGDPLBKLS-HNNXBMFYSA-N 381.404 0.156 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCC(O)CC1)CO2 71761333 MIILOIBMAGTNLG-HNNXBMFYSA-N 391.468 0.633 0 50 GCAA CCc1ccc(CN2CCN(Cc3ncc[nH]3)[C@H]3CS(=O)(=O)C[C@H]32)nc1 72409324 CUWLCFIYHCFWOZ-SJORKVTESA-N 375.498 0.851 0 50 GCAA CC(C)n1cc(C(=O)N2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 82107776 LVHJMNOKXGDVSS-CABCVRRESA-N 392.485 0.311 0 50 GCAA CN(C)CCn1ccc(NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)n1 173911275 YCRAXBUOPGWBOS-UHFFFAOYSA-N 398.475 0.476 0 50 GCAA COC(=O)c1cn(-c2ccc(S(=O)(=O)NC(C)=O)cc2)cc2c(=O)[nH]nc1-2 252494861 OGTMWAUONIILHB-UHFFFAOYSA-N 390.377 0.277 0 50 GCAA Cn1ncc2c(=O)n(CC(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)cnc21 261733748 CYKSYJCAEDJOOR-OAHLLOKOSA-N 386.843 0.957 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)N(C)Cc2nncn2C)cc1 534584805 KZWNPPIGXPXKQB-UHFFFAOYSA-N 380.474 0.634 0 50 GCAA CN1CCC[C@H]1C(=O)N1CCOC2(CCN(c3cncc(C(=O)O)n3)CC2)C1 952860039 ARABFEFFKJZZFV-HNNXBMFYSA-N 389.456 0.467 0 50 GCAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 1506424898 MMMWPTSFVXCJOM-HNNXBMFYSA-N 385.534 0.604 0 50 GCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 1565530616 VBEHPHRYBIDCGZ-QWRGUYRKSA-N 378.303 0.242 0 50 GCAA Nc1ccc(C(=O)N2C[C@@H]3CN(c4cnccn4)C[C@]3(CCC(=O)O)C2)cn1 1800413441 HSKRMEYEODDCMJ-IFXJQAMLSA-N 382.424 0.897 0 50 GCAA Cn1cc(CNC(=O)[C@@]23CCCCN2C[C@@H](NC(=O)c2cccc(O)n2)C3)cn1 1857685495 LHRNPCDGWLJTGL-YWZLYKJASA-N 398.467 0.564 0 50 GCAA CC(C)CCN1CC2(CCN(C(=O)[C@H]3CN(C)CCO3)CC2)OCCC1=O 1857710483 ZGCFGBGHJKXDLX-QGZVFWFLSA-N 381.517 0.973 0 50 GCAA Cc1[nH]nc2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc12 1875267595 KXKZIGBAPJUINP-UHFFFAOYSA-N 385.424 0.015 0 50 GCAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)N3C[C@H]4[C@@H](N)CC[C@H]4C3)nc12 1875350206 FCOQUNDRXKXVTA-TUAOUCFPSA-N 380.408 0.898 0 50 GCAA CC(C)(CO)Cc1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355902 GGMAUPBEQWYONS-INIZCTEOSA-N 397.435 0.589 0 50 GCAA O=C(CN1CCN(C2CC2)C1=O)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403506 VPPICXGFVKDXED-KCPJHIHWSA-N 381.864 0.692 0 50 GCAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCN[C@@H](c2ccc(F)cc2)C1 2325760692 MVXHJURXLRQQBL-MRXNPFEDSA-N 384.415 0.971 0 50 GCAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1OC 783805 VVIXZARZSLEHCW-HXUWFJFHSA-N 384.388 0.996 0 50 GCAA CS(=O)(=O)N1CCCN(Cc2nc(-c3ccc(C(=O)O)cc3)no2)CC1 67934104 CKUVLFKFLNDLJL-UHFFFAOYSA-N 380.426 0.902 0 50 GCAA O=C(NC[C@H](O)CN1CCNCC1)c1ccc2nc(-c3ccccc3)cn2c1 82087539 LYWMZPCOENGFIE-SFHVURJKSA-N 379.464 0.997 0 50 GCAA Cn1c(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc2ccccc21 96148997 STAQIXCKJNUPDK-RDTXWAMCSA-N 377.466 0.956 0 50 GCAA O=C(NCC1CCNCC1)c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1 97642151 PWEGNGTVQWQKOE-UHFFFAOYSA-N 377.470 0.618 0 50 GCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2CCS(=O)(=O)c1ccccc1 248039220 VERLSERUNHHTBT-SJORKVTESA-N 379.526 0.945 0 50 GCAA CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 328630955 JYQYBVJDIBWRRI-KBPBESRZSA-N 377.472 0.988 0 50 GCAA O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)C1 329702434 IDOGTARFXMKYOP-ROUUACIJSA-N 399.557 0.950 0 50 GCAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1c(O)nc2ccccc2c1=O 368744867 VHKYWSKNBVNTOY-QGZVFWFLSA-N 392.415 0.802 0 50 GCAA CO[C@@]12CC[C@@H](NC(=O)CSC)C[C@@H]1N(C(=O)CCn1cncn1)CC2 534582453 JLEZOFXQVRTCAC-JKIFEVAISA-N 381.502 0.686 0 50 GCAA Cn1nc(C(=O)NCC2CCN(Cc3cccc4nonc34)CC2)ccc1=O 828150367 MXTXYEAFVFKHQC-UHFFFAOYSA-N 382.424 0.959 0 50 GCAA Cc1n[nH]cc1CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 952991219 QMTUMJRNXYCVNF-UHFFFAOYSA-N 387.487 0.757 0 50 GCAA O=C(NCCN1CCc2ccccc21)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 1565507448 RVAPWABRSXVTDZ-ROUUACIJSA-N 386.496 0.250 0 50 GCAA Cc1nc2ccc(CC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3NS(C)(=O)=O)cc2[nH]1 1565530410 HIIKPRNSCCMJFW-FKSAFCJBSA-N 378.454 0.235 0 50 GCAA O=C(COCc1ccccc1)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCCO)C1 1875241639 DEKDGSBOTYNIJL-RXVVDRJESA-N 389.496 0.815 0 50 GCAA CC(=O)N1CC(C(=O)NCC2[C@@H]3CN(C(=O)c4cccc5nc[nH]c45)C[C@@H]23)C1 1875360283 DOQZWXHEIDYGDI-HOTGVXAUSA-N 381.436 0.475 0 50 GCAA C[C@@H]1COC[C@@](CO)(CN[C@H]2CCCS(=O)(=O)C2)N1Cc1ccccc1 1875392647 LXRJWGPQTZBKKF-NEWSRXKRSA-N 382.526 0.805 0 50 GCAA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2100483765 NDCNDLMRSHQOHH-DZGCQCFKSA-N 393.444 0.905 0 50 GCAA O=C([C@@H]1CN2CCN1CC2)N1CCCC[C@@H]1Cc1ccc(-c2nn[nH]n2)cc1 2325808687 VZJSDFQWBITRBM-MSOLQXFVSA-N 381.484 0.790 0 50 GCAA CN1CCN(CCC(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)CC1 2356154508 YMOXOEHJMBXVDM-NRFANRHFSA-N 386.544 0.987 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)c3cccc(Cl)c3F)nn2)CN1 67692805 RHJJOKMGPUKMHX-FZMZJTMJSA-N 394.838 0.992 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cnc(C)nc3)CC2)C1 71758904 CZPBUQJSGKVDMH-MRXNPFEDSA-N 389.500 0.864 0 50 GCAA CN1CCC(N[C@@H]2CC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 72410920 HSANKSRFIOHILJ-CVEARBPZSA-N 381.498 0.951 0 50 GCAA Cc1cc(=O)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc1C 77407472 MFOJLZBHAIFTPH-IBGZPJMESA-N 376.457 0.084 0 50 GCAA CCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95387644 SGRNHMSWPXWYRP-MRXNPFEDSA-N 381.498 0.922 0 50 GCAA COCCc1nc(Cn2nc3ccccc3n2)n([C@H]2CCS(=O)(=O)C2)n1 95509470 OKNFZACUNXBKPD-LBPRGKRZSA-N 376.442 0.620 0 50 GCAA Cc1c(F)ccc(OCC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c1Cl 211891722 CDPZOBNOOHLKAV-NEPJUHHUSA-N 376.837 0.764 0 50 GCAA COCCn1nnnc1[C@H]1CN(Cc2cc3c(cc2OC)OCO3)CCO1 215859076 PRIXGQJNZLVZCE-MRXNPFEDSA-N 377.401 0.630 0 50 GCAA COc1ccc([C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H]2C[C@@H](O)C2)cn1 244787887 QFPNNGIJXARPIM-VBQJREDUSA-N 391.449 0.980 0 50 GCAA COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCOC[C@]23CCOC3)c1 375582705 HBKSMGNUGKNKON-QGZVFWFLSA-N 399.421 0.440 0 50 GCAA CNS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1 534654406 KEIXTOVYTYLQLM-LBPRGKRZSA-N 380.430 0.527 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(CCCC(=O)c3ccccc3)C[C@]2(C(=O)O)C1 1565529003 PCMJZDVBTNEPGO-YJBOKZPZSA-N 380.466 0.928 0 50 GCAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@@H]1CNC(=O)c2ccccc21 1875313289 OGSVYJWVNLRXKX-CYBMUJFWSA-N 375.406 0.812 0 50 GCAA COC(=O)C[C@@H]1CSC(NC(=O)[C@H]2CCC(=O)N(CC(F)(F)F)C2)=N1 2325780111 HZADPCFAXISQLC-DTWKUNHWSA-N 381.376 0.938 0 50 GCAA C[C@H]1C[C@@H]1C(=O)N1CCC(n2ncc3c2CN(C(=O)CS(C)(=O)=O)C3)CC1 2325872972 TYAGOUUWMKBREP-WFASDCNBSA-N 394.497 0.589 0 50 GCAA CC(C)(CC(=O)O)NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896069 QEFQDESYFZEDQI-ZDUSSCGKSA-N 387.392 0.431 0 50 GCAA O=C1OCCN1CCNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 12429763 WUQYHDGXFIDJJV-KRWDZBQOSA-N 379.457 0.300 0 50 GCAA CS(=O)(=O)c1ncc(CN2CCN(CC3CC3)CC2)n1C[C@@H]1CCCO1 20119268 BETDCRPSQUYVLT-KRWDZBQOSA-N 382.530 0.993 0 50 GCAA Cc1nn(C)c2ncnc(N3CC[C@]4(C3)C(=O)N(CC(N)=O)c3ccccc34)c12 72470790 FKQTYPXPGDOOOR-HXUWFJFHSA-N 391.435 0.652 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(CO)o1)CCN2Cc1ccccn1 72474641 GMBXPWUJJMKOEQ-MSOLQXFVSA-N 377.466 0.650 0 50 GCAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cn1nnnc1CN1CCOCC1 95529197 DJHWJCMABIBZGQ-UHFFFAOYSA-N 376.465 0.185 0 50 GCAA NS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 100973602 LULIGBYXNIGAHB-KRWDZBQOSA-N 387.461 0.794 0 50 GCAA CC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCc2noc(C)n2)c1)C(=O)NC 215723912 XQKHOGVTSIDGDS-CYBMUJFWSA-N 395.441 0.111 0 50 GCAA C[C@H]1CCN(CC[C@@H](C)N2CC[C@@H](C)S(=O)(=O)CC2)CCS1(=O)=O 330274162 JRBTYORVPKDQLZ-OWCLPIDISA-N 380.576 0.783 0 50 GCAA O=C(CCCn1cncn1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670469813 TXIPRRMDDQDSHZ-TWMPVWRBSA-N 380.496 0.742 0 50 GCAA O=C1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)N1 798580299 OFHBDMQVAMMYJJ-TZMCWYRMSA-N 396.421 0.106 0 50 GCAA COc1cc(C)nc(N2CCC(N3C(=O)N[C@H]4CN(C(C)=O)CC[C@H]43)CC2)n1 888103349 DOKPAASKMKDBHD-JKSUJKDBSA-N 388.472 0.777 0 50 GCAA CN(C)c1ncc(Br)c(C(=O)N2CCN[C@H](c3cn[nH]c3)C2)n1 1337379130 TZSJOMUPERXDNW-NSHDSACASA-N 380.250 0.815 0 50 GCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857673959 UWGXPUOCUPAUTI-KRWDZBQOSA-N 397.479 0.785 0 50 GCAA CCOC(=O)N1CCC(NS(=O)(=O)CC[C@H]2CCS(=O)(=O)C2)CC1 1857683992 UPOMVCUNRYRNRH-GFCCVEGCSA-N 382.504 0.352 0 50 GCAA CCOCCC(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857721278 HVMSHSFAIMZJJE-ICSRJNTNSA-N 393.532 0.753 0 50 GCAA COC(=O)CCc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cc1 1875244824 WHMDWCFWGRIIBE-HOTGVXAUSA-N 382.482 0.743 0 50 GCAA CN1CCN(C(=O)[C@H]2CC[C@H]3OCCN(C(=O)c4cccc(O)n4)[C@@H]3C2)CC1 1940196551 RUAIJEABSADRFZ-USXIJHARSA-N 388.468 0.571 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NC4(C(=O)O)CCC4)ccc3C2=O)C(=O)N1 2325896425 YHSHYMXMBZRCIS-ZDUSSCGKSA-N 385.376 0.185 0 50 GCAA Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N2CCn3ncnc3C2)cc1 2332237995 UBGHZIRMTVFCBK-HZPDHXFCSA-N 389.481 0.132 0 50 GCAA CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 1015664 BZJXKSOUSMHMEU-UHFFFAOYSA-N 377.260 0.928 0 50 GCAA 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398.423 0.972 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CC(=O)O 12443284 QARBDWRSIPIJAN-UHFFFAOYSA-N 397.435 0.967 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)CC1 12474732 YXGDFYFNELVZMQ-HNNXBMFYSA-N 377.493 0.421 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCOCC2)cc1OC 14968921 DLCFUTUBRHNODA-HNNXBMFYSA-N 377.441 0.253 0 50 GCAA CCc1nc(C)sc1CNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 91656794 OFBWLBDKMUNOOX-KGLIPLIRSA-N 380.514 0.715 0 50 GCAA COc1cccc(C(=O)N2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 91690458 QUBKLYHYFHMCJC-CABCVRRESA-N 382.438 0.093 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3cccc(-n4cnnc4)c3)cc2C1 91848892 BHXPCLFGSIHNPC-UHFFFAOYSA-N 394.439 0.891 0 50 GCAA O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2cccnc2)CC1 126196765 YRKXTSIORMGLAS-UHFFFAOYSA-N 375.454 0.761 0 50 GCAA COc1cccc(/C=C(/C(=O)N2CCO[C@H](CC(=O)O)C2)n2nnnc2C)c1 328595014 INSZYTINBRRAMU-AVIKPIRVSA-N 387.396 0.690 0 50 GCAA Cc1nn2cc(S(=O)(=O)N[C@H]3CC(=O)N(C(C)C)C3=O)cnc2c1Cl 329133356 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CN1CCOC2(CCN(C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)CC2)C1 1772810192 DDOLRUBMGDYEGE-UHFFFAOYSA-N 399.488 0.915 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O 1857673515 KDVCXGGKSDAVIZ-UHFFFAOYSA-N 379.384 0.424 0 50 GCAA OC[C@H](Cn1cnc2c(N3CCC[C@@H](c4nn[nH]n4)C3)ncnc21)[C@@H]1CCOC1 1875269245 PAJLPVCDRPVSTJ-MCIONIFRSA-N 399.459 0.368 0 50 GCAA CN(C(=O)C[C@@H]1CCC(=O)NC1)C1CCN(c2ncnc3c2ncn3C)CC1 1875334026 VKMLJTWHGNENGE-ZDUSSCGKSA-N 385.472 0.707 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1[nH]nc(C(F)(F)F)c1C)C2 1875395576 FNRCIXNFFJIVTC-MRVPVSSYSA-N 394.375 0.112 0 50 GCAA O=C([C@H]1CCn2c(cnc2-c2ccccc2)C1)N1CCS(=O)(=O)[C@H](CO)C1 2325810989 VSHWGJUSIZWWFQ-RDJZCZTQSA-N 389.477 0.730 0 50 GCAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC 12315610 FJTPAIBRBCUETF-OAHLLOKOSA-N 393.440 0.026 0 50 GCAA CCOC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC 12437886 PQJCSNOBDXSOFF-OAHLLOKOSA-N 377.441 0.455 0 50 GCAA Cc1cc(N)n(CC(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 72430281 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CN1CC[C@]2(C(=O)NCCn3cccn3)CCCN(C(=O)c3cc[nH]n3)[C@H]2C1 1857690836 NWDVOJXBIJQVDN-QFBILLFUSA-N 385.472 0.349 0 50 GCAA CC(C)(O)CC(=O)N1CCN(C2CN(C(=O)Cc3c[nH]c4cnccc34)C2)CC1 1875332436 RQYVJTIKQJWUKW-UHFFFAOYSA-N 399.495 0.621 0 50 GCAA COC(=O)CCNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 1940195512 USABDBFXFOZROU-APHBMKBZSA-N 398.406 0.832 0 50 GCAA CN1CCCN(C(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)Cc3ccccc3F)C2)CC1 2100539404 HCZVORIAJHNDLD-SZMVWBNQSA-N 377.460 0.788 0 50 GCAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCN(CCn4cncn4)CC3)cn12 2356150120 MUUYATGUTWFBKH-QGZVFWFLSA-N 398.471 0.468 0 50 GCAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(n2cnnc2)CC1 2356154397 UNGKSSUCKVBXEB-MOPGFXCFSA-N 396.451 0.968 0 50 GCAA COCCN1C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCC1=O 11842995 ZVZYNNRMJFUFMV-MRXNPFEDSA-N 391.443 0.882 0 50 GCAA O=C(NCCc1cn2ccccc2n1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 23339777 AODNSULJXNCIAC-KRWDZBQOSA-N 399.495 0.564 0 50 GCAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)CCn2cncn2)CC1 96166993 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LNQRUBAJVNLVIQ-LURJTMIESA-N 389.363 0.907 0 50 GCAA NC(=O)Cn1ncc(N2CCN(c3cccc(F)c3)C(=O)C2)c(Cl)c1=O 1875260686 SAGRMBCRUSAKTR-UHFFFAOYSA-N 379.779 0.374 0 50 GCAA CCc1cnccc1CNC(=O)N1CC2(C1)[C@H](C(=O)NC)CCS2(=O)=O 1875396256 ZYDNTLMUQJVKRQ-AWEZNQCLSA-N 380.470 0.089 0 50 GCAA CN1C(=O)[C@H](O)[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@H]2OC(C)(C)O[C@@H]32)[C@H]1c1ccccc1 1875405450 GOXOVOGZHZVROM-NDTJABFKSA-N 386.448 0.928 0 50 GCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C[C@H]1C(=O)O 2325897002 MAFBUIPMHAANMV-VCTAVGKDSA-N 399.403 0.240 0 50 GCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)COc4ccc(-n5cnnn5)cc4)C[C@@H]13)O2 2356167301 WLGNCPYBNAOVKY-LXZJYRNTSA-N 398.467 0.609 0 50 GCAA Cc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1 11970906 WWLZAIMCEXUUKW-QGZVFWFLSA-N 397.479 0.867 0 50 GCAA O=C1CNC[C@@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)N1 91893176 XSPKPXDMCOSVIM-KRWDZBQOSA-N 384.480 0.506 0 50 GCAA O=C1C[C@@H](NC(=O)CCn2nnnc2CN2CCOCC2)c2ccccc2N1 95531150 PPNSTCWAIYORRX-OAHLLOKOSA-N 385.428 0.095 0 50 GCAA C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCNC(=O)c1ccn[nH]1 181585096 GFZZGKGLOWAGEE-ZBFHGGJFSA-N 385.472 0.744 0 50 GCAA CN(C)C(=O)c1ccc(CN2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)o1 247988241 ZRTXHSMXJSHPDC-KBPBESRZSA-N 384.502 0.684 0 50 GCAA CCN1CCN([C@H](C)CNS(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 253432754 NKTLOKPVOUUJQE-AEFFLSMTSA-N 388.578 0.723 0 50 GCAA Cc1cn(CC(=O)N[C@H]2C[C@@H](c3cc(N4CCCC4)ncn3)C2)c(O)nc1=O 253535764 POMANIBLFZKHSH-OKILXGFUSA-N 384.440 0.710 0 50 GCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(CC)nn(C)c3CC)C2)n1 328613147 QWLPIEZKNAYHMN-INIZCTEOSA-N 383.474 0.773 0 50 GCAA COc1c[nH]c(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1=O 824528200 GFQWYLADNLLLEA-BGWLNWIQSA-N 394.475 0.681 0 50 GCAA Cc1noc(C)c1CCC(=O)N1C[C@H]2CN(Cc3nccn3C)C[C@]2(CO)C1 1772811022 QZFKEKJSSSUFRT-OXQOHEQNSA-N 387.484 0.910 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2[C@@H](NC(=O)c3cnn4ccn(C)c34)CCC[C@H]2C1 1857700418 BNXXEVYWQPTAAK-CFVMTHIKSA-N 394.501 0.310 0 50 GCAA Cc1cc(C)n(CCNC(=O)c2sc(N3CCOCC3)nc2C)c(=O)n1 1857710055 GAMZOESWRUQDMT-UHFFFAOYSA-N 377.470 0.892 0 50 GCAA Cc1cccnc1NCCNC(=O)c1cn2c(n1)CCN(S(C)(=O)=O)CC2 1875239790 FHZJRHXNPAVZFI-UHFFFAOYSA-N 392.485 0.246 0 50 GCAA CC(=O)NC1(C(=O)N[C@@H](CNC(=O)c2cc(C(N)=O)co2)C2CC2)CCCC1 1875347145 ISJOTOBCPGDPHE-AWEZNQCLSA-N 390.440 0.452 0 50 GCAA CC1(C)[C@H](CN)C[C@H](C(=O)NCc2nc(O)c3ccccc3n2)S1(=O)=O 1875359389 BPEMCJMADISNKA-GXFFZTMASA-N 378.454 0.492 0 50 GCAA COc1ccc(C(=O)N2CCO[C@H](c3nnn(C)n3)C2)cc1N1CCOCC1 2100543774 YPGBOTKELDZCEH-INIZCTEOSA-N 388.428 0.269 0 50 GCAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)CO[C@H]12 2325865499 FQSJWDDQPXUQBY-UMCUTINXSA-N 380.828 0.678 0 50 GCAA Cc1cccc(Cn2c(N3CCC(C(N)=O)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 631631 RTDPVEHTBXGKCA-UHFFFAOYSA-N 396.451 0.482 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4387821 UASUVKWEXXVNLY-ZIAGYGMSSA-N 386.495 0.391 0 50 GCAA CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1 20026509 ZLGHHFUDWSKMAI-UHFFFAOYSA-N 396.495 0.424 0 50 GCAA CCN1CCN(C[C@@H](O)COc2ccc(CNC(C)(C)CO)cc2OC)CC1 20784534 OAFLVVXUVXSYLV-GOSISDBHSA-N 395.544 0.933 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2 72411726 RZIOUQTUSSPDNP-UHFFFAOYSA-N 379.482 0.577 0 50 GCAA O=C(O)CCOCCOCCOCCOCCOCCOCCC(=O)O 79016464 YFBGEYNLLRKUTP-UHFFFAOYSA-N 382.406 0.035 0 50 GCAA in-vitro CC(C)CN1CCCn2nc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2C1 82139242 KXXIGQFDOMHZAI-HNNXBMFYSA-N 376.461 0.349 0 50 GCAA CN1CCC[C@H](CN(C)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 118841217 FVLZTGFMIDOONY-AWEZNQCLSA-N 378.502 0.839 0 50 GCAA Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)nc3)C2=O)cn1 182015689 CFZLYWUJYOCLLM-LLVKDONJSA-N 389.359 0.918 0 50 GCAA COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1C(=O)O 261630459 JLEQFFBBZHODTM-NSHDSACASA-N 377.440 0.727 0 50 GCAA CCn1c(C)cc(C(=O)N(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CCNC2)c1C 328631719 KUENBEQFXGSWIY-MRXNPFEDSA-N 387.484 0.527 0 50 GCAA O=C(N1CCCC1)N1CCC[C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 329079010 QRKAOKHPZNNREQ-GJZGRUSLSA-N 397.501 0.803 0 50 GCAA Cc1cc(O)nc(NCCNC(=O)NC2CCN(Cc3cccnc3)CC2)n1 426405494 KUKATHRUJJSMQG-UHFFFAOYSA-N 385.472 1.261 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)NC2(C(N)=O)CCCC2)cc1 534646052 KUOKJMUUTKMAPY-UHFFFAOYSA-N 382.486 0.761 0 50 GCAA C[C@H]1CN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)CC[S@](=O)C1 952832859 HGWJFYJIQZVWTJ-QDXKXIGTSA-N 379.486 0.337 0 50 GCAA CN1CCn2nc(-c3nc(CC(N)=O)nn3CCc3ccccc3)cc2C1=O 1857674353 FACABXKYRBWYLP-UHFFFAOYSA-N 379.424 0.498 0 50 GCAA CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3cc(C(N)=O)[nH]n3)C2)c(C)n1 1875331101 PGDXMFHPRYAIFZ-BUXKBTBVSA-N 399.455 0.458 0 50 GCAA CCCOc1cccnc1C(=O)N1CC2(C1)[C@@H](C(=O)NC)CCS2(=O)=O 1875396224 ZMAOUDSIIRDDPU-GFCCVEGCSA-N 381.454 0.246 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@]23CCCN(C)C3=O)ccc1OC 2356133832 GSZLEVLYODLOGL-GOSISDBHSA-N 395.481 0.830 0 50 GCAA CCn1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 2732764 NZOBIXAWCBEKLU-AWEZNQCLSA-N 394.501 0.662 0 50 GCAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccccn1)CC2 11975734 RKCVLJSKCJSZBM-INIZCTEOSA-N 378.502 0.978 0 50 GCAA COCCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 24562949 ZSLYRKQLJHHKFQ-OAHLLOKOSA-N 395.481 0.014 0 50 GCAA C[C@@H](Cn1cncn1)C(=O)Nc1ccccc1C(=O)NCCN1CCOCC1 55369019 MBPZWGWAGYMHDX-HNNXBMFYSA-N 386.456 0.615 0 50 GCAA CN(CCNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1)S(C)(=O)=O 67458038 GQVGRVOZOFEOTO-UHFFFAOYSA-N 376.442 0.429 0 50 GCAA COCC(=O)N1CCC2(CC1)CN(Cc1ccc(N(C)C)nc1)CCN2C 67956427 LWCREUYUMVDXJI-UHFFFAOYSA-N 375.517 0.903 0 50 GCAA CCc1noc(C)c1C(=O)N1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72479115 VGYOCPSVYDGSBZ-KGLIPLIRSA-N 381.454 0.405 0 50 GCAA CNC(=O)c1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 91469029 SJLPKKVYJNSYEV-AEFFLSMTSA-N 375.517 0.656 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)CCO2)n1 96140374 ICVDTYCWILMKQF-OAHLLOKOSA-N 388.428 0.100 0 50 GCAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)n1c(=O)n(C)c(=O)n12 101049936 ACGXSQJLMRJFPD-RKDXNWHRSA-N 377.011 0.837 0 50 GCAA Cc1ccc2nc(CN3C[C@H]4CN(S(C)(=O)=O)C[C@@]4(C(=O)O)C3)cn2c1 248334924 MIGSPJWXNOPODJ-GUYCJALGSA-N 378.454 0.421 0 50 GCAA Cn1cc([C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)[C@H]2C[C@@H](O)C2)cn1 252537324 KYKCGCAWIYYFLH-ISOBSLSZSA-N 382.417 0.449 0 50 GCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@@H](CO)CCSC)N=C2O)cc1 252570801 XGLBOTRDEDLQKI-UKRRQHHQSA-N 395.481 0.940 0 50 GCAA COCCNC(=O)Cn1cc(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cn1 363583798 XBJGRFDYVOLOCP-OAHLLOKOSA-N 391.432 0.665 0 50 GCAA COCCN(Cc1ccc(C)s1)C(=O)N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1 584892517 BWXVHGQKBBYUAB-JSGCOSHPSA-N 380.470 0.314 0 50 GCAA O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCn2cncc2C1 1319381220 OMSFZSJSVIGBGG-OAHLLOKOSA-N 383.456 0.091 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]12 1857683018 PETMYNIASDYHIV-MAZHCROVSA-N 376.482 0.681 0 50 GCAA O=C1CCCN1CC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857718307 SFXXNLNGTZDPIL-PXNSSMCTSA-N 388.468 0.305 0 50 GCAA CN(C)C(=O)c1cc(=NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cc[nH]1 1875398951 KBNUFSJNDSZVDO-HUUCEWRRSA-N 385.472 0.113 0 50 GCAA CN(C)CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nccc(=N)[nH]1)C[C@@H]2O 2100556706 PUASIYKPBGAGGV-NNNWTRQLSA-N 396.495 0.148 0 50 GCAA CC1(C)CN(C(=O)CNc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325896863 JDIPDNWVQJTNDM-CYBMUJFWSA-N 398.419 0.368 0 50 GCAA CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 637687 RPVBTPSKJZHLJS-CYBMUJFWSA-N 387.440 0.614 0 50 GCAA biogenic COC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 6275492 GGXSCSXVAVVZCP-LBPRGKRZSA-N 383.408 0.858 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCn1cccn1 13595598 QHKLJOJNHCIZQU-QGZVFWFLSA-N 385.468 0.789 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnn(C)c2)c(F)c1 14963577 ORXKMQSTEGNYAO-QGZVFWFLSA-N 389.431 0.575 0 50 GCAA NC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc2c1CCCC2 20573528 QBVYCBLMXWXTLX-UHFFFAOYSA-N 380.470 0.113 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 20598868 CIFAUSNBSHCLRU-HNNXBMFYSA-N 390.484 0.801 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)Cn3nc(Cl)ccc3=O)C2)nn(C)c1=O 67447306 CYGPBZSMIATUAB-LLVKDONJSA-N 380.836 0.218 0 50 GCAA C[C@@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77538835 QEXGNXFCFFRECM-CQSZACIVSA-N 389.477 0.868 0 50 GCAA COCCN(C)C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1CO 91872559 WXYCAPRGJQOOMU-HUUCEWRRSA-N 383.468 0.075 0 50 GCAA Cc1cnn(CCC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1 95364647 TVPYOVULQLTECY-MSOLQXFVSA-N 391.516 0.911 0 50 GCAA CN1CCN([C@H]2CCN(c3cc(N(C)C)ncn3)C[C@H]2CCC(=O)O)CC1 95371092 YYYOVCLNVFXNOA-CVEARBPZSA-N 376.505 0.850 0 50 GCAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)C2 95380215 IISVKMHVDZNPEG-CHWSQXEVSA-N 385.461 0.656 0 50 GCAA COCCn1nnnc1[C@@H]1CN(Cc2nc(O)c3sccc3n2)CCO1 253536273 COBOFDHAYGEJEG-NSHDSACASA-N 377.430 0.603 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(c3nc[nH]n3)CC2)o1 426683990 WVSHAGSPUUPBQA-INIZCTEOSA-N 386.456 0.803 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 1329540878 QTGYWQFYWOUHGP-IVMMDQJWSA-N 388.443 0.878 0 50 GCAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CN1CCCN(C)CC1 1506395941 BTNJAZORWYKAGJ-OAHLLOKOSA-N 383.518 0.436 0 50 GCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@H]21 1857672268 FPDISRJVJMPOJP-GJZGRUSLSA-N 381.454 0.154 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1F 1857682654 YGKGAVHBIVUGKV-KKUMJFAQSA-N 399.488 0.732 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)c2nc(=O)c3ccccc3[nH]2)[C@H]1c1cnn(C)c1 1857737541 ROSAWBFXQBDYFG-IRXDYDNUSA-N 396.451 0.801 0 50 GCAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 4502543 ABUVUNNCSXNKNO-AWEZNQCLSA-N 398.481 0.963 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 12593858 FXCSBIRTCVPCNH-OAHLLOKOSA-N 387.492 0.336 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)n[nH]c1=O 67643653 BTSDGVBOURTBGV-CQSZACIVSA-N 382.428 0.651 0 50 GCAA Cn1nc(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n(Cc2ccccc2)c1=O 67851407 AEDWETFAVYEKET-MRXNPFEDSA-N 383.452 0.615 0 50 GCAA O=C1OCCN1CCN1C(=O)N[C@](Cc2ccccc2)(C2CCNCC2)C1=O 67872859 JSLWBUWNEQLGPK-HXUWFJFHSA-N 386.452 0.972 0 50 GCAA COc1ccc(CCC(=O)N2CCN(C(C)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72429715 XWPKZOQBWRHRQX-SJORKVTESA-N 380.466 0.484 0 50 GCAA CO[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)C1 95368567 YCVFANJMSPYFDX-MRXNPFEDSA-N 381.498 0.874 0 50 GCAA COc1c[nH]c(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cc1=O 96139855 WPVWWUNXGNXSGI-DJJJIMSYSA-N 377.441 0.381 0 50 GCAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 96166602 LIHQBVZBPLVYDW-UHFFFAOYSA-N 383.460 0.817 0 50 GCAA O=C(NC[C@@H]1CCOC1)c1cccc(S(=O)(=O)NCCn2cccn2)c1 97831196 HFHFDJUXLSTRIL-AWEZNQCLSA-N 378.454 0.628 0 50 GCAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)OCO3)C2 219266591 JKKJRZBFUCAMDI-OAHLLOKOSA-N 379.438 0.706 0 50 GCAA COC[C@H]1CN(c2nc3c(c(N4CCO[C@@H](COC)C4)n2)SCC3)CCO1 252548595 QFCOQSFWDPHVBQ-ZIAGYGMSSA-N 396.513 0.828 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299802617 SXDVXVXZYDEFNX-GJZGRUSLSA-N 377.426 0.220 0 50 GCAA NC(=O)[C@@H]1CCCN1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 584902790 TWOKDQTYFWZGKN-HNNXBMFYSA-N 380.470 0.499 0 50 GCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCn2ccnc2C1 1321504174 DPDVHORLQSEGON-CYBMUJFWSA-N 387.465 0.909 0 50 GCAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1 1506424902 MMMWPTSFVXCJOM-OAHLLOKOSA-N 385.534 0.604 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 1704325106 DLAPYRAPPBKWFW-HOCLYGCPSA-N 378.454 0.509 0 50 GCAA CC(=O)N1CCN(C[C@H](O)C2CCN(C(=O)CCc3cccnc3)CC2)CC1 1857733486 MCFGGOWATXIGAK-FQEVSTJZSA-N 388.512 0.778 0 50 GCAA COc1ccc(CCNC(=O)CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1 2100537467 NVSCMGORLMTIRC-IRXDYDNUSA-N 391.468 0.071 0 50 GCAA NCC1(NC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CCCCC1 2325895907 MEBYKDMMYDRLAJ-INIZCTEOSA-N 398.463 0.839 0 50 GCAA O=C1C(=O)N(CN2CCN(CN3C(=O)C(=O)c4ccccc43)C2)c2ccccc21 19321445 CZMDKNPACZEFRC-UHFFFAOYSA-N 390.399 0.936 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCCc1ccccc1 20547987 XSOQPOYZIRUSRQ-UHFFFAOYSA-N 383.452 0.888 0 50 GCAA CN1[C@H](C(=O)NCCCn2ccnc2)C[C@H](c2cccs2)NS1(=O)=O 67630533 NACKPBBFWJICND-OLZOCXBDSA-N 383.499 0.731 0 50 GCAA O=C(NC(CO)CO)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 71614827 HVUYCFOAMUCADK-GOSISDBHSA-N 375.513 0.832 0 50 GCAA O=C(c1cnccn1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71764125 DTPDWFDXVGDDOA-MRXNPFEDSA-N 387.484 0.652 0 50 GCAA CCn1ccc(C(=O)N2CCOC[C@H]2CC(=O)NCC(F)(F)F)cc1=O 72475880 RFCZZTBVBFXCMU-GFCCVEGCSA-N 375.347 0.778 0 50 GCAA CN(CC(=O)N1CCOC[C@@](O)(CN2CCCC2)C1)Cc1ccccc1F 77437360 BFGJEDZRICUUHE-HXUWFJFHSA-N 379.476 0.943 0 50 GCAA CN(C)CC(=O)N1CCN(C(=O)OCC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 82098740 JEAYISJNWKFTFT-OLZOCXBDSA-N 375.491 0.041 0 50 GCAA O=C1CN(CC(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)C(=O)N1 95508407 YQDCIMUNFIPPCR-HNNXBMFYSA-N 382.424 0.584 0 50 GCAA CN1CC(=O)N2C[C@@H](NC(=O)Nc3cc(-c4ccccc4)nn3C)C[C@H]2C1=O 96132575 PPYLBKONVGMLRM-ZFWWWQNUSA-N 382.424 0.650 0 50 GCAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 130050248 SDRMPDVWCICMBL-UHFFFAOYSA-N 385.384 0.143 0 50 GCAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225706248 IPHAWXRXLSKQAZ-XYVMCAHJSA-N 388.420 0.938 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1nnc(N)s1 240163538 JBTCRHIETDOPBR-AWEZNQCLSA-N 388.497 0.478 0 50 GCAA O=C(NCc1cccc(-c2nnn[nH]2)c1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 244724618 MXKHNFXEHRQVIM-INIZCTEOSA-N 384.440 0.901 0 50 GCAA Cc1noc(C)c1CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 952971296 IMPFGBSDZKKUBP-CQSZACIVSA-N 395.485 0.785 0 50 GCAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cc(=O)n(C)c(=O)n2C)n1 952974407 BNYCTWGKSXPEDY-VIFPVBQESA-N 387.362 0.674 0 50 GCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1cc(=O)n3cccc(O)c3n1)C2 1073376482 BHZYLEXHZAGBGC-JSGCOSHPSA-N 378.454 0.256 0 50 GCAA Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)c2nsnc2C)cc1 1772805292 JGOIHMWCORIHKH-OLZOCXBDSA-N 394.478 0.480 0 50 GCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CNC(=O)c2ccccc2)CC1 1857715563 XSRWQJMKADJNMI-UHFFFAOYSA-N 381.436 0.831 0 50 GCAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857721476 QLFXFJVFAWHJJL-PMPSAXMXSA-N 388.472 0.014 0 50 GCAA CO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1 1875259610 IXOWROONHICDPC-NWDGAFQWSA-N 390.845 0.602 0 50 GCAA CC1(C)[C@@H](CN)C[C@@H](C(=O)NCc2nc(O)c3ccccc3n2)S1(=O)=O 1875359390 BPEMCJMADISNKA-MFKMUULPSA-N 378.454 0.492 0 50 GCAA Cn1c(=O)c2cc(C(=O)NC[C@@H]3CCCO3)n(Cc3ccco3)c2n(C)c1=O 11844869 SYEJFIIYLGGGMZ-LBPRGKRZSA-N 386.408 0.589 0 50 GCAA COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NC[C@@H]2CCCO2)=C1 20220007 PGJPVRLDUWNRRX-LBPRGKRZSA-N 379.438 0.854 0 50 GCAA O=C(NCCCn1cncn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 31443483 JAUCRNDXDHLAIX-UHFFFAOYSA-N 379.442 0.119 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCc3n[nH]cc3C2)c1 72150809 UCIOYXNQMVEYRX-GOSISDBHSA-N 383.452 0.694 0 50 GCAA CC(=O)c1[nH]c(C)c(C(=O)N2CCNC[C@@H]2C(=O)N2CCN(C)CC2)c1C 72168323 XVHQNQLIQGMJFZ-OAHLLOKOSA-N 375.473 0.022 0 50 GCAA CCC(=O)N1CCN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 72454613 QVRJVVIYHFPWOY-SJORKVTESA-N 394.493 0.929 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC(O)CC3)[C@H]4C2=O)c1 77376893 ZZLMBBOQSVMEKL-WEMPKCCASA-N 398.459 0.961 0 50 GCAA CCc1nc(C)ccc1OCC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)O 95368090 QRDDXWWBSXPHRF-CYBMUJFWSA-N 375.425 0.913 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cn(C)nc1C)CC2 95521885 WZTLECQNFZCISO-UHFFFAOYSA-N 386.456 0.614 0 50 GCAA CN(C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 131065679 GZBDNAOIQZVUBA-GOSISDBHSA-N 386.496 0.453 0 50 GCAA CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCCNCC2)c1 237426539 PIRUOJPDRDNRLH-UHFFFAOYSA-N 397.316 0.837 0 50 GCAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1cnc2nc(O)nc(O)c2c1 275243291 FQAORAPDNAACHZ-SECBINFHSA-N 376.398 0.173 0 50 GCAA O=C(CN1CCN(c2nccc(N[C@H]3CCCOC3)n2)CC1)N1CCCCC1 435343622 OYIHQYARTQPCPE-KRWDZBQOSA-N 388.516 1.202 0 50 GCAA CN1CC(=O)N2C[C@@H](NC(=O)N3CCC(CCn4cccn4)CC3)C[C@H]2C1=O 584891453 UCOUIYCYEHREKA-HOTGVXAUSA-N 388.472 0.136 0 50 GCAA CCOCCO[C@H]1CCN(c2ncnc3c2ncn3C[C@@H](O)[C@@H]2CCCO2)C1 888097197 DMUSGHVYVRREIE-XHSDSOJGSA-N 391.472 0.998 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(=O)c2ccccc2o1 1704297588 UAUNBORGRYNFCV-AAEUAGOBSA-N 380.422 0.429 0 50 GCAA O=S(=O)(c1cn[nH]c1)N1CC[C@]2(C1)Cn1c(nnc1-c1cccnc1)CO2 1772710445 WEJDQFQYOIJIMB-INIZCTEOSA-N 387.425 0.427 0 50 GCAA COCCN1CCC(C(=O)N2CCCN(CC(=O)N3CCCCC3)CC2)CC1 1772808209 IWXCLDTVUZMYIZ-UHFFFAOYSA-N 394.560 0.892 0 50 GCAA COCCNC(=O)[C@@]12CCCN(C(=O)c3nn(C)cc3Cl)[C@H]1CN(C)CC2 1775981420 SYZQHVZVODQFSX-KBXCAEBGSA-N 397.907 0.763 0 50 GCAA COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857722279 FSRUUWDHUKMXDR-PBHICJAKSA-N 380.422 0.585 0 50 GCAA Cc1cc(CC(=O)N2CC[C@H]([C@@H]3CCCN(C(=O)Cn4cncn4)C3)C2)n[nH]1 1875321944 CBXONHOUVNTLMZ-CVEARBPZSA-N 385.472 0.639 0 50 GCAA COC(=O)[C@@]1(C)CCCN1C(=O)CC(C)(C)n1cc(CNC(=O)N(C)C)nn1 1875357420 GTGWHYGOWBKJBG-GOSISDBHSA-N 394.476 0.729 0 50 GCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc(-c3cc[nH]n3)o1)C2 1940195494 TZZDYZUZIMMTKS-NEPJUHHUSA-N 396.425 0.076 0 50 GCAA CN([C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 2356146875 YIZNVVWIZZKJAP-XQQFMLRXSA-N 386.495 0.625 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCCO2)c1OC 12471918 QXXLPCSIBLXFCG-HNNXBMFYSA-N 377.441 0.948 0 50 GCAA O=C(CN1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1)Nc1ccccc1 65394816 QSQIAOFIORFZOW-QGZVFWFLSA-N 382.468 0.808 0 50 GCAA Cc1nc(-c2cccc(S(=O)(=O)N3C[C@@H](N)C[C@H]3C(=O)NC(C)C)c2)no1 67643346 RRSXWHKYABCPOZ-ZFWWWQNUSA-N 393.469 0.660 0 50 GCAA CS(=O)(=O)CCNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67840292 HWNNGTGBPFRLBV-INIZCTEOSA-N 376.425 0.453 0 50 GCAA Cc1occc1C(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72479287 SYFZEOOCEDXYQY-JKSUJKDBSA-N 389.433 0.747 0 50 GCAA COCCN1CCN(C(=O)c2ccc3c(c2)CCC3)[C@H]2CS(=O)(=O)C[C@H]21 91693737 OYLGVPVCMNCPQC-MSOLQXFVSA-N 378.494 0.745 0 50 GCAA CCn1c(C)ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1=O 95374058 WXIYESINZXSWHS-LSDHHAIUSA-N 396.513 0.519 0 50 GCAA Cc1ccn2c(C(=O)N3C[C@H](CO)[C@H](CN4CCN(C)CC4)C3)c(C)nc2c1 95380259 AFXBNKAFLFRJQB-QZTJIDSGSA-N 385.512 0.879 0 50 GCAA Cn1c(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc(=O)n(C)c1=O 95513185 AQTLNAHJNPBZFC-UHFFFAOYSA-N 386.456 0.422 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1C(=O)c1ccc(F)cc1C 96140483 RWISCBSSDGWEOT-ZBFHGGJFSA-N 379.432 0.694 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCN3)c2)no1 215686724 GPMUZYVATDJBJX-ZDUSSCGKSA-N 379.442 0.338 0 50 GCAA O=C(CN1CCN(C(=O)[C@H]2CCc3[nH]ncc3C2)CC1)NCc1ccccc1 270162093 UKPKKTCOTDMIGA-KRWDZBQOSA-N 381.480 0.975 0 50 GCAA Cn1c(CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)cc(=O)n(C)c1=O 281937912 DVBDIWBKENXCOS-HNNXBMFYSA-N 383.408 0.708 0 50 GCAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)cc1 289625376 KEIHQCSIQAHHBK-CQSZACIVSA-N 377.470 0.954 0 50 GCAA O=S(=O)(c1cccc2c1OCCO2)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299773830 GFIDQJCTABYSBE-JSGCOSHPSA-N 378.410 0.584 0 50 GCAA CCn1nc(C)c(S(=O)(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1C 370309988 OKEVNUIVVVSCRR-INIZCTEOSA-N 383.474 0.519 0 50 GCAA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)CSCc2cccnc2)C1 435043529 QIUPRAVYEFTMGK-HNNXBMFYSA-N 388.497 1.126 0 50 GCAA C[C@H]1CN(C(=O)CN2CCC[C@H](CNC(=O)CCn3cnnc3)C2)C[C@@H](C)O1 827822392 KWPDVJLWFOTENC-IXDOHACOSA-N 392.504 0.132 0 50 GCAA OCCO[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)C1 888097495 JRNOEGRPMLRXCA-OWCLPIDISA-N 391.472 0.449 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1Cl 1704329292 PJZPOKCNSYUMQK-JSGCOSHPSA-N 396.918 0.666 0 50 GCAA COc1cc(N2CCCN(C(=O)c3cnc4ccccn4c3=O)CC2)nc(N)n1 1772810714 OTPDDOYZBCVHNB-UHFFFAOYSA-N 395.423 0.428 0 50 GCAA CN1C(=O)NCC12CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C2 1857670390 LSNWAOKABGWQIF-CQSZACIVSA-N 396.444 0.215 0 50 GCAA Cc1cccc(C(=O)N[C@@H]2CN(Cc3cc(=O)n4ccsc4n3)CC[C@H]2O)n1 1857672476 CXLVBFLWAOPLRC-HZPDHXFCSA-N 399.476 0.825 0 50 GCAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3ccc(F)c(F)c3)[C@H]3CC[C@]2(C1)O3 1857738867 BVBMYQVXTURVDX-HAELCTKSSA-N 379.407 0.920 0 50 GCAA CCCn1cc(C(=O)N[C@H]2C[C@H](C(=O)NCCc3cnc[nH]3)C[C@@H]2O)c(C)n1 1875251417 HXOOWQMGGURDPT-JQFCIGGWSA-N 388.472 0.553 0 50 GCAA O=C(CN1CCOCC1)N[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2F)C[C@H]1O 2100482459 AQJSFGKPALWGSW-IAOVAPTHSA-N 397.422 0.169 0 50 GCAA CC(C)=C(F)C(=O)N1C[C@@H](O)C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325878176 HBGDGZJUDUJWHT-STQMWFEESA-N 388.461 0.153 0 50 GCAA O=C(O)COCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 17078211 UPWZJWGZKVLEJB-UHFFFAOYSA-N 382.847 0.336 0 50 GCAA O=C(NCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 20661102 XOCPNPZROASBCW-HNNXBMFYSA-N 399.488 0.675 0 50 GCAA Cc1cc(C)n2nc(CC(=O)N3CCn4nc(C(=O)NC5CC5)cc4C3)nc2n1 65382746 BGQCCRGFLCFGAJ-UHFFFAOYSA-N 394.439 0.415 0 50 GCAA CC(=O)NCC(=O)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 71762112 AGLSJLXWBATGFD-QZTJIDSGSA-N 378.448 0.046 0 50 GCAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)N(CCO)Cc1cnn(C)c1 72429625 UVTLLRQJUJUKAZ-SFHVURJKSA-N 377.533 0.937 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 97823296 YEGDGPFHDBJMGS-INIZCTEOSA-N 378.454 0.322 0 50 GCAA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)Cn1cnc2ccccc2c1=O 114411685 PNPQUTKTVWLCOI-UHFFFAOYSA-N 378.392 0.666 0 50 GCAA NC1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCC1 170673716 UTWARFHUGDFJCG-UHFFFAOYSA-N 377.470 0.667 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)COc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 212982206 KQRJLEWTSYGRDA-CVEARBPZSA-N 380.466 0.558 0 50 GCAA C[C@@H]1CN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)C[C@@]2(CCO[C@@H]2C)O1 888097916 SYVRYSVAFSIGMV-TWKYDXJASA-N 389.456 0.750 0 50 GCAA O=C(N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1)C1(O)CNC1 952893171 GNMCXDXMMYBKGS-CQSZACIVSA-N 383.330 0.498 0 50 GCAA CC[C@H](O)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C 1338579271 LMFAENKFXFWRGJ-AWEZNQCLSA-N 383.449 0.909 0 50 GCAA Cc1ccc2cc1OCCn1cc(nn1)CCC(=O)NC[C@H]1CN(CCO1)C2=O 1704327267 QQPIMHPEWKUYNW-KRWDZBQOSA-N 399.451 0.569 0 50 GCAA CN(C)c1nc2c(c(=N[C@@H]3CC[C@H](O)C3)[nH]1)CCC21CCN(CC(=O)O)CC1 1857689593 HMFKVFPWSXOKDD-KGLIPLIRSA-N 389.500 0.654 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(=N)[nH][nH]3)CC(=O)N2[C@H]1c1ccccc1 1857730851 ZWEJDVRYANMIBR-DCGLDWPTSA-N 383.408 0.409 0 50 GCAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc(S(C)(=O)=O)cc3)[C@@H]2C1 1875248407 OTLOHBOYGPJBSG-NUEKZKHPSA-N 380.466 0.846 0 50 GCAA O=C(CN1CC[C@@H]2NCC(=O)N[C@@H]2C1)NCc1ccc(F)cc1C(F)(F)F 1875283790 APAATKINBJISTI-UONOGXRCSA-N 388.365 0.623 0 50 GCAA CCC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC[C@H]1C 1875357922 BRANTHIVVDVBFN-MBEZOWKRSA-N 380.489 0.156 0 50 GCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC(O)(c3cscc3C(=O)OC)C2)C1 1875387239 WRUGNIWIXPUODW-GFCCVEGCSA-N 378.450 0.989 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N2CCO[C@H](c3nnn(C)n3)C2)n1 2100542623 BADKZZLUGOMRBM-AWEZNQCLSA-N 399.411 0.801 0 50 GCAA Cc1cc(C(=O)N2CCC[C@]23CCCN(C)C3=O)c2c(O)nc(=O)n(C)c2n1 2356139280 VAEOJSLYCJLIAI-IBGZPJMESA-N 385.424 0.570 0 50 GCAA O=C(NCCO)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1 14542484 MYILJTQXUISUSK-WOJBJXKFSA-N 375.513 0.608 0 50 GCAA COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 20451577 DPEXTUBATFGRLR-QGZVFWFLSA-N 379.457 0.547 0 50 GCAA Cn1cnnc1CCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71498832 QHAIHOSNCQNKKZ-MRXNPFEDSA-N 388.516 0.587 0 50 GCAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cnccn1)CC2 77377460 JFXYQORLULLJOJ-ZDUSSCGKSA-N 390.465 0.724 0 50 GCAA Cc1cn(CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c(=O)[nH]c1=O 82083131 GTUKBWPCMMKVDE-UHFFFAOYSA-N 376.800 0.374 0 50 GCAA Cc1nc(CCC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n[nH]1 95363430 QSDVFIIMIQCVDW-AWEZNQCLSA-N 383.460 0.825 0 50 GCAA CCN1CC[C@]2(CCC1=O)CN(C(=O)Cn1nc(C)c(C)cc1=O)CCN2C 95498954 SHIXLLYWSGJBAF-HXUWFJFHSA-N 389.500 0.405 0 50 GCAA COc1ccc(CN2CCN(C)C(=O)C2)c(OC[C@H](O)CN2CCCC2)c1 95501250 PBKGBYOKFIGTNS-QGZVFWFLSA-N 377.485 0.805 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[C@H](N)C1)CC2 95523333 MGGDSVVCFICBOR-CABCVRRESA-N 389.500 0.776 0 50 GCAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O 101905757 AYFDAONHPGGBAC-XUXIUFHCSA-N 398.504 0.907 0 50 GCAA CC(C)N1CCC(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CC1 114456682 AMCPYNWKECPGHW-UHFFFAOYSA-N 376.549 0.917 0 50 GCAA O=C(NCCCn1ccnn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 215384315 PMIGQHMREANZDX-UHFFFAOYSA-N 379.442 0.119 0 50 GCAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)C1 229805861 NXVUAHQGVJBXSZ-GJZGRUSLSA-N 395.481 0.671 0 50 GCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)c3cccnc23)O[C@H](CO)[C@@H](O)[C@H]1O 240707748 HQJWXXCVGAUCSJ-LMLQULGWSA-N 382.800 0.211 0 50 GCAA COc1ccc(CCNC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)cc1 242988720 HSRKONQWVHNCSX-UHFFFAOYSA-N 391.493 0.834 0 50 GCAA CN(CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)S(C)(=O)=O 328602779 CYDOXOMRPMQKKH-CXAGYDPISA-N 382.486 0.794 0 50 GCAA Cn1nc2c(cc1=O)CN(S(=O)(=O)c1cccc3c1OC(F)(F)O3)CC2 333177469 OZLYOKQUZKNNGW-UHFFFAOYSA-N 385.348 0.849 0 50 GCAA Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)n1 426386960 VAAISELKUYICPJ-CYBMUJFWSA-N 376.461 0.956 0 50 GCAA Cc1c(-c2cc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)on2)cnn1C 464573794 WRNNDXZUCFYDIS-UHFFFAOYSA-N 377.426 0.844 0 50 GCAA O=C(NCC1CCN(C(=O)[C@H]2CCOC2)CC1)c1cnc2ccccn2c1=O 952978502 AHEIMQPEBMWJPZ-HNNXBMFYSA-N 384.436 0.699 0 50 GCAA Cc1cnc(C(=O)NCC2CCN(C(=O)[C@H]3CCCCn4nnnc43)CC2)cn1 952978807 CDHSFNNVIQLWJM-HNNXBMFYSA-N 398.471 0.708 0 50 GCAA Cc1ncc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)s1 1565507540 PXIPZSKEBSOXRN-NEPJUHHUSA-N 379.467 0.370 0 50 GCAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(c3nccc(N)n3)CC2)[C@H]1O 1772704522 IXWGPJSCUAKVEH-DOTOQJQBSA-N 379.461 0.090 0 50 GCAA Cc1nsnc1C(=O)N1C[C@H]2CN(c3nccc(N)n3)C[C@@]2(CN(C)C)C1 1772805976 SEGNQZDFWSAWNW-YVEFUNNKSA-N 388.501 0.359 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cc4ccccc4n(C)c3=O)C2)cc[nH]1 1875397534 DAVZKRCMKSQECJ-AEFFLSMTSA-N 394.479 0.786 0 50 GCAA CCN(C)C(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3n[nH]c4c3COCC4)[C@@H]2C1 1940195432 CCHLSKMOYFCNCQ-APHBMKBZSA-N 376.457 0.970 0 50 GCAA Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1CC[C@@]2(CC(C(F)F)=NO2)C1 2325807275 NGCTXNGSURZPGM-QGZVFWFLSA-N 381.383 0.926 0 50 GCAA COCCN[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC 19821032 KYIWHODDQFKLHY-DOMZBBRYSA-N 377.484 0.179 0 50 GCAA CCN1CCN(C[C@H](O)COc2ccc(CNCCOC)cc2OC)CC1 20601728 ZAKHFJVBWYYOLB-SFHVURJKSA-N 381.517 0.808 0 50 GCAA Cn1ccnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 23311542 YGZWEHDMCRTNDB-HNNXBMFYSA-N 377.395 0.705 0 50 GCAA COCCc1noc(CN(C)Cc2nnc3n(C)c(=O)c4sccc4n23)n1 151160867 IAIOUFBRDGDQHH-UHFFFAOYSA-N 389.441 0.847 0 50 GCAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]12 215824518 PSRXBSFLDUWUDK-CABCVRRESA-N 387.827 0.457 0 50 GCAA CC(=O)N1CCC(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)CC1 222469142 CEWNIGYVJVBVOD-SFHVURJKSA-N 377.489 0.469 0 50 GCAA CC[C@@H]1[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)[C@@H]2CCO[C@@H]21 222907564 MPCZLPVVNUIXLW-BAESOJJISA-N 379.438 0.319 0 50 GCAA O=C(N[C@H]1C[C@@H](c2cc(N3CCOCC3)ncn2)C1)c1nc2ncccn2n1 252535844 HAJKZTCHBOFLCE-BETUJISGSA-N 380.412 0.427 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)Nc3cc([C@H]4CCCOC4)nn3C)C2=O)cn1 280296100 WRTJCLZUWDDFRK-GXTWGEPZSA-N 387.444 0.975 0 50 GCAA CCS(=O)(=O)NCCN1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 328641103 QIEZZKVWKDJOHE-OAHLLOKOSA-N 385.534 0.361 0 50 GCAA O=C1NC[C@@H]2CN(Cc3nc4ccc(Br)cc4o3)CCN2C1=O 329803085 JOIAIGRIPSPERB-SNVBAGLBSA-N 379.214 0.733 0 50 GCAA O=C(CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1)NC1CC1 363213360 RQBKKJJQBIBJEY-IBGZPJMESA-N 398.507 0.643 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)c2ccc(OC[C@H]3C[N@@]3CC3CC3)cc2)CC1 1875385121 NBKXJNZSFWIUJZ-DYESRHJHSA-N 393.509 0.877 0 50 GCAA O=C(Cn1ccc2ccccc21)N[C@@H]1C[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1O 1940196287 YKKONKVCQHAGSG-SQWLQELKSA-N 382.424 0.332 0 50 GCAA COc1ccc(S(=O)(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c2c1CCCC2 2100545713 ZOSYPARONSNPAD-CQSZACIVSA-N 379.442 0.849 0 50 GCAA N[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@@H]1n1ccnn1 2325759864 AGPUJWBKURQQGQ-NEPJUHHUSA-N 390.238 0.753 0 50 GCAA CCc1nc(-n2cccc2)sc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC 2325798674 ODIDDXHVBDBNRJ-GFCCVEGCSA-N 376.438 0.952 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NCC4(C(=O)O)CC4)cccc3C2=O)C(=O)N1 2325897502 YFLWGHACXFEVGY-ZDUSSCGKSA-N 385.376 0.042 0 50 GCAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCC(C)(C)CO)c1 12705467 HCOIRGSKGPSTMJ-GOSISDBHSA-N 396.528 1.000 0 50 GCAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1 20500514 VGDCJCZDOHZGOC-INIZCTEOSA-N 399.513 0.443 0 50 GCAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71738614 BCZGLYAJQBSIAT-KRWDZBQOSA-N 391.431 0.992 0 50 GCAA O=C(Cn1cncn1)N[C@H]1CC[C@H]1NC1CCN(C(=O)c2ccccc2)CC1 72157474 ADZRCEPGNJCFDS-MSOLQXFVSA-N 382.468 0.820 0 50 GCAA O=C1NCCN1CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 95352816 KFPNTCOPKPYMDO-UHFFFAOYSA-N 380.470 0.616 0 50 GCAA COc1cc(CN2CCN(C(N)=O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 95516457 DZQHFDJKYABVBS-KRWDZBQOSA-N 394.516 0.971 0 50 GCAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)CC(=O)NC)c2)CC1 95521952 JWDGSIXXTOHVOV-GOSISDBHSA-N 378.517 0.242 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCN(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 95531333 SMAWMIOYLAKCEM-KGLIPLIRSA-N 391.515 0.419 0 50 GCAA O=C(NCc1cc(-c2ccco2)on1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 96165704 QJQZUJAEYBNOCH-KGLIPLIRSA-N 388.424 0.635 0 50 GCAA CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 149645112 LGWACEZVCMBSKW-UHFFFAOYSA-N 382.428 0.967 0 50 GCAA in-vitro CC(C)c1cc(C(=O)N2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)on1 219886230 OVKZEAIMDQOYCQ-OLZOCXBDSA-N 384.458 0.403 0 50 GCAA CCc1nnc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1CC 365408783 ZLQQRWJULSVXHL-UHFFFAOYSA-N 383.518 1.382 0 50 GCAA NS(=O)(=O)c1ccc(CCNc2nccc(N3CCC[C@@H](O)C3)n2)cc1 1529119076 BBXYSSVXLOZOCN-CQSZACIVSA-N 377.470 0.740 0 50 GCAA COc1ccc(Cl)cc1NC(=O)N(CCO)[C@H]1CS(=O)(=O)C[C@@H]1O 1565527253 GOHUMXYMVAERHM-RYUDHWBXSA-N 378.834 0.333 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCCn2cncn2)CC[C@@H]1NC(=O)CN(C)C 1875251475 NLGQFXZOMQPBPB-JYJNAYRXSA-N 380.493 0.036 0 50 GCAA NCCc1nc(C(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)cs1 1875266747 DFBVXGBVRKKSFS-DOMZBBRYSA-N 388.449 0.801 0 50 GCAA C[C@H](O)[C@@H](NC(=O)CN)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 1875345698 GKUWLVYHJIZQMD-ZUZCIYMTSA-N 396.900 0.947 0 50 GCAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnn(C)c2)CC1=O 2325819409 DGJLXZUPVQJJEV-GXTWGEPZSA-N 376.438 0.835 0 50 GCAA Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O 637483 QXIDLDIVSSZJRB-UHFFFAOYSA-N 387.465 0.644 0 50 GCAA CCOC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 802962 YMNLVERVXCHSCX-UHFFFAOYSA-N 380.422 0.633 0 50 GCAA CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC)CC3)nc21 1079681 GQQKICLSFCMGJR-UHFFFAOYSA-N 376.442 0.136 0 50 GCAA COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@]12C(=O)Nc1ccccc12 4405446 JSJQQTVPNWWWAY-IBGZPJMESA-N 388.376 0.714 0 50 GCAA biogenic CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCCOC)cc1 19820924 IOSPKQPMGXAJMR-JKSUJKDBSA-N 375.512 0.814 0 50 GCAA OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 31159448 RUOKEYJFAJITAG-CUYWLFDKSA-N 390.388 0.447 0 50 GCAA biogenic,in-vitro COc1ccccc1-c1ccc(=O)n(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 44900819 RJDATVXXSQPPCL-ZDUSSCGKSA-N 391.449 0.564 0 50 GCAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc1OC 72150919 DLAYWWDNXABOLU-OAHLLOKOSA-N 378.473 0.837 0 50 GCAA Cc1n[nH]c(SCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)n1 91547315 BSVBCGXVUOVLDB-UHFFFAOYSA-N 378.462 0.215 0 50 GCAA CCN(C)S(=O)(=O)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 91656504 VGFWUSHGXJFYNG-MRXNPFEDSA-N 383.518 0.849 0 50 GCAA Cn1ncc(N2CCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)cc1=O 95355627 RSTAQMYZABDOEY-UHFFFAOYSA-N 377.408 0.595 0 50 GCAA COCC(=O)N1CC[C@@H]2N(C(=O)c3n[nH]c4c3CCC4)CCC[C@@]2(CO)C1 215284363 ZYVQRVUYABSYPW-KXBFYZLASA-N 376.457 0.360 0 50 GCAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(CCOCc1ccccc1)C2 220336426 AZLYCZWVGFAZCQ-GOSISDBHSA-N 379.482 0.994 0 50 GCAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 261810825 WVANYKHSCXDSIT-HNNXBMFYSA-N 382.424 0.259 0 50 GCAA O=C(Cn1cnc2cnccc2c1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 329319316 IOFWCBCZXHGWIK-CQSZACIVSA-N 390.465 0.750 0 50 GCAA CN1CC[C@@H](NC(=O)N2CCN(S(N)(=O)=O)CC2)[C@@H](Cc2ccccc2)C1 426575141 QZENJFXUOWEHCC-DLBZAZTESA-N 395.529 0.080 0 50 GCAA C[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 780126268 PEPRQYHVEOEYCI-HOCLYGCPSA-N 398.481 0.439 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1O 1529184678 CSLNCVQJDWJPBI-HOCLYGCPSA-N 382.461 0.900 0 50 GCAA Cc1ncc(CO)c(CN2CCCN(C(=O)CCCn3cncn3)CC2)c1O 1775980993 FTUOULXSTKWGDO-UHFFFAOYSA-N 388.472 0.694 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NC3(C(N)=O)CCCC3)CC2=O)s1 1857715874 MJTVLIVEPBTVPO-JTQLQIEISA-N 381.458 0.342 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)NCc3[nH]nc4ncccc34)CC2=O)s1 1857738440 HTEFHQLFQBFJSZ-VIFPVBQESA-N 387.425 0.625 0 50 GCAA COc1cc(C(=O)N[C@H]2CC[C@H](C(=O)N3CCOCC3)C[C@@H]2OC)ccn1 1875243224 XEKQLIVOAONDFU-JYJNAYRXSA-N 377.441 0.863 0 50 GCAA O=C(CCc1nc(O)n[nH]1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 1940195901 VHLXRUQAYFLSPI-JMARDNNUSA-N 382.468 0.127 0 50 GCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940198360 JANDVRXQTVCUFY-ZBFHGGJFSA-N 395.463 0.773 0 50 GCAA CN1CCN(C2(C(=O)N[C@@H]3CCN(C(=O)c4ccccn4)C3)CCCC2)CC1 2325733634 FCVFLKOCVQPHCR-QGZVFWFLSA-N 385.512 0.973 0 50 GCAA Cn1ccc(N2CC[C@H](N=c3nc[nH]n4cc(Br)cc34)C2=O)n1 2325802083 GMNJXGXKPMJYGB-JTQLQIEISA-N 376.218 0.865 0 50 GCAA O=C1CC[C@@H](N2C(=O)C=C(N3CC[C@@H](OCc4ccccc4)C3)C2=O)C(=O)N1 2325900256 RCIBMVJGYCPQBU-HUUCEWRRSA-N 383.404 0.335 0 50 GCAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCN(CCn4cncn4)CC3)cn12 2356150119 MUUYATGUTWFBKH-KRWDZBQOSA-N 398.471 0.468 0 50 GCAA O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccncc1 4171722 BTZSASONLOUMTO-UHFFFAOYSA-N 375.406 0.994 0 50 GCAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1OC 20452099 GJOSWDOMARBZAF-UHFFFAOYSA-N 385.486 0.838 0 50 GCAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 67871838 VEEUTVQZTQOGSK-GFCCVEGCSA-N 399.517 0.969 0 50 GCAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 71746551 SBHUVDPSNNGQRN-CQSZACIVSA-N 397.483 0.720 0 50 GCAA O=C(C[C@@H]1COCCN1S(=O)(=O)c1ccccc1F)NCCn1cccn1 72420211 FMELPFXSGPWUBM-CQSZACIVSA-N 396.444 0.618 0 50 GCAA CCN1CCN(CCc2noc(CCn3c(C)csc3=O)n2)C(=O)C1=O 225605920 DHBWHGSWHUHMSU-UHFFFAOYSA-N 379.442 0.077 0 50 GCAA Cc1ccc(CNC(=O)C2CCN(C(=O)CN3CCOCC3=O)CC2)cc1F 225730853 IUBUBWINLCVKRZ-UHFFFAOYSA-N 391.443 0.848 0 50 GCAA CN(C)C(=O)CN1CCN(CCCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247962618 FSIFIHIZOVBFFG-MSOLQXFVSA-N 379.526 0.491 0 50 GCAA CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1 283599528 LBWWROOTTQCPAV-OAHLLOKOSA-N 379.482 0.845 0 50 GCAA Cc1cc(N2CCC[C@@H](NC(=O)N3CCOC[C@H]3c3ncnn3C)C2)n(C)n1 288476792 NBGYDDMGJJOSLN-CABCVRRESA-N 388.476 0.609 0 50 GCAA Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cnn1-c1ccc(=O)[nH]n1 299749191 JJXQJLQJHHKAHY-HNNXBMFYSA-N 379.376 0.916 0 50 GCAA C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 363530770 QYXIALNVIGGFIS-DGCLKSJQSA-N 382.438 0.569 0 50 GCAA COc1cccc(C(=O)NCC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 363685522 BANCXGUBIBKOKJ-LJQANCHMSA-N 388.424 0.262 0 50 GCAA Cc1ccc(OC2CCN(C(=O)N[C@H]3C[C@H]4C(=O)NCC(=O)N4C3)CC2)cc1 584894536 NZMQSCAORPUIRA-YOEHRIQHSA-N 386.452 0.647 0 50 GCAA O=C(CN1CCOCC1)NCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 827836858 NCPQISPNWDNKTC-GOSISDBHSA-N 389.496 0.987 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1O 1529181321 RHKQWVAFKUXEPB-QWRGUYRKSA-N 381.376 0.425 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1O 1529190164 FTJKBWYMIYMHGH-YOEHRIQHSA-N 382.461 0.696 0 50 GCAA O=C(CN1CCOC1=O)N1C[C@H]2CN(C3Cc4ccccc4C3)C[C@@]2(CO)C1 1772817007 ZYEITLPASAIVBC-UTKZUKDTSA-N 385.464 0.359 0 50 GCAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ncc(F)cc2F)ncn1 1857529392 ICRDKMGNWPXWHO-CHWSQXEVSA-N 392.410 0.976 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)c3cccc(-c4noc(C)n4)c3)CCO2)n1 1857713920 XLYWMRKTJUJFFD-HNNXBMFYSA-N 399.411 0.892 0 50 GCAA Cn1nc(C2CC2)cc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2ccncc2)C[C@H]1O 1875250180 DNABTZIDFMOLJX-YXJHDRRASA-N 383.452 0.878 0 50 GCAA CC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)c1cn(C)c(C)cc1=O)CCO2 2325785281 NTESDNMAHDKDDD-UHFFFAOYSA-N 395.481 0.713 0 50 GCAA CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C 27639108 DDAUKBBLCGQHIP-CAVDVMKYSA-N 382.453 0.551 0 50 GCAA biogenic,in-vitro COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2cncn2C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65384037 ZEXBDPZTYNYRAT-AXHMDWHKSA-N 382.420 0.450 0 50 GCAA CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3nn(C)c(=O)n3CC)C2)c1C 67975399 VJKSQYSZVSYLIA-CYBMUJFWSA-N 382.490 0.695 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1=O 72128817 APXKTDHDPAKWER-ZDUSSCGKSA-N 378.379 0.997 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c(C)n2)cc1C 72163224 MNSSXMAVDCDXQI-OAHLLOKOSA-N 386.456 0.437 0 50 GCAA CCn1ccnc1CN1CCN(Cc2nc[nH]c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 72429119 SHCTXPVQNGFQRL-CVEARBPZSA-N 378.502 0.418 0 50 GCAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](N)[C@@H](C)O)CC3)no1 77379627 JIBRIJBBWVXEII-BZNIZROVSA-N 394.453 0.377 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@](C)(N)c2ccccc2)CC1 195236122 XFIVBXZFZRJCEH-SFHVURJKSA-N 392.481 0.998 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(CCn3cnc4ccccc43)C[C@H]2C1 247512902 IVNCVVRJXXJGBO-YJBOKZPZSA-N 378.498 0.755 0 50 GCAA O=C(O)c1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cn1 299747371 CWJOHJCBAWIUPX-UHFFFAOYSA-N 379.380 0.718 0 50 GCAA O=C1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CN1c1ccccc1 299790938 CGQTVUFXTLJTGY-QGZVFWFLSA-N 392.525 0.998 0 50 GCAA Cn1cc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)n1 328786549 WSOQPRYAROHPAD-MRVPVSSYSA-N 375.394 0.542 0 50 GCAA CN1C(=O)CO[C@@H](C(=O)N2CCOC3(CCOCC3)CC2)[C@@H]1c1cnn(C)c1 373406439 QXIFGYMZTRZKFT-DLBZAZTESA-N 392.456 0.117 0 50 GCAA O=C(CCc1nc(-c2ccncc2)no1)NCc1nc(-c2cnccn2)n[nH]1 426492775 IQUIKHRNZRUWQB-UHFFFAOYSA-N 377.368 0.956 0 50 GCAA Cc1ccc(-c2noc(CCNC(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)n2)cc1 426738976 CWQKXARGZMURHE-ZDUSSCGKSA-N 396.407 0.318 0 50 GCAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1529118310 KGEKIDPYDCLLSR-OAHLLOKOSA-N 398.463 0.953 0 50 GCAA CN(C)C[C@]12CN(C(=O)CCc3ccccc3)C[C@H]1CN(C(=O)c1cnn[nH]1)C2 1772708920 GJSKYCMNIMTYDW-LAUBAEHRSA-N 396.495 0.900 0 50 GCAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCS(=O)(=O)CC1 1772805637 NKBNGHUNRDNCSI-LBPRGKRZSA-N 385.511 0.342 0 50 GCAA Cc1c(C(=O)N2CCCN(c3ccc(C(N)=O)cn3)CC2)cnc2ccnn12 1772810836 NZPJKKIYEBGZRC-UHFFFAOYSA-N 379.424 0.884 0 50 GCAA COC(=O)N1CCN(C(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)CC1 1772813891 ZUAYKQLASFOKPB-ZDUSSCGKSA-N 394.497 0.995 0 50 GCAA CN1C(=O)NCC12CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C2 1857670389 LSNWAOKABGWQIF-AWEZNQCLSA-N 396.444 0.215 0 50 GCAA COC1(C(=O)NCc2ccncc2)CCN(C(=O)c2c[nH]c(=N)nc2C)CC1 1857722998 SPQVMRTXSJNAJH-UHFFFAOYSA-N 384.440 0.530 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N3CCN(C4CCOCC4)CC3)CC2=O)s1 1857732234 IOQONOLUMAYBAT-CYBMUJFWSA-N 393.513 0.777 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCN3CCCCC3=O)CC2=O)s1 1857733688 UTEGIIBTZSGKII-LBPRGKRZSA-N 395.485 0.556 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](O)[C@H](N)C3)CC2)cc1 1857733936 GKTWPWZVFALUIO-USXIJHARSA-N 381.498 0.316 0 50 GCAA O=C1CCN(c2ccccc2C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)C(=O)N1 1857736904 QCMDCWXCJCJDLQ-KUHUBIRLSA-N 384.392 0.306 0 50 GCAA O=C(Cc1cc[nH]n1)N1C[C@@H]2CCCN(C(=O)c3cccc4nn[nH]c34)[C@@H]2C1 1875325711 UDLYTWYMQXNANZ-BLLLJJGKSA-N 379.424 0.987 0 50 GCAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C2)n1 2325759951 YGHCCCVUCPIBOP-MSOLQXFVSA-N 397.479 0.631 0 50 GCAA Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCc1ccnc(N2CCNCC2)c1 2325859914 PMGJNHWQLMNIPH-UHFFFAOYSA-N 393.451 0.931 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1cccc2ncnn12 2356143754 VTTPZLIOOATYMS-STQMWFEESA-N 399.432 0.683 0 50 GCAA Cc1ocnc1C(=O)N1C[C@H]2[C@H](C1)[C@H](O)[C@@H](O)[C@H](C)[C@@H]2C(=O)N1CCCCC1 2356143799 XCNHZVQSSLUXCH-UGTMAASWSA-N 391.468 0.671 0 50 GCAA Cn1ncc(N2CCN(C(=O)Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1=O 19536045 RBNLONGWYGXBRI-UHFFFAOYSA-N 383.408 0.003 0 50 GCAA O=C1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CCN1 55226336 GJXUYMXBKZGUDA-HNNXBMFYSA-N 382.486 0.178 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3nccc(OC)n3)CC2)C1 71777216 XVNBNVZAMACYDV-OAHLLOKOSA-N 377.489 0.929 0 50 GCAA CC(C)(C)c1cc(CN2CCN(Cc3c[nH]cn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n[nH]1 72407170 PIQCZVSWZFHWNW-JKSUJKDBSA-N 392.529 0.914 0 50 GCAA O=C(COc1ccc2nncn2n1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 82114361 GCHHUJZHGSAAHE-IBGZPJMESA-N 384.440 0.897 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccon2)CN1C1CCN(C(C)C)CC1 96135975 AEWAPYYBNFLWCC-YOEHRIQHSA-N 377.489 0.856 0 50 GCAA COCCn1ccc(C(=O)N2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 189802528 FQNMAGNVLYIYDE-UHFFFAOYSA-N 384.444 0.477 0 50 GCAA COc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)cc1OC 206241696 XEODYLQHAOBHIR-CYBMUJFWSA-N 377.397 0.373 0 50 GCAA Cc1ccccc1CCC(=O)N1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 216515535 QMTZAYBMIIKMDI-SJORKVTESA-N 393.509 0.919 0 50 GCAA CCn1c(CO)nnc1[C@H]1C[C@@H](NS(=O)(=O)c2cccc(C(=O)O)c2)C1 244673983 HZGAXTSDSJCYKY-TXEJJXNPSA-N 380.426 0.713 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(CCC(=O)Nc1nccs1)C2 244723475 MCGUNTZGGSWHSP-QWHCGFSZSA-N 379.486 0.483 0 50 GCAA O=C(Cc1cccnc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426656853 CZBXRJZLSAQNHB-IBGZPJMESA-N 386.496 0.985 0 50 GCAA CN(C)C(=O)CN1CCOC2(CCN(Cc3ccc(N(C)C)nc3)CC2)C1 823629684 HHMPPFBAEGDWMJ-UHFFFAOYSA-N 375.517 0.903 0 50 GCAA Cn1cccc1C(=O)C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 827608551 RZGXEMAFVIPMQA-BRFBUHTJSA-N 378.476 0.892 0 50 GCAA O=C(N[C@@H]1CCOC1)c1cc2c(s1)CCOC21CCN(C(=O)CO)CC1 1857685849 WZXOLWBZLUIXHN-GFCCVEGCSA-N 380.466 0.650 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3nn(C)c4ccccc34)C[C@H]2CO1 1857690262 YWCQBRNOTMKHRG-KKUMJFAQSA-N 385.468 0.623 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 1857712714 NMKIVAXKEWTIBB-HNNXBMFYSA-N 385.428 0.729 0 50 GCAA CN(CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc3cnccc3[nH]2)C1)C1CCC1 1875332115 MCMPCQAEKZXEEI-FQEVSTJZSA-N 385.468 0.740 0 50 GCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(=O)COC(F)(F)F)C2)n1 1875399235 SHUUGKHEXVQFEX-SNVBAGLBSA-N 375.351 0.684 0 50 GCAA Cc1nc(C(=O)N2CCN(C3CC3)C(=O)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875402712 KWOOGASQCLBANZ-MRXNPFEDSA-N 386.500 0.681 0 50 GCAA CS(=O)(=O)[C@@H]1C[C@@]1(CN)C(=O)N[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2 1875404421 IJQBTSOEOWCWMB-VDCDIQELSA-N 377.510 0.528 0 50 GCAA CN(C)C(=O)c1cccnc1S(=O)(=O)N1CC(O)(c2ccccc2F)C1 2325789146 WQUYNQUSPCWMGF-UHFFFAOYSA-N 379.413 0.815 0 50 GCAA Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 44698224 RKOLDNRCKIKANZ-UHFFFAOYSA-N 383.518 0.454 0 50 GCAA Cc1nn2cc(CNC(=O)C[C@H]3C(=O)NCCN3Cc3ccccn3)nc2s1 55154479 CKAXQQFMVJBWMG-HNNXBMFYSA-N 399.480 0.501 0 50 GCAA O=C(CN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1)NC1CC1 82091678 DEPJPJITQUZHBI-INIZCTEOSA-N 378.517 0.300 0 50 GCAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100556802 UNDMIJOXJYGGOU-AZHAFVHUSA-N 378.406 0.973 0 50 GCAA CCOCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 215451814 DDAWMCJFCAYPCP-DOTOQJQBSA-N 381.498 0.778 0 50 GCAA Cc1noc(C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccccc2)n1 277126711 IEQUDSYJXJWGMT-HNNXBMFYSA-N 378.454 0.508 0 50 GCAA Nc1nc(O)cc(N2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)n1 426388139 IUPMTGUMBSCCDK-UHFFFAOYSA-N 375.458 0.453 0 50 GCAA COc1cnc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)s1 864097100 KJICBXSBGHLXHX-UHFFFAOYSA-N 397.504 0.274 0 50 GCAA COC[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1506397685 XNTNKGXVQFRGDL-CQSZACIVSA-N 391.515 0.069 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@@H]1O 1615963548 GULMAJRLNQDENN-MSOLQXFVSA-N 378.498 0.616 0 50 GCAA COc1cc(CN2C[C@@H]3CN(C(=O)Cn4nc(C)cc4C)C[C@@]3(CO)C2)ccn1 1772810062 IFNNNLZRUDMOKT-WIYYLYMNSA-N 399.495 0.856 0 50 GCAA CN1CCn2nc(C(=O)N3CCc4nc[nH]c4[C@@H]3c3ccncc3)cc2C1=O 1857673165 NZOUHZJJMDPPJH-KRWDZBQOSA-N 377.408 0.875 0 50 GCAA O=C(c1cc[nH]n1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857726829 DWMHTHPYCNKAQA-LJQANCHMSA-N 384.440 0.862 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-n3cnnn3)cc2)[C@H]1c1cnn(C)c1 1857739538 VAJOBVILQOJLLG-ROUUACIJSA-N 396.455 0.540 0 50 GCAA COC(=O)c1nccc(N2CC[C@]3(CCN(C(=O)c4coc(C(N)=O)c4)C3)C2)n1 1875303243 GSCMMWJZYRSUCD-IBGZPJMESA-N 399.407 0.698 0 50 GCAA O=C1CC2(CN(C(=O)c3ccc(Br)c4cn[nH]c34)C2)[C@H](O)CN1 1875317468 YDPIPGXRQQVAHG-LLVKDONJSA-N 379.214 0.648 0 50 GCAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3[nH]ccc3c1)C2 1875395910 PGEJDFCVTUVFMF-CQSZACIVSA-N 375.450 0.885 0 50 GCAA CCCNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)CCc2c(C)nc3ncnn3c2C)C1 1940195707 GYZDEQMHJUVAGX-BPUTZDHNSA-N 388.472 0.456 0 50 GCAA Cc1cnc(CN(C)C(=O)[C@H]2CC[C@@H](NC(=O)c3ncccc3O)[C@H](O)C2)[nH]1 2100557665 YOOIMWKYQORODT-GZBFAFLISA-N 387.440 0.737 0 50 GCAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895861 LIINTBMBFDYSTA-VCTAVGKDSA-N 399.403 0.525 0 50 GCAA Cn1c(CO)nnc1C1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 2356167731 ADTNFEUDEOMCTN-MSOLQXFVSA-N 399.451 0.270 0 50 GCAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(C(=O)OC)cc1 2136635 FEMRNRZZFXQOSF-CYBMUJFWSA-N 387.344 0.786 0 50 GCAA biogenic CCN1CCN(Cc2cc(C(=O)N3CCN(c4ncccn4)CC3)no2)CC1 67473402 AENDIUQHQSGQGM-UHFFFAOYSA-N 385.472 0.565 0 50 GCAA O=C(c1cn(C[C@@H]2CCCNC2)nn1)N1CCN(CCc2ccncc2)CC1 67789676 DSARSQDGAMHFRJ-GOSISDBHSA-N 383.500 0.673 0 50 GCAA Cc1cnc(C(=O)N2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72453506 DNNILMASQDECQE-MSOLQXFVSA-N 386.477 0.909 0 50 GCAA CCCCC(=O)N1CCN(C(=O)c2oc(C)nc2C)[C@H]2CS(=O)(=O)C[C@H]21 82114845 PRDBACUXUBLUDT-KGLIPLIRSA-N 383.470 0.932 0 50 GCAA COc1cccc([C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]2N)c1 91624570 VKUSZAJMPVJSBL-SJORKVTESA-N 375.450 0.910 0 50 GCAA Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2ccc(CO)cc2)CC1 91756627 RNOCZTCXSXSLQN-UHFFFAOYSA-N 381.440 0.967 0 50 GCAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 96152891 XZZIAELZYHCXHG-UHFFFAOYSA-N 396.459 0.508 0 50 GCAA O=C(CN1CCC[C@H]1c1ccc(F)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 252452830 HEPNQLJBABSYJE-GJZGRUSLSA-N 383.445 0.976 0 50 GCAA Cc1ccccc1C(=O)NC1CCN(C(=O)Cn2nc3cnccn3c2=O)CC1 253393771 VJUDOMVUIFVKKW-UHFFFAOYSA-N 394.435 0.620 0 50 GCAA O=c1[nH]nnn1-c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1 282275500 VGXWEXAOKQDXOJ-UHFFFAOYSA-N 391.413 0.304 0 50 GCAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1cnn(Cc3ccccc3)c1)C2 328615560 AXALOBSYEMDCDH-UHFFFAOYSA-N 385.449 0.772 0 50 GCAA CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)c(F)c2)CC1=O 886066083 YNZBNPRQWQQBSR-CYBMUJFWSA-N 386.431 0.961 0 50 GCAA C[C@@H]1OCC[C@@]1(O)Cn1cnc2c(N3CCC[C@H]4C(=O)N(C)C[C@H]43)ncnc21 888096162 VNUZENFOZQMCOW-FGBSKUFISA-N 386.456 0.423 0 50 GCAA Cn1nccc1CCC(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857706023 GXPRTRPCLNKFHY-ZFWWWQNUSA-N 390.465 0.693 0 50 GCAA O=C(NC[C@H]1[C@H]2CN(C(CO)CO)C[C@]23CC[C@H]1O3)c1cncc(Cl)c1 1857736772 VCUBAYCTJLEHIC-BVIKNXMNSA-N 381.860 0.297 0 50 GCAA O=C(Cn1cnnn1)N[C@H]1CC[C@H](C(=O)NCc2cccc3[nH]ccc23)C[C@@H]1O 1875245611 IBJFJQPXSZVREL-ZLIFDBKOSA-N 397.439 0.117 0 50 GCAA CC(C)n1ccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)CN2CCCNC2=O)n1 1875311776 AADLZEQCMLORBL-HNNXBMFYSA-N 390.488 0.942 0 50 GCAA C/C(=C\C(=O)N[C@@H](C)C1(O)CN(C(=O)CO[C@H]2CCOC2)C1)c1ccccc1 1875344177 GTQBRLAWDYXSEK-XVKGOSMNSA-N 388.464 0.973 0 50 GCAA COCC1(O)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1875403589 ZURKFJPOYVYSPN-MRXNPFEDSA-N 391.516 0.847 0 50 GCAA Cc1nn(C)cc1S(=O)(=O)Nc1cnn(C)c1C(=O)Nc1cnn(C)c1C 2804397 NFNVATSWEBLNMV-UHFFFAOYSA-N 392.445 0.557 0 50 GCAA CCOC(=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)c1cccc(N(CCO)CCO)c1 4719023 CKZSAKZEWIMIET-MSOLQXFVSA-N 396.440 0.150 0 50 GCAA CN1CCN(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 5065403 DMASGBIROBTPLB-UHFFFAOYSA-N 395.312 0.893 0 50 GCAA Cn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccc(F)cc2)n(C)c1=O 8701225 IFXQQKFVRBMUSB-UHFFFAOYSA-N 386.431 0.421 0 50 GCAA Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(F)(F)C3(O)CCC3)no2)cn1 378567051 MISCYTKFNVIELP-NSHDSACASA-N 383.355 0.920 0 50 GCAA CN(C(=O)NCCOc1cccc2cccnc12)[C@@H]1CS(=O)(=O)C[C@H]1O 534676316 VWOWPHLYJDQIFI-ZIAGYGMSSA-N 379.438 0.413 0 50 GCAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1n[nH]c2c1COCC2 828211461 GKXVEIRREMCRRV-BGWLNWIQSA-N 393.491 0.780 0 50 GCAA Cn1ncnc1CN1CCC[C@]2(CC(=O)NN2C(=O)Cc2cccc(F)c2)C1 888103491 JZRKOGPBVALSHT-IBGZPJMESA-N 386.431 0.795 0 50 GCAA CC(C)C1=NO[C@@H](C(=O)NCC2CCN(C(=O)C3=NNC(=O)CC3)CC2)C1 952872060 IQRMFBNBDMBGGH-OAHLLOKOSA-N 377.445 0.408 0 50 GCAA C[C@@H]1OCC[C@@]1(O)Cn1cnc2c(N(C)C[C@H]3CCS(=O)(=O)C3)ncnc21 952961741 RGMDBOUTCJLNGW-OGHNNQOOSA-N 395.485 0.237 0 50 GCAA Cc1nc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(Cc4cccnc4)C[C@@H]23)cs1 1857683713 WAHJPKJMCXTIRY-IMJJTQAJSA-N 392.506 0.874 0 50 GCAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CC[C@@H](NC(=O)CCc2ccnn2C)C1 1857692765 SVNRKPNKLVTYOC-CABCVRRESA-N 399.499 0.984 0 50 GCAA C=CC(=O)N(C)CC(=O)N1CCn2nc(C)c(I)c2C1 1875274728 VVEQTCZTYFVJAF-UHFFFAOYSA-N 388.209 0.783 0 50 GCAA C[C@@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1cccc(-n2ccnn2)c1 1875400069 QHGDPIOVKZKBMF-GDBMZVCRSA-N 395.467 0.594 0 50 GCAA CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 6726013 SIXSAKCZPHZYPL-UHFFFAOYSA-N 395.481 0.905 0 50 GCAA CC(=O)N1CCN(C(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)CC1 12003215 FOSGPHFMAIYCHE-UHFFFAOYSA-N 399.856 0.711 0 50 GCAA C[C@H]1C(=O)N(C)CCN1Cc1cn(CC2CCN(C(=O)c3ccc[nH]3)CC2)nn1 23581156 OHWUROSSQVXEBV-HNNXBMFYSA-N 399.499 0.821 0 50 GCAA Cc1cc(N2CCn3nc(CN4C[C@@H]5CCC[C@H](C4)C(=O)N5)cc3C2)nc(N)n1 72420360 PDPXCWGQEWRUNU-CABCVRRESA-N 396.499 0.684 0 50 GCAA CCCNC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 72422190 QQHCKWZFTJTNGF-ZDUSSCGKSA-N 384.454 0.764 0 50 GCAA O=C(C1CCC1)N1CCN(C(=O)Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72435067 BMIOGXMRSQAYNM-DLBZAZTESA-N 376.478 0.866 0 50 GCAA O=C(Cn1nc2ccccc2n1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91707438 BQVPQYWASORIEY-APWZRJJASA-N 387.484 0.753 0 50 GCAA CC(C)Cc1ccc(C(=O)N2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 95379487 WZYQEFFBZLGTBP-MSOLQXFVSA-N 380.510 0.801 0 50 GCAA CCN(C(=O)Nc1cc(OC)cc(-n2cnnn2)c1)[C@@H]1CCS(=O)(=O)C1 96135730 URTRTOXRHWEZTC-GFCCVEGCSA-N 380.430 0.712 0 50 GCAA CN(C)CCN1CCC(NC(=O)N2CCCN(c3cccnn3)CC2)CC1 119197641 ZIRGTLJLZVUZPJ-UHFFFAOYSA-N 375.521 0.724 0 50 GCAA CC[C@]1(O)CCN(C(=O)c2ccccc2N2CCS(=O)(=O)CC2)C[C@@H]1O 212971828 YYVJDRNIJFAQMO-WMZOPIPTSA-N 382.482 0.269 0 50 GCAA CC(C)[C@@H](C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)N1CCCC1=O 225523091 PBVIPIDOYATRQM-INIZCTEOSA-N 385.472 0.659 0 50 GCAA CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)C1 434881242 TVOFRYGKWQQCHW-JTQLQIEISA-N 386.499 0.747 0 50 GCAA Cn1cccc1C(=O)C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 827608554 RZGXEMAFVIPMQA-PWOUQQLPSA-N 378.476 0.892 0 50 GCAA Cn1ccnc1NC(=O)Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1 1529133843 KNOQPMPRYNHYRD-MRXNPFEDSA-N 382.428 0.467 0 50 GCAA CCCC[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H](C2CC2)O1 1615706488 NINUHEKCPFZKAN-KBPBESRZSA-N 385.486 0.442 0 50 GCAA COc1c(F)cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1F 1704338268 PVWMAIACTOBYBX-GXFFZTMASA-N 378.397 0.610 0 50 GCAA Cc1nn(CCO)cc1CN1C[C@@H]2CN(C(=O)CC3=CCCC3)C[C@]2(CO)C1 1772816314 NFYSXCWIAGBDNF-CTNGQTDRSA-N 388.512 0.937 0 50 GCAA CN1CCn2nc(-c3nc(CC(N)=O)nn3-c3ccc4c(c3)CCC4)cc2C1=O 1857676101 JTRGTMSYNXXAQQ-UHFFFAOYSA-N 391.435 0.733 0 50 GCAA Cc1cnc(CNC(=O)[C@@]23CCCN(S(C)(=O)=O)[C@H]2CN(C)CC3)cn1 1857687464 RZIUFCVFCPXTJV-DOTOQJQBSA-N 381.502 0.147 0 50 GCAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC 1857718434 UEURFLQYPMYEDW-LLVKDONJSA-N 389.437 0.666 0 50 GCAA 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CCOCCNC(=O)c1cc2c(s1)CCOC21CCN(C(=O)CO)CC1 1857692280 XIRALQWVEGUUTA-UHFFFAOYSA-N 382.482 0.897 0 50 GCAA O=C1N[C@@H]2COC[C@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 1875243233 XRYLDNMDYVVOCB-ZJUUUORDSA-N 380.344 0.721 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCO)C1 6701286 QQKAKXLUIHMEAO-NSHDSACASA-N 376.862 0.858 0 50 GCAA COC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1 15070788 RZBNGDCFPSGWBX-QGZVFWFLSA-N 391.443 0.928 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCC(N)CC3)C2=O)c1OC 67841783 MDROYSUYHNYFSG-FQEVSTJZSA-N 377.485 0.980 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cc(=O)[nH]cn1)CO2 71422110 MKFDVWGTPWKRDG-CQSZACIVSA-N 385.424 0.375 0 50 GCAA Cc1cc(=O)n(CC(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nc1C 91644957 FTVFNGIGESIMBH-MSOLQXFVSA-N 392.500 0.182 0 50 GCAA COc1ccc([C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95523055 OMQOMBBDPQFMLE-PWIZWCRZSA-N 398.463 0.636 0 50 GCAA CNc1ccnc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)n1 96133369 WRGOIXJOOIYAPP-UHFFFAOYSA-N 385.520 0.778 0 50 GCAA COc1cccc(/C=C(/C(=O)N2CCO[C@@H](CC(=O)O)C2)n2nnnc2C)c1 328595015 INSZYTINBRRAMU-HVVQPJKBSA-N 387.396 0.690 0 50 GCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)cc1 365842049 QGXOMQBEJRGQBN-LBPRGKRZSA-N 394.478 0.502 0 50 GCAA Cc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)o1 366863368 KDRFDFJPVZWLQG-IPLHWJFFSA-N 387.436 0.971 0 50 GCAA Cc1nnnn1[C@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)c1ccccc1 426674298 OYWRLCJVGCLOQG-HNNXBMFYSA-N 376.384 0.462 0 50 GCAA CS(=O)(=O)N(CC(=O)NCCN1CCCC[C@H]1CO)c1cccc(F)c1 670439043 SUHZXVHHXTWEHI-INIZCTEOSA-N 387.477 0.555 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@]2(C(=O)O)C1 1565527647 PXEIMVSBPWUKTQ-GUYCJALGSA-N 382.438 0.236 0 50 GCAA CCOC(=O)N1CCC(N2C[C@@H]3CN(C(=O)CSC)C[C@]3(CO)C2)CC1 1772819997 ZSEFMBMFSBYZNO-KDOFPFPSSA-N 385.530 0.723 0 50 GCAA O=C(N[C@H]1CC[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C1)c1cnc[nH]1 1857679423 LJNSQZWQHISTLW-NWDGAFQWSA-N 392.437 0.810 0 50 GCAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ncc[nH]1 1857683207 XTXONAJTOZZKQJ-MRXNPFEDSA-N 375.473 0.489 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(-c4cccs4)nn3C)C[C@@H]12 1857702812 DDQKWHDQBNSUNX-PEYYIBSZSA-N 394.522 0.948 0 50 GCAA CN(c1ccc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1)S(C)(=O)=O 1857716971 UBIJPXMDULCFKX-QAPCUYQASA-N 393.465 0.646 0 50 GCAA Cc1cc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc(S(N)(=O)=O)c1C 1857723496 IRTZWYYYTLVIKZ-QAPCUYQASA-N 393.465 0.514 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)CCn2ccc(O)nc2=O)[C@H]1c1ccccc1 1857725313 PTNXOPRJGBSNFO-LPHOPBHVSA-N 386.452 0.869 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCc3cncn3CC)CC2=O)s1 1857729947 KCFHCWZNBOYQMW-LLVKDONJSA-N 378.458 0.960 0 50 GCAA CCS(=O)(=O)N[C@@H]1CCCN(C(=O)N=c2ccn(C[C@H]3CCOC3)[nH]2)C1 1875260031 BMFCFCOBHNUNGX-ZIAGYGMSSA-N 385.490 0.277 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCc2ncnn2C)C[C@H]1NC(=O)NC(C)(C)C 2100473574 DXQWVKICIPQQBZ-BFHYXJOUSA-N 380.493 0.755 0 50 GCAA O=C1CO[C@H](C(=O)NC2CCN(c3cnccn3)CC2)[C@@H](c2ccccc2)N1 2356151205 XDNOXLOHHQPPSW-MOPGFXCFSA-N 381.436 0.818 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O 4249269 LARHZUYMNNDOBE-UHFFFAOYSA-N 375.429 0.613 0 50 GCAA COc1cccc(N2CCN(C(=O)Cn3nnnc3CN3CCCC3)CC2=O)c1 11661043 YQLSVSNXYYRWHH-UHFFFAOYSA-N 399.455 0.153 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCN(C)CC3)C2=O)c1OC 67788306 CSUAIORJGNQWRL-FQEVSTJZSA-N 377.485 0.805 0 50 GCAA CC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)CC1 77301789 BRWIIMYMDJEEBA-UGNRZPKXSA-N 396.447 0.054 0 50 GCAA Cc1nnc(SCC(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)o1 91746782 KZNROXKJGVASBJ-KRWDZBQOSA-N 384.502 0.792 0 50 GCAA COCCN1CCC[C@]2(CCN(Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O 95359201 RULRQRCZAUMPMG-HXUWFJFHSA-N 386.452 0.861 0 50 GCAA CCc1nc(C)c(CC(=O)N2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)c(=O)[nH]1 95367971 GWRMFKHYAOPXED-HIFRSBDPSA-N 378.473 0.827 0 50 GCAA Cc1cc(S(=O)(=O)N2CCC(CCC(=O)NCCN(C)C)CC2)n(C)n1 95501462 MLLKISVYAYUSAP-UHFFFAOYSA-N 385.534 0.587 0 50 GCAA O=C1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCN1 97610023 ADDKZAOMJMXTCS-AWEZNQCLSA-N 381.454 0.106 0 50 GCAA Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C2CC(O)C2)cn1 219731818 JNKIVWOENJMJLS-YUNLISADSA-N 379.438 0.982 0 50 GCAA CN(C)S(=O)(=O)CCCN1CCC(CNC(=O)[C@]2(C)CCCO2)CC1 827660266 GMMCUEUYYFLPQD-KRWDZBQOSA-N 375.535 0.665 0 50 GCAA CO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 863667104 LALJIWGXYMDHMW-IHRRRGAJSA-N 394.449 0.917 0 50 GCAA O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@]2(CCN(c3cnccn3)C2)C1 1857671741 NRZUTEFKYPFQHF-FQEVSTJZSA-N 395.419 0.892 0 50 GCAA COCCn1nc2c(c1C(=O)NCC1(O)CCN(C)CC1)C[C@H](C)O[C@@H]2C 1875314893 YNNOPQBAMLENSU-UONOGXRCSA-N 380.489 0.738 0 50 GCAA COC[C@H](Oc1cc(F)cc(F)c1)C(=O)N[C@@H]1COC[C@H]1N1CCOCC1 1875405896 QYXKAMLSEWFVNO-ZACQAIPSSA-N 386.395 0.574 0 50 GCAA O=C1CC2(CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C2)[C@H](O)CN1 2325765504 OFIBDNNADMFLMG-GFCCVEGCSA-N 385.342 0.145 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NCC4(C(=O)O)CC4)ccc3C2=O)C(=O)N1 2325895860 LGURCDGPTPPVMN-ZDUSSCGKSA-N 385.376 0.042 0 50 GCAA Cc1c(NC(=O)c2c(NS(=O)(=O)c3cnn(C)c3C)cnn2C)cnn1C 2804337 PMXGEUFSVKTWSF-UHFFFAOYSA-N 392.445 0.557 0 50 GCAA COc1cc2[nH]c(=O)c(CN3CC[C@H](CO)[C@H](O)C3)cc2c(OC)c1OC 72171404 VIGVSTXUMLCPJW-IAQYHMDHSA-N 378.425 0.729 0 50 GCAA Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2CC(=O)N2CCN(C)CC2)n1 72435389 SSDYCLAGUVAHBK-SFHVURJKSA-N 391.516 0.672 0 50 GCAA CS(=O)(=O)c1cnc(N2CCc3nc(N)sc3C2)nc1[C@@H]1CCCNC1 72463824 VWGYQPNBHWTVBP-SNVBAGLBSA-N 394.526 0.949 0 50 GCAA CNC(=O)c1ccc(CNC(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)o1 77407880 KUBIMRZXAOUTIH-UHFFFAOYSA-N 383.408 0.671 0 50 GCAA CC(C)[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 113080405 VEGGTWZUZGZKHY-CABCVRRESA-N 379.461 0.034 0 50 GCAA O=C(NCC1(N2CCCC2)CCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O 244701303 KDTQPEGWSVPPKZ-CQSZACIVSA-N 375.473 0.516 0 50 GCAA Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)c3nnnn3C)CC2)cc1F 252483231 DXTXSXTYMKISSC-GFCCVEGCSA-N 375.408 0.886 0 50 GCAA COc1ccc(C(=O)CCC(=O)NCCNS(=O)(=O)N(C)C)cc1F 288379622 ZHPYCVYSDQHEBW-UHFFFAOYSA-N 375.422 0.309 0 50 GCAA CC(C)n1c(CNC(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)nc2ccccc21 670471247 ZUHJNKGBYZDHDX-GOEBONIOSA-N 391.497 0.898 0 50 GCAA COCC(=O)N1CCC[C@@]2(C(=O)NCc3c(C)noc3C)CCN(C)C[C@H]12 1775979951 QIBLCJWCWLPSOS-QFBILLFUSA-N 378.473 0.867 0 50 GCAA CC(C)OCC(=O)NC[C@@]1(C)CN(c2nc(O)c3cnn(C)c3n2)CCO1 1775991669 LTBXRYUMUNHQGH-KRWDZBQOSA-N 378.433 0.205 0 50 GCAA CC(C)CCN1CCOC2(CCN(Cc3nc(C(N)=O)no3)CC2)CC1=O 1857693275 PMLQZCGZSFSVIJ-UHFFFAOYSA-N 379.461 0.798 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)N[C@H]4C[C@H](C(=O)O)C4)cccc3C2=O)C(=O)N1 2325896958 LDRSXRJMWPJIDZ-GPCCPHFNSA-N 385.376 0.041 0 50 GCAA COCCn1nnc([C@@H]2CN(Cc3cnc(N4CCCC4)s3)CCO2)n1 2356167425 OQLUUBAYTOHRTE-AWEZNQCLSA-N 379.490 0.950 0 50 GCAA O=C(Cn1cccnc1=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356170833 HYDSQBZJHSTWGC-HXUWFJFHSA-N 381.436 0.822 0 50 GCAA COc1ccc(OCc2nc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)co2)cc1 67688894 ZELOXGIGDWKSER-MRXNPFEDSA-N 386.408 0.518 0 50 GCAA COc1ccc(F)c(-c2nc(CN3CCN4C(=O)CNC(=O)[C@H]4C3)c(C)o2)c1 71776353 FFXSRRKBRIUWDE-MRXNPFEDSA-N 388.399 0.940 0 50 GCAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CNC(N)=O)C2)cc1OC 72150920 DLAYWWDNXABOLU-HNNXBMFYSA-N 378.473 0.837 0 50 GCAA CCCN1CCN(S(=O)(=O)c2cccc(OC)c2)[C@H]2CS(=O)(=O)C[C@H]21 72474856 KULGUTWKCFKRCA-CVEARBPZSA-N 388.511 0.577 0 50 GCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)Cn1cccn1)C2 77503581 KVIDPLAVSFORQA-UHFFFAOYSA-N 378.454 0.393 0 50 GCAA CC(C)c1noc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 77505579 LJNQPFBMNVKDNN-QWHCGFSZSA-N 378.458 0.471 0 50 GCAA CCCCN1C[C@@]2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O 91391113 AYNNEELLQOSDBU-LJQANCHMSA-N 376.457 0.568 0 50 GCAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 97568907 IYXJAMFXRSCLSI-UHFFFAOYSA-N 377.470 0.949 0 50 GCAA CC[C@]1(O)C(=O)N(c2cccc(C(=O)NCCc3nnc(N)s3)c2)N=C1C 220720131 WEJNGXFGPPZIIF-QGZVFWFLSA-N 388.453 0.956 0 50 GCAA CCc1nc(C)sc1CNC(=O)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 247959989 OFBWLBDKMUNOOX-KBPBESRZSA-N 380.514 0.715 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(Cc2ccc3ccccc3n2)CCO1 328605216 MMUPASPRVXVMRP-MRXNPFEDSA-N 393.465 0.782 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C(C)C)no3)C2)cc1 328609972 GGGRODFPLKWTIN-KRWDZBQOSA-N 394.453 0.835 0 50 GCAA CN1CCOC[C@H](CNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 584891614 OYCDKRUDPKBMNH-QGZVFWFLSA-N 390.484 0.821 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2ccccc2-n2ccnc2)[C@@H]3C1=O 670452803 IHSDNANBISFRJV-UGNRZPKXSA-N 395.463 0.453 0 50 GCAA COC(=O)c1cn([C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)cc2c(O)nnc1-2 888089981 SILGJRHTYIAZTP-RISCZKNCSA-N 390.377 0.690 0 50 GCAA CC(C)n1cnnc1CN1CCN(C(=O)C2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 1565513223 QDILSFCQOIEQDJ-CABCVRRESA-N 381.502 0.469 0 50 GCAA CCCNC(=O)[C@H]1C[C@H]2CN(C(=O)CCCn3cncn3)CC(=O)N2[C@H]1CC 1857719711 RZILFDQSFYPRES-JYJNAYRXSA-N 390.488 0.422 0 50 GCAA C[C@@H](Oc1ccc(Cl)cc1S(=O)(=O)N(C)C)C(=O)N1CCOCCN1 1875284306 QENDTQUFJVWNPU-LLVKDONJSA-N 391.877 0.721 0 50 GCAA CN1CCN(c2cccc(C(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)n2)CC1 1875401003 PVGNNMFCLVRNMI-KBAYOESNSA-N 384.484 0.599 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@@H]1NC(=O)c1cc(CC)no1 1940196380 HBQDRWDVOBAEPD-UBHSHLNASA-N 380.445 0.532 0 50 GCAA COc1ccc(C(=O)N2CCO[C@@H](c3nnn(C)n3)C2)cc1N1CCOCC1 2100543778 YPGBOTKELDZCEH-MRXNPFEDSA-N 388.428 0.269 0 50 GCAA CN(C)CC1(C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CC1 2325888018 NUZJCELCHLPKAC-HNNXBMFYSA-N 384.436 0.728 0 50 GCAA CCOC(=O)C1CN(C(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C1 2325895741 IKVMKHBWEGSRSC-HNNXBMFYSA-N 399.403 0.083 0 50 GCAA COCCN1CCC[C@]2(CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)C1=O 2356167163 UGQFPWQANHELFT-IBGZPJMESA-N 386.456 0.985 0 50 GCAA CC[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713896 FWGPTAGYFFBECJ-QGZVFWFLSA-N 383.514 0.988 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)NCCSc1cnn[nH]1 72164837 WDQUSPQCVHNIHN-CQSZACIVSA-N 380.518 0.784 0 50 GCAA CCCc1cc(CNC(=O)[C@H]2CC[C@@H](NC(=O)C3=NNC(=O)CC3)C2)on1 72447780 AZWDPFWIAJTCIB-NWDGAFQWSA-N 375.429 0.794 0 50 GCAA Cc1ccc(OC2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)nc1 180860815 ZYRMEYKAWIAYII-UHFFFAOYSA-N 382.424 0.903 0 50 GCAA COc1ccccc1[C@@H]1NC(=O)N(CC(=O)N2CCOCC2)C2=C1C(=O)OC2 263618024 QXCUXDATZYVFFL-KRWDZBQOSA-N 387.392 0.431 0 50 GCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(OCC(=O)O)cc2)C1 299747410 CXHCRSLPPSEYRS-CQSZACIVSA-N 384.454 0.480 0 50 GCAA Cc1nonc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299798918 TWVXDIWZURNSOZ-INIZCTEOSA-N 391.472 0.457 0 50 GCAA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 328640575 XMVFQPLLZWAAIF-CYBMUJFWSA-N 397.478 0.879 0 50 GCAA COc1ccc(-c2noc(CNC(=O)N3CCC[C@H]3C(N)=O)n2)cc1OC 426596504 NPYOYGSGYHMCMP-NSHDSACASA-N 375.385 0.913 0 50 GCAA O=C(Cn1nc2c(cc1=O)CCCC2)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088842 UIPJRKAYZWDYTM-QILLFSRXSA-N 384.480 0.982 0 50 GCAA CN(C)CC(=O)Nc1cccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 952981160 GTFRZZKKYCGBDX-OAHLLOKOSA-N 382.486 0.244 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)nc(N)n1 952986343 GXJNIDLEMCSYSE-OAHLLOKOSA-N 395.467 0.460 0 50 GCAA Cc1nnc(SCC(=O)N2CC[C@H](NC(=O)c3ccccc3)[C@@H](O)C2)o1 1565509369 LYTIRYQWDWUDOE-KBPBESRZSA-N 376.438 0.862 0 50 GCAA COC(=O)CCc1ccc(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857722701 LCBCETNLCJKCPL-QAPCUYQASA-N 394.449 0.514 0 50 GCAA CC[C@H]1[C@@H](C(=O)N(C)CC)C[C@H]2CN(C(=O)Cc3cc(C)no3)CC(=O)N21 1857730046 XGPKEAZPNXKGFO-BPUTZDHNSA-N 376.457 0.842 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCCN3CCCCC3=O)CC2=O)s1 1857733687 UTEGIIBTZSGKII-GFCCVEGCSA-N 395.485 0.556 0 50 GCAA CC(C)c1nccn1[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cnn2ccn(C)c12 1857734481 SZQPCMRHDYTGLD-UONOGXRCSA-N 390.469 0.761 0 50 GCAA O=C(c1nc2ncccn2n1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857737386 KFVIMQIWBUJYJY-HOTGVXAUSA-N 392.419 0.766 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCc2cc(O)ncn2)C[C@H]1NC(=O)c1ncoc1C 1875240540 ASUDKBMDDHUWTH-IACUBPJLSA-N 389.412 0.709 0 50 GCAA CN(C)CC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCO)C1 1875247250 HOUUFQMSQOZFHO-NRFANRHFSA-N 389.544 0.968 0 50 GCAA CNC(=O)c1cccc(C(=O)NC[C@@H]2C[C@H](OC)CN2c2cc(C)ncn2)n1 1875393077 FLJOOQMSANMYKM-KBPBESRZSA-N 384.440 0.563 0 50 GCAA NC(=O)[C@@H]1Cc2ccccc2N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1 2325730493 VNVSBVMMPMTFSH-SJORKVTESA-N 381.432 0.963 0 50 GCAA CCN1CCC[C@@H](N2CC(NC(=O)COc3cccc(C(=O)NC)c3)C2)C1=O 2325753891 YKOVJUXNSUDGSC-QGZVFWFLSA-N 388.468 0.236 0 50 GCAA Cc1cc([C@H](O)[C@H](C)NC(=O)[C@](C)(O)CN2C(=O)NC(C)(C)C2=O)ccc1F 2325861270 KUBGAGYYFPXPKO-GEDNVKPRSA-N 395.431 0.754 0 50 GCAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCOCC2)cc(OC)c1 12453798 YKFRQRLYJRRTTO-KRWDZBQOSA-N 377.441 0.253 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)NCCc1cccc(Cl)c1 19334596 VJGHZSTZMGDQEE-UHFFFAOYSA-N 378.864 0.908 0 50 GCAA Cc1cnc(C)c(N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1 23214697 QZNFGGAPLLITLW-INIZCTEOSA-N 384.488 0.533 0 50 GCAA CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCN 36424290 LRMUHZCCKYZFHS-UHFFFAOYSA-N 377.482 0.416 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCOCC2)c(C)c1C 72172690 RKPGWBINMNGXFV-KRWDZBQOSA-N 375.469 0.861 0 50 GCAA O=C(C1CCC1)N1CCN(C(=O)c2ccc(CO)o2)[C@H]2CS(=O)(=O)C[C@H]21 72434408 YZDFHMGSMAFIAN-KGLIPLIRSA-N 382.438 0.022 0 50 GCAA CCS(=O)(=O)N1CCc2cc(S(=O)(=O)NCC[C@H](C)O)ccc2C1 77357021 QCHPKEYNGYARBE-LBPRGKRZSA-N 376.500 0.444 0 50 GCAA Cc1nn(-c2ccccc2Cl)c(=O)n1CC(=O)N[C@@H]1C=CS(=O)(=O)C1 77455803 OOTGRHWLORSQKE-LLVKDONJSA-N 382.829 0.423 0 50 GCAA O=C(/C=C/c1ccccc1)N1CCN(Cc2c[nH]cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 82138807 UHKGMHJPDAMPNX-IBQUMJASSA-N 386.477 0.933 0 50 GCAA O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1 91650012 FUCJAVRJGVVICB-QZTJIDSGSA-N 389.477 0.270 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)NC2CCOCC2)c1 95356431 QURVVBZEWALXNS-UHFFFAOYSA-N 378.454 0.770 0 50 GCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(S(N)(=O)=O)ccc2F)on1 95359991 FBFKAKDYQRHMEA-BMIGLBTASA-N 383.401 0.757 0 50 GCAA Cc1cnccc1N1CCCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1 95517265 OXZCSWSFXBPSKU-UHFFFAOYSA-N 386.504 0.956 0 50 GCAA CC[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 170591125 VSTLYKOLOMFVNI-KBMXLJTQSA-N 399.465 0.922 0 50 GCAA CN(C)S(=O)(=O)c1cc(C(=O)N2CC(C)(O)C2)ccc1Br 170614775 XBZPLFQQIRXHPZ-UHFFFAOYSA-N 377.260 0.906 0 50 GCAA CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCO[C@H](C(=O)O)C1 299753469 YHZWQGIOUUOYNH-HOTGVXAUSA-N 377.372 0.666 0 50 GCAA Cc1cc(N2CCC[C@@H](N(CCOCC3CC3)S(C)(=O)=O)C2=O)n(C)n1 328610818 JEWLHKUQPKVXDX-OAHLLOKOSA-N 384.502 0.912 0 50 GCAA CCc1noc(CN([C@H]2CCCN(c3cc(C)nn3C)C2=O)S(C)(=O)=O)n1 328613196 RFGMXXSTUBALQX-LBPRGKRZSA-N 396.473 0.631 0 50 GCAA C[C@H]1OCC[C@@]1(O)Cn1cnc2c(N3CCC[C@H]4C(=O)N(C)C[C@H]43)ncnc21 888096165 VNUZENFOZQMCOW-QGDIXAPHSA-N 386.456 0.423 0 50 GCAA CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 1330384871 IUXGZELCBJVZQP-HNNXBMFYSA-N 397.472 0.857 0 50 GCAA Nc1ccc(C(=O)N2C[C@H]3CN(c4cnccn4)C[C@]3(CCC(=O)O)C2)cn1 1800413440 HSKRMEYEODDCMJ-AUUYWEPGSA-N 382.424 0.897 0 50 GCAA CN1CCn2nc(C(=O)N[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2C1=O 1857674884 BREZQBSWOGKVPP-HNNXBMFYSA-N 381.436 0.542 0 50 GCAA O=C(CNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)NC1CC1 1857726007 DXOUQLUWZYYGPF-ZDUSSCGKSA-N 399.476 0.877 0 50 GCAA CS[C@@H](C)C(=O)N1CCCO[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)C1 1875302328 LAUOFZSBCZXNPX-QWHCGFSZSA-N 394.559 0.685 0 50 GCAA NS(=O)(=O)c1cccc(CN=c2ccc3nnc(-c4cccnc4)n3[nH]2)c1 1875324186 LIEHJBANHMXAHJ-UHFFFAOYSA-N 381.421 0.868 0 50 GCAA CC(C)Oc1ccc(CNC(=O)N2CC3(C2)[C@@H](C(N)=O)CCS3(=O)=O)cc1 1875393762 RXJZQPDOMMCZDC-OAHLLOKOSA-N 395.481 0.658 0 50 GCAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cnsn3)C2)CCC1=O 2325864267 KVISJHLIJYGKTQ-OLZOCXBDSA-N 379.486 0.908 0 50 GCAA Cc1ccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 863246 GPRWVFCISPATTO-UHFFFAOYSA-N 382.468 0.542 0 50 GCAA CC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 12379388 NHFCHBXWJPLCTA-UHFFFAOYSA-N 395.481 0.905 0 50 GCAA CC[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713899 FWGPTAGYFFBECJ-KRWDZBQOSA-N 383.514 0.988 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(c3cnccn3)CC2)o1 15065092 AHSBEIMORCNCPG-QGZVFWFLSA-N 398.467 0.417 0 50 GCAA CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 18094220 MKJDJJSJILOYSN-JTQLQIEISA-N 383.455 0.509 0 50 GCAA CN1CCC(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 67603778 LWDIQMFNKFCBNE-UHFFFAOYSA-N 383.470 0.434 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCN1CCNC1=O)CO2 71714675 LWRVASQBYSZFIZ-AWEZNQCLSA-N 389.456 0.117 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ncc[nH]2)c(OC)c1 72163762 CNGKZQDFVZDQJL-OAHLLOKOSA-N 387.440 0.434 0 50 GCAA CN1C[C@@H](N)C[C@H]1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91433719 BVUJUMUNFZUFIM-RDJZCZTQSA-N 388.516 0.215 0 50 GCAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 91706896 YPWACXYUPYAXLV-KRWDZBQOSA-N 375.469 0.486 0 50 GCAA COC[C@@H](NC(=O)c1noc([C@H]2CCCN2C(=O)OC(C)(C)C)n1)C(N)=O 170613436 WEUNYBLGVSNMNK-NXEZZACHSA-N 383.405 0.372 0 50 GCAA C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 264187789 RBYSGRARXBPVOU-RDJZCZTQSA-N 393.509 0.413 0 50 GCAA Cn1cnc(S(=O)(=O)N[C@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)c1 277213548 GYJMBBZTVMTGCV-GFCCVEGCSA-N 381.410 0.556 0 50 GCAA CCC1=C(C(=O)N2CCC([C@@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)CCCO1 365092935 XBMBALYBMHDIOO-QGZVFWFLSA-N 391.468 0.831 0 50 GCAA CC(C)[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 409413025 BPZIHVOQIIUTND-KBPBESRZSA-N 391.424 0.749 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)cn1 825658325 BVWVXHDYHLLMKM-UHFFFAOYSA-N 394.453 0.709 0 50 GCAA CCc1nc(CN(C)C[C@@H](O)C2CCN(C(=O)c3c[nH]c(=N)s3)CC2)no1 1857738004 NAEXXAKFMPBXLO-GFCCVEGCSA-N 394.501 0.846 0 50 GCAA O=C(CCn1cnnn1)N[C@H]1CC[C@H](C(=O)NCC2=CCCCC2)C[C@@H]1O 1875242350 OEFVVNAANWCEHE-JYJNAYRXSA-N 376.461 0.326 0 50 GCAA 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377.470 0.334 0 50 GCAA COc1ccc(CN2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1O 220267692 PZERXPFTJFLUFE-CABCVRRESA-N 382.482 0.867 0 50 GCAA Cc1nc2ccccc2nc1CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 268654296 VJNDUBCDBSMVTH-UHFFFAOYSA-N 397.435 0.951 0 50 GCAA Cc1nn(CC(N)=O)c(C)c1-c1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 299788433 SJYGRMYOCACWJL-MRXNPFEDSA-N 383.452 0.990 0 50 GCAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3nc(O)nc(O)c3c2)cn1 328638393 WIEGALFBTRZVDE-UONOGXRCSA-N 391.409 0.583 0 50 GCAA CN(C)S(=O)(=O)CCNC(=O)c1cccc(-c2cncc(C(=O)O)n2)c1 426429032 VTSFJYKWHOJGJA-UHFFFAOYSA-N 378.410 0.463 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1O 1565512348 YKHFBMWFUYPGTD-HOTGVXAUSA-N 379.486 0.408 0 50 GCAA CN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704339263 HHNCMNPXCVQICA-DVOMOZLQSA-N 397.472 0.965 0 50 GCAA Cn1cc(C(=O)N2CCC3(CC2)CN(C(=O)CCc2cccnc2)CCO3)nn1 1775992963 VXFHFDHPFSNOSE-UHFFFAOYSA-N 398.467 0.677 0 50 GCAA CC(C)(C)CCN1CC2(CCN(C(=O)Cn3cnnn3)CC2)OCCC1=O 1857713626 STVVXLKEDMDQMG-UHFFFAOYSA-N 378.477 0.719 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)N(C)Cc3nncn3C)CC2=O)s1 1857731684 WZLUYDZZZGAKGS-JTQLQIEISA-N 379.446 0.215 0 50 GCAA Cn1c(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cc(=O)n(C)c1=O 1857735562 RTYZLGWNEWUIGI-RDTXWAMCSA-N 394.431 0.308 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccnn2-c2ccccc2)N1C 1875399220 RULHSZKYHSNHTI-PBHICJAKSA-N 380.470 0.232 0 50 GCAA O=C(c1cc[nH]n1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940194807 SUBMHDNGEJPLMW-UHFFFAOYSA-N 384.440 0.862 0 50 GCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C2)n1 2325759952 YGHCCCVUCPIBOP-QZTJIDSGSA-N 397.479 0.631 0 50 GCAA CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)Cn1nnnc1CN1CCCC1 12433725 AUXLNLQNPAJHIX-UHFFFAOYSA-N 386.435 0.985 0 50 GCAA CC(=O)Nc1ccc(CNC(=O)CNC2CCN(S(C)(=O)=O)CC2)cc1 65376223 FQYSVIQAOUULIJ-UHFFFAOYSA-N 382.486 0.275 0 50 GCAA COc1cc2c(cc1CNC(=O)c1cn(C[C@@H]3CCCNC3)nn1)OCCO2 71278585 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Nc1nsc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)n1 253427339 YMLPFQBPRBXNFW-UHFFFAOYSA-N 394.482 0.516 0 50 GCAA COc1ccc([C@H]2Cn3nnc(C(=O)NCCN4CCOCC4)c3CO2)cc1 263619244 XQGQWWZWCZGYLY-QGZVFWFLSA-N 387.440 0.620 0 50 GCAA CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@H](C(=O)O)C2)cc1 274986973 DTPOOIVBDRHTIT-CHWSQXEVSA-N 384.410 0.831 0 50 GCAA O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1cnc2nc(O)nc(O)c2c1 275243294 FQAORAPDNAACHZ-VIFPVBQESA-N 376.398 0.173 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nc(C3CC3)no2)o1 426690240 GSXVXEZNPWSTLJ-OAHLLOKOSA-N 387.440 0.898 0 50 GCAA Cc1nccn1CCCN([C@@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O 1775961470 CMIMYRTXDYYWGE-OAHLLOKOSA-N 394.501 0.772 0 50 GCAA O=C(C1CCCC1)N1CCC(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857687450 RKVFVXYVJZZKLC-LAUBAEHRSA-N 391.512 0.905 0 50 GCAA Cc1nnc(N2C[C@@H](C(=O)N3CCN(C)C4(CCOCC4)C3)CC2=O)s1 1857735226 NOUKEFUOHLBUPK-ZDUSSCGKSA-N 379.486 0.523 0 50 GCAA CCOC(=O)c1c[nH]c(-c2ccc(OC)cc2)nc1=N[C@H]1CCC(=O)NC1=O 1857797744 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CC[C@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc2C1 77564873 WOSJHRZLTFINLL-JTQLQIEISA-N 379.446 0.867 0 50 GCAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1CCCCn2nnnc21 97570801 ZRWRRZUCPNNBJY-HNNXBMFYSA-N 379.424 0.981 0 50 GCAA O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)N1CC[C@H](CO)[C@@H](O)C1 170617014 LJRDIRRSGMDGBY-CJNGLKHVSA-N 383.470 0.582 0 50 GCAA O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)cc2o1 223388185 QJSUJSNDEBXLQF-MSQAHXEGSA-N 379.438 0.651 0 50 GCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CC23CCNCC3)CC1 237343938 PQDVBMWDHUCZDD-OAHLLOKOSA-N 392.525 0.633 0 50 GCAA C[C@@H]1CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C[C@@H](C)S1(=O)=O 329780582 MSLGHXQXHZHQHB-VXGBXAGGSA-N 378.516 0.225 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](CNC(=O)c3cscn3)C2)C1=O 952967973 NMQLPJWQLQZCHA-LLVKDONJSA-N 393.469 0.442 0 50 GCAA COC(=O)[C@H](C)CN(C)c1ncnc2c1ncn2C[C@H](CO)[C@@H]1CCOC1 1857532784 VHAFFEDVQKKUDW-MGPQQGTHSA-N 377.445 0.717 0 50 GCAA CN1CC[C@]2(C(=O)NCc3cccnc3)CCCN(C(=O)Cc3cc[nH]n3)[C@H]2C1 1857684242 FCRGZFNNMQHIFV-GHTZIAJQSA-N 396.495 0.977 0 50 GCAA NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)NCCc2nc3c(s2)CCCC3)C1 1857702897 HSSWGDXIXVUEHT-KZULUSFZSA-N 378.498 0.114 0 50 GCAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2Cc3ccccc3C2)C1 1857705772 VCWUUWPMUKZLNE-HKUYNNGSSA-N 377.510 0.816 0 50 GCAA O=C(CCn1ccccc1=O)N1CCC([C@@H](O)CN2CCC(O)CC2)CC1 1857728160 PWNREBXQAUZCKF-SFHVURJKSA-N 377.485 0.295 0 50 GCAA CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1391689 HSHAUODYVDVKSF-CQSZACIVSA-N 383.426 0.087 0 50 GCAA COc1ccc2cc(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)n(C)c2c1 77407489 BGLNWWKNVFGPJD-SJORKVTESA-N 377.466 0.740 0 50 GCAA COCC(=O)N1CCN(C(=O)c2coc3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 97217723 QVEXPBXKNUXOMX-CABCVRRESA-N 392.433 0.529 0 50 GCAA O=C(O)CC[C@]1(CCC(=O)N2CCCN(c3ncccn3)CC2)CCC(=O)N1 219693861 YUYNZWBCFWJZMD-LJQANCHMSA-N 389.456 0.809 0 50 GCAA CN1CCC(N(C)CC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)CC1 244858646 VPIUSXZZQARJDN-HDJSIYSDSA-N 376.505 0.494 0 50 GCAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)o1 275283791 KWTDAVKPTUIZJG-LBPRGKRZSA-N 379.398 0.564 0 50 GCAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2Br)CC(=O)N1 387391138 ZSILNRVIELOPDO-ZETCQYMHSA-N 377.216 0.656 0 50 GCAA CCN(CC)C(=O)CN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 426383156 UFLGZTQFGJGMBD-INIZCTEOSA-N 378.521 0.695 0 50 GCAA CC(=O)Nc1nonc1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C 1529168574 FZSGCYHSMNEWAO-CQSZACIVSA-N 386.412 0.666 0 50 GCAA CCCCN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3cnnn3)ccc1O)C2 1772702580 SUNBAWTYAXYMCD-ZBFHGGJFSA-N 386.456 0.941 0 50 GCAA C/C(=C\C(=O)NCC1(O)CCN(C(=O)CNC(=O)C2CCC2)CC1)C1CC1 1775993103 YDGGUSJSILXFAA-SDNWHVSQSA-N 377.485 0.729 0 50 GCAA O=S1(=O)CC[C@@H](CCS(=O)(=O)NCc2ccc(-c3ncon3)cc2)C1 1857684255 FMMDVUFPIHBBPX-ZDUSSCGKSA-N 385.467 0.981 0 50 GCAA O=C(O)CN1CC[C@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1857687178 PWJFIDUHWAGQHR-FQEVSTJZSA-N 384.436 0.933 0 50 GCAA Cc1cn(CC(=O)N2CC[C@@]3(CN(Cc4cccnc4)CCO3)C2)c(=O)nc1O 1857693864 QBWHYXPELBVABK-HXUWFJFHSA-N 399.451 0.156 0 50 GCAA Oc1cc(N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)ncn1 1857708342 PANWMRXCZXYCRW-LJQANCHMSA-N 384.440 0.999 0 50 GCAA C=CC(=O)NCC(=O)N1CCC[C@@H](n2nncc2I)C1 1875303020 RLLOQFVFPQMWDY-SECBINFHSA-N 389.197 0.348 0 50 GCAA Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H](CO)[C@H](O)c1ccc(Cl)cc1 2325860426 HVTPTWCNGBQDJS-WDYCEAGBSA-N 394.855 0.772 0 50 GCAA CCn1ncc(C(=O)NC)c1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 2356152260 VTOXHXPOURWYFI-UHFFFAOYSA-N 397.432 0.806 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC 1158326 PTKIILLMLUGUJD-UHFFFAOYSA-N 398.481 0.963 0 50 GCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCCCCN1CCOCC1 12571341 LNGMQUDRMMDARV-SFHVURJKSA-N 382.549 0.842 0 50 GCAA CC(C)CCN[C@@H]1CCc2c(c(C(=O)NCCN3CCOCC3)nn2C)C1 14535755 IVBBZMFNRRRYJU-MRXNPFEDSA-N 377.533 0.975 0 50 GCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 95505528 USQIHMYOKYQKHK-HXUWFJFHSA-N 390.484 0.543 0 50 GCAA CC(C)C(=O)N1CCN(Cc2cnc(N(C)C)nc2)[C@@H]2CS(=O)(=O)C[C@@H]21 222375574 GXRBVRGHKFZDPP-CABCVRRESA-N 381.502 0.008 0 50 GCAA CN1C(=O)N(C)C2(CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)C1=O 299779378 RDNFNNWOHJSIJR-UHFFFAOYSA-N 383.412 0.220 0 50 GCAA C[C@H](OC1CCCCCC1)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 330003428 BTSWZQPSTXSBQL-XIRDDKMYSA-N 388.530 0.416 0 50 GCAA Cc1ccsc1CN(CCO)C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 670472301 JTNLFZOCSYCLQJ-STQMWFEESA-N 380.470 0.002 0 50 GCAA O=C(C1CC1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(CC2(O)CCC2)CC1 888103572 NPORGRQQTFGUOS-IAGOWNOFSA-N 376.501 0.771 0 50 GCAA Cc1c(C(=O)N2CCCN(C(=O)CCn3cccn3)CC2)cnc2ccnn12 1772702537 TUYWBZNUGUGTMN-UHFFFAOYSA-N 381.440 0.999 0 50 GCAA CCOCCC(=O)N1C[C@H]2CN(CC(=O)NCc3ccccc3)C[C@]2(CO)C1 1772709132 MJJQJKUUUSHARV-WIYYLYMNSA-N 389.496 0.482 0 50 GCAA CN(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)C1 1857703263 OTZCQWKNTSZDQG-ZIAGYGMSSA-N 382.486 0.053 0 50 GCAA Cc1nc(C(=O)N2CCc3c(O)nn(C)c3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403987 OIKSCNLQQYUGLP-CQSZACIVSA-N 399.499 0.871 0 50 GCAA Cn1cc([C@H]2C[C@H](N=c3ncnc(N4CCC5(CCNC5)CC4)[nH]3)CCO2)cn1 1875406144 YARFZVLCYDOVQC-IAGOWNOFSA-N 398.515 0.939 0 50 GCAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)Cc3ccccc3Br)CO[C@H]12 2325865504 FURXTOZJMJOUHS-WMHQRMGPSA-N 383.242 0.779 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H]4CC[C@@H](C(=O)O)C4)ccc3C2=O)C(=O)N1 2325895604 FFICXVWDFZZEAN-ZLDLUXBVSA-N 399.403 0.431 0 50 GCAA O=C(O)CN(CC1CC1)C(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325897038 MSZQGVHLEZTOJH-OAHLLOKOSA-N 399.403 0.384 0 50 GCAA CCOC(=O)[C@H]1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 19837394 UFBGCTXWVMHCQP-HNNXBMFYSA-N 394.476 0.087 0 50 GCAA COc1ccc(C(=O)CCC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1 20601790 VSCIWQQQDLSGIX-UYAOXDASSA-N 389.496 0.867 0 50 GCAA CC(=O)Nc1ccc2nc(CN3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)ccc2c1 65489311 OQDNEANOHYRJKZ-SFTDATJTSA-N 383.496 0.986 0 50 GCAA CNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O 67818790 XBUKVWYUYALNQU-IBGZPJMESA-N 379.457 0.235 0 50 GCAA CNC(=O)CN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71774518 RQVFKONDAFNZNW-GOSISDBHSA-N 387.528 0.962 0 50 GCAA CC(C)N1CCN(CCCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 72428392 XXEVMZBFDALTTD-UHFFFAOYSA-N 382.505 0.208 0 50 GCAA COCCN1CC[C@]2(CCC1=O)CN(C(=O)c1ccc(CO)cc1)CCN2C 95387811 ADCBNUREMMNEKT-OAQYLSRUSA-N 389.496 0.964 0 50 GCAA Cn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 225690556 HBLOJSVIZRGKLI-SYQHCUMBSA-N 388.380 0.760 0 50 GCAA CNS(=O)(=O)c1cc(C(=O)N2CCNC[C@H]2c2nccn2C)ccc1OC 261769132 RBNWRUHWGKYZHC-ZDUSSCGKSA-N 393.469 0.124 0 50 GCAA CS(=O)(=O)N1CCc2c(ncn(CC(=O)N(C3CCCC3)C3CC3)c2=O)C1 328604430 JSSSNBZEYSSYIQ-UHFFFAOYSA-N 394.497 0.495 0 50 GCAA CCOC(=O)c1c(NC(=O)CN2CCC[C@@](O)(C(N)=O)C2)sc(C)c1C 499459411 TWLZOWYTDJYARI-KRWDZBQOSA-N 383.470 0.792 0 50 GCAA O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CC(=O)N(c2ccccc2F)C1 1324036602 QZZGRHRZEUHNEN-CYBMUJFWSA-N 387.415 0.832 0 50 GCAA Cc1cc(C)n(CCC(=O)N2CC[C@H](NC(=O)c3cc(C)on3)[C@@H](O)C2)n1 1565508445 QVZVJLWUESIEBA-HOCLYGCPSA-N 375.429 0.578 0 50 GCAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H]4CCN[C@H]4C3)c2)no1 1565510672 LMEVKNAVKLQLST-PBHICJAKSA-N 390.465 0.895 0 50 GCAA CC(=O)N[C@]1(C)CCOC2(CCN(C(=O)CCc3ccnn3C)CC2)[C@H]1O 1704325023 BSNHBRBNIWAYGX-ZWKOTPCHSA-N 378.473 0.390 0 50 GCAA Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2-n2cncn2)no1 1857693001 DFVVYBNLVSVIOF-HOTGVXAUSA-N 393.407 0.974 0 50 GCAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)Cc1noc3ccccc13)C2 1875396168 XVAKHMBXTDERFI-ZDUSSCGKSA-N 391.449 0.474 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NC2Cc3ccccc3C2)CC[C@H]1O)c1cncnc1O 2100556236 JKVANLFHJXVIBI-BMGDILEWSA-N 396.447 0.725 0 50 GCAA O=C(N[C@@H]1CCN(C2CNC2)C1=O)c1ccc2nnc(-c3ccccc3)n2c1 2325801860 YRKMSPJBFTVKIM-MRXNPFEDSA-N 376.420 0.699 0 50 GCAA O=C(CC1=CCOCC1)N[C@H]1CC2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)n2ccnc21 2332237915 QLHDIZYSKOFYOO-UIBIWLFHSA-N 398.463 0.611 0 50 GCAA OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@H](O)[C@H]1O 3149174 NLRXQZJJCPRATR-QMHWVQJVSA-N 385.210 0.781 0 50 GCAA in-vitro CN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O 22023349 RTXPWVWJBBIFPD-UHFFFAOYSA-N 386.363 0.141 0 50 GCAA O=C1CN(Cc2cn(CC3CCN(C(=O)[C@H]4CC=CCC4)CC3)nn2)CCN1 23544061 SVLUCSGLTZMZQI-KRWDZBQOSA-N 386.500 0.805 0 50 GCAA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CC[C@@H](N2CCOCC2)[C@H](O)C1 71745295 ODEMXVDNDOQRSN-IAGOWNOFSA-N 375.400 0.575 0 50 GCAA CS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)cc1 91306183 ZXVSVZJRSATZDH-IAGOWNOFSA-N 380.510 0.795 0 50 GCAA O=C(CCn1cccn1)N1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 91586521 AGJRWPZWQSILNS-VQIMIIECSA-N 375.473 0.774 0 50 GCAA COCC(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)CC1 95360180 DBJOFFNTVBPAQJ-OAHLLOKOSA-N 376.457 0.726 0 50 GCAA CCn1c(Cn2cncn2)nnc1C1CCN(c2ncnc3[nH]cnc23)CC1 96162834 XWCACLLRQCRJBC-UHFFFAOYSA-N 379.432 0.988 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3ccccc3OCC(=O)O)C[C@H]2C1 247495180 CUMZTMFMOQIZAS-YJBOKZPZSA-N 398.481 0.368 0 50 GCAA C[C@H]1CCCC[C@]1(CN)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 262902444 PUJJNUKUWOHDBK-MGPLVRAMSA-N 381.458 0.220 0 50 GCAA COCCNC(=O)CN1C(=O)N[C@H](c2ccc(OC)cc2)C2=C1COC2=O 263617698 PDSCXUHPXSLBSW-MRXNPFEDSA-N 375.381 0.335 0 50 GCAA CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 283599524 LBWWROOTTQCPAV-HNNXBMFYSA-N 379.482 0.845 0 50 GCAA O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCc1nnc2ccccn12 334162744 YVUAXVYZRWLZIO-CQSZACIVSA-N 396.382 0.995 0 50 GCAA COc1ccc(C(N)=O)cc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 409414942 ZNWZRFSANQXUHI-CQSZACIVSA-N 382.376 0.873 0 50 GCAA biogenic CC(C)N(C)S(=O)(=O)N1C[C@@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 823788663 NWMKTVCJXSESRC-KRWDZBQOSA-N 396.513 0.613 0 50 GCAA C=CC(=O)N1CCC(C(=O)NCCN2C(=O)CCC2=O)(c2ccccc2)CC1 847495459 ZMKTZPUTFGKNOL-UHFFFAOYSA-N 383.448 0.998 0 50 GCAA O=C1CN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)[C@H]2CCCC[C@H]2N1 888097406 IIKSWMHSRZHLQN-KGLIPLIRSA-N 386.456 0.380 0 50 GCAA COc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cc1Cl 1506404783 FVEQAHYBVZFCNL-GJZGRUSLSA-N 389.905 0.642 0 50 GCAA CS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc4c(c3)CCO4)[C@H]3CC[C@]2(C1)O3 1704345271 VOOQYKKFCPUPPY-BUIAKZPTSA-N 392.477 0.790 0 50 GCAA Cn1nccc1CCC(=O)N1C[C@@H]2CN(C(=O)c3cnsc3)C[C@]2(CO)C1 1772709324 OHVOOICDTTYYKP-KDOFPFPSSA-N 389.481 0.402 0 50 GCAA CN(C)C(=O)CN1CCC2(CCc3c2nc(N(C)C)[nH]c3=NCCCO)CC1 1857688245 YTFAPSWVEGITNB-UHFFFAOYSA-N 390.532 0.127 0 50 GCAA Cn1cncc1C(=O)N[C@H]1CC[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]1O 1875245461 ARZBQJQCQVLQJD-IEZWGBDMSA-N 382.464 0.963 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1c[nH]c3c(C)cccc13)C2 1875396115 VXARFPDSNCXAPT-OAHLLOKOSA-N 389.477 0.781 0 50 GCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c4c(nn3C)CCOC4)C2)n1 1875397024 IBXGOUSRHKLVHE-CQSZACIVSA-N 399.499 0.628 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCNC(=O)c2ccncc2)OCC(=O)N1C 2100534479 KJGDKFFXZJEVFX-MOPGFXCFSA-N 396.447 0.835 0 50 GCAA O=C1CC[C@@H](N2Cc3c(NCC(=O)N4CC=CCC4)cccc3C2=O)C(=O)N1 2325893078 FESLOIOMOBZMOB-MRXNPFEDSA-N 382.420 0.648 0 50 GCAA COc1ccnc(NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325898030 PXDBFIDBJZHHHO-AWEZNQCLSA-N 381.392 0.858 0 50 GCAA O=C1CC[C@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1CCc1c[nH]cn1 91321155 YJGKRWMDHYAPQW-LJQANCHMSA-N 384.440 0.581 0 50 GCAA COc1coc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cc1=O 91434120 MMIJEANAOXQSSM-LXTVHRRPSA-N 380.441 0.438 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC(C)C)CN1C(=O)c1cc[nH]n1 96132616 IDMPCMIOTWPSFA-HIFRSBDPSA-N 379.461 0.402 0 50 GCAA CN(C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 170613215 NUKOMCVYJPOOFB-HUUCEWRRSA-N 375.516 0.891 0 50 GCAA Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)no1 239309336 HJSXNSMPCSNNTI-UWTIAYHASA-N 399.403 0.908 0 50 GCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)C1 245253726 LVVKJVPIVOLVJJ-OQPBUACISA-N 389.371 0.855 0 50 GCAA Cn1ncc(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1C(F)(F)F 332089369 KJEIHXNEHNNPGY-UHFFFAOYSA-N 378.380 0.669 0 50 GCAA COc1cc2c(cc1S(=O)(=O)N1CCO[C@@H]3CCOC[C@H]31)OCC(=O)N2 366251331 DNBAOERJEQEDHB-VXGBXAGGSA-N 384.410 0.205 0 50 GCAA CCCN1CCCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1=O 471961981 YPIYTGGQCJXUKZ-CYBMUJFWSA-N 383.474 0.719 0 50 GCAA NC(=O)c1nc(CNC(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)no1 584897598 LZGATWYEGZSQNY-UHFFFAOYSA-N 377.445 0.889 0 50 GCAA O=C(CCCn1cncn1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670469812 TXIPRRMDDQDSHZ-SGDIKTSBSA-N 380.496 0.742 0 50 GCAA Cc1cc(=O)n(CCN2CCCN(C(=O)c3nn(C)cc3Cl)CC2)c(O)n1 1529139974 ZNXAWIXUZRJDHI-UHFFFAOYSA-N 394.863 0.492 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2cc[nH]n2)cc1 1704344099 NWZVFMUGSWOKNU-GOEBONIOSA-N 378.454 0.713 0 50 GCAA CN(C)C[C@]12CN(Cc3ccc(CO)o3)C[C@@H]1CN(C(=O)c1ccnn1C)C2 1772810602 NCJMDSGPBHPKGK-FOIQADDNSA-N 387.484 0.641 0 50 GCAA O=S1(=O)CC[C@@H](CCS(=O)(=O)N2CCCN(c3ncccn3)CC2)C1 1857702367 KKTFAYBDACVVTP-AWEZNQCLSA-N 388.515 0.143 0 50 GCAA COc1ccc(F)cc1C(=O)N1CCC([C@@H](O)CN2CCCNC(=O)C2)CC1 1857709315 QRGHZOCBDJTUAK-KRWDZBQOSA-N 393.459 0.869 0 50 GCAA CN(C)C(=O)[C@H]1c2cnn(C)c2CCN1C(=O)CCc1nc2cccnc2[nH]1 1875394415 IEZCXLPSCIKXIY-QGZVFWFLSA-N 381.440 0.838 0 50 GCAA COc1cc(Br)cc(=N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)[nH]1 2325785937 VHVAJYLDNCEERN-JTQLQIEISA-N 396.245 0.765 0 50 GCAA CC(C)[C@@H]1CNCCN1C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325890783 XNEIYTDEMXASJI-IRXDYDNUSA-N 398.463 0.518 0 50 GCAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)N(C)C)C2)c1 12076155 UCEWRDQGUDBUMY-ZDUSSCGKSA-N 383.470 0.721 0 50 GCAA CN(C)CCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 13669548 VTFYQYSZXPBWKS-UHFFFAOYSA-N 378.292 0.893 0 50 GCAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)N1CCOCC1 35375626 BUOCNPKRPFVFTK-UHFFFAOYSA-N 383.452 0.429 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cc(F)ccc3Cl)nn2)CN1 67679138 VDROKNONQLFWTQ-DOMZBBRYSA-N 394.838 0.992 0 50 GCAA Cc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)no1 71767683 VJRMJYWIFKQMCF-INIZCTEOSA-N 377.489 0.913 0 50 GCAA 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O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](c2cccc(O)c2)C1 1875267940 LQTBBYUYFCACNZ-OAGGEKHMSA-N 392.477 0.744 0 50 GCAA O=C(N1CCC(n2ccc(O)nc2=O)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 1875313243 MYKODUCHKFPEBC-NRFANRHFSA-N 398.463 0.749 0 50 GCAA Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)cc2n1 1940196178 PZQVYGQOSVHIOR-UHFFFAOYSA-N 382.302 0.706 0 50 GCAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cnc2c(=O)[nH]ccc2c1 2325875038 DXDPHVPVALRDFK-RISCZKNCSA-N 378.454 0.713 0 50 GCAA COc1ccc(C(=O)NCCCOCCCN)cc1N1CCC(=O)NC1=O 2325898990 HXBGHMKCOYAGHI-UHFFFAOYSA-N 378.429 0.627 0 50 GCAA Cc1cscc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1CCN(C)CC1 2332238062 XNCYHWMKQZXHFM-HUUCEWRRSA-N 399.538 0.410 0 50 GCAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC(c4nc(=N)[nH][nH]4)CC3)cn12 2356169572 VFIBIJQNPHYKHI-CQSZACIVSA-N 384.444 0.969 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@H](O)COc1ccccc1 634777 HONFHEFUABSRFX-ZDUSSCGKSA-N 385.424 0.463 0 50 GCAA 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NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCN2CCCCC2=O)cc1 1565505868 RJDUNRWERTYYBT-IRXDYDNUSA-N 389.452 0.841 0 50 GCAA C[C@@]1(NC(=O)Cc2ccccc2)CCOC2(CCN(CC(N)=O)CC2)[C@H]1O 1772712676 YQFQBASILPDLFE-RBUKOAKNSA-N 375.469 0.205 0 50 GCAA CN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1857678827 BDCNDTNKVJYZHS-HUUCEWRRSA-N 392.485 0.812 0 50 GCAA CS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857706039 HTBJWPGWXGCEMD-SOUVJXGZSA-N 387.889 0.520 0 50 GCAA CC(C)n1cnnc1CN(C)C[C@]1(O)CCCN(C(=O)CN2CCOC2=O)C1 1857719303 IQBGGXXYVQCZJY-GOSISDBHSA-N 394.476 0.097 0 50 GCAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1=O 1875265414 GOWHCMPYENTTRT-WCQYABFASA-N 375.429 0.132 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)N(C[C@H]2CCC(=O)N2)C(C)C)CC1 12474740 YXGDFYFNELVZMQ-OAHLLOKOSA-N 377.493 0.421 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnccn1 19338050 SCKDXNQEKOFHNS-GOSISDBHSA-N 397.479 0.925 0 50 GCAA C[C@@H](C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1)n1cnnn1 67868804 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COc1cc(CN2CCNC(=O)CC2)ccc1OC[C@H](O)CN1CCCC1 95510458 PZQJZWHOZVEFOG-QGZVFWFLSA-N 377.485 0.853 0 50 GCAA Cc1[nH]c(=O)c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c(C)c1Cl 97515116 KQZIRJXFWHRUTC-UHFFFAOYSA-N 375.878 0.448 0 50 GCAA Cn1cc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)n1 328786557 WSOQPRYAROHPAD-QMMMGPOBSA-N 375.394 0.542 0 50 GCAA CN1C[C@@H](C(=O)NC(C)(C)C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)CC1=O 333663689 BLMZLBHJDCFZCF-KBPBESRZSA-N 392.500 0.076 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCC1=O 426438769 DQJVSKAMQBUNRB-HNNXBMFYSA-N 386.456 0.263 0 50 GCAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(N2CCC(O)CC2)CC1 426573346 XUKLVUYAJFPYRZ-MRXNPFEDSA-N 375.517 0.798 0 50 GCAA O=C1NC(=O)[C@H](CC(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)N1 952965406 RPNLBZITNNCROD-INIZCTEOSA-N 397.435 0.734 0 50 GCAA O=C1CC[C@H](C(=O)N2CCOC3(CCN(c4ncc(Cl)cn4)CC3)C2)CN1 952985333 AQQZUHGWVYLDHS-ZDUSSCGKSA-N 393.875 0.854 0 50 GCAA CNS(=O)(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1309947330 ZIRMFGCJNFPXBE-CQSZACIVSA-N 392.319 0.738 0 50 GCAA O=C(Cc1cc[nH]n1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857669894 BEOMKNNGJXPUCB-GOSISDBHSA-N 389.500 0.418 0 50 GCAA O=C(CCc1cccnc1)N[C@H]1CC[C@@H](NC(=O)c2cc3n(n2)CCNC3=O)C1 1857686250 NJJMNKSMCRTYTP-LSDHHAIUSA-N 396.451 0.421 0 50 GCAA NC(=O)c1cn2c(n1)CCN(C(=O)CCn1c(CO)nc3ccccc31)CC2 1875249748 XGOWMWFKKCYPNE-UHFFFAOYSA-N 382.424 0.299 0 50 GCAA CO[C@H]1C[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)N(c2cc(C)ncn2)C1 1875393267 KGQMTHMPWDJJRP-GJZGRUSLSA-N 396.455 0.863 0 50 GCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@@H]2CCCCn3nnnc32)CC1 1940198175 SFQUBLCOHSQGNX-GFCCVEGCSA-N 384.444 0.355 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1cn(C)nc1C 2100539521 MJHKWZLNPMKMKS-NWANDNLSSA-N 379.461 0.024 0 50 GCAA O=C(O)[C@H](Cc1ccc(O)cc1)NC[C@H](O)Cn1cc(Br)cn1 2325851950 NVMGSMPMYAZXFA-KBPBESRZSA-N 384.230 0.998 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cncc3c2CCNC3=O)c1 2325862858 LHNZVBGGKYVSEP-UHFFFAOYSA-N 396.407 0.617 0 50 GCAA CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)c1 14732203 QJPKYPUWQXWEET-DTCNJJKHSA-N 378.454 0.379 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(Cc3cccs3)C2=O)cc1 18105623 MTKBTMVAWORRHN-OAHLLOKOSA-N 393.490 0.855 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1 23214753 CJKJLAOTGQWGOX-BETUJISGSA-N 388.428 0.327 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)N3CCCC3)nn2)CN1 67694697 GYHXHXDRZBZHEN-HOTGVXAUSA-N 377.493 0.697 0 50 GCAA O=C(NCCO)c1cc2n(n1)CCN(C(=O)c1ccccc1-c1ncc[nH]1)C2 67724853 VRDJFRMMAIRAJT-UHFFFAOYSA-N 380.408 0.651 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 71614800 BGSBHIPXOZNBGQ-OAHLLOKOSA-N 375.473 0.556 0 50 GCAA NC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 72152109 ZEQKYDHYEATXID-GOSISDBHSA-N 396.447 0.771 0 50 GCAA CN1CCN(CC2CCN(C(=O)c3ccc(CNS(C)(=O)=O)o3)CC2)CC1 176631249 TZFZBSUOICIKFA-UHFFFAOYSA-N 398.529 0.428 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@H]3CCN(c4ncccc4F)C3)c2)CCN1 188310568 RBYZVWIKBXXKCG-ZDUSSCGKSA-N 384.415 0.561 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NCc3ccon3)c2)n[nH]1 214995631 XWOHILYFCFWCON-UHFFFAOYSA-N 376.398 0.510 0 50 GCAA CCCc1nnc(NC(=O)CN2CCN(c3cc(C)nc(N)n3)CC2)s1 252478862 AWJLJPPFRXOSQN-UHFFFAOYSA-N 376.490 0.932 0 50 GCAA C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)C1 253407692 ICJAFMYWLITWHL-WDSOQIARSA-N 388.512 0.321 0 50 GCAA C[C@]1(C(=O)NC[C@@]2(C)CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CCC(=O)NC1 333430759 HMSJTBFESPLRID-AABGKKOBSA-N 392.500 0.174 0 50 GCAA COc1ccc(OC)c(S(=O)(=O)N2CCn3nc(CNC(C)=O)cc3C2)c1 426533761 HWEXYYZNSJNTSJ-UHFFFAOYSA-N 394.453 0.741 0 50 GCAA C[C@H](NC(=O)C(F)(F)C(=O)N[C@H](C)c1nccc(N)n1)c1nccc(N)n1 864096991 GXMMBDLAWVJRMM-OCAPTIKFSA-N 380.359 0.121 0 50 GCAA Cc1cccc(-n2cc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cn2)c1 1529111413 XVSGWSHCXHUWKX-FUHWJXTLSA-N 378.498 0.865 0 50 GCAA Cn1c(=O)c2c(ncn2CCN2CCC[C@H](C(=O)c3ccccn3)C2)n(C)c1=O 1529192020 NPRJROJHRRAAEZ-AWEZNQCLSA-N 396.451 0.424 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@@H]1O 1615963377 CQPSCLOLWUTRIG-CABCVRRESA-N 379.438 0.666 0 50 GCAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]21 1704325522 JVQNKILPPSYEHZ-UHOFOFEASA-N 388.511 0.896 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(-c2cc[nH]n2)cc1 1704344057 NWZVFMUGSWOKNU-HOCLYGCPSA-N 378.454 0.713 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ccon3)[C@H]2c2cnn(C)c2)CC1 1857692507 IGXLCECPAWWWLI-ROUUACIJSA-N 388.472 0.628 0 50 GCAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCO[C@]2(CCN(CCO)C2)C1 1857703678 WBDWLIJVMPSNIF-IBGZPJMESA-N 396.871 0.949 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cnc(N(C)C)nc3)C[C@H]2CO1 1857728740 BERRMCCCIJGWTG-IKGGRYGDSA-N 399.499 0.899 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N3CCN(C)C4(CCNCC4)C3)CC2=O)s1 1857737210 BHLKDSVNYFBVBD-CYBMUJFWSA-N 392.529 0.350 0 50 GCAA COC(=O)C[C@H]1CSC(NC(=O)[C@@H]2CCC(=O)N(CC(F)(F)F)C2)=N1 2325780110 HZADPCFAXISQLC-BDAKNGLRSA-N 381.376 0.938 0 50 GCAA O=C(N[C@@H]1CCN(C(=O)c2ccc3cnnn3c2)C[C@H](O)C1)[C@@H]1CC[C@@H]2C[C@@H]21 2325878453 QBSANENNZUMNDS-FIAHSWLMSA-N 383.452 0.857 0 50 GCAA Cc1cc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)ncn1 2325895621 FLRJSDFZZHVPDA-HNNXBMFYSA-N 379.376 0.798 0 50 GCAA CC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)C1(C)C 11782417 DYTHJNXRPQRGGT-ZDUSSCGKSA-N 389.500 0.998 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCN2CCCC2)c(F)c1 11839588 QZSAKFRDRQIBJA-GOSISDBHSA-N 392.475 0.737 0 50 GCAA CC(=O)N[C@H]1CCN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)C1 71763253 GSGSVMSVTOKNBJ-HNNXBMFYSA-N 380.452 0.603 0 50 GCAA CN(Cc1nccs1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77338648 MOZCVLGGYWKUDU-NWDGAFQWSA-N 380.499 0.145 0 50 GCAA CCN1CCN(C(=O)c2cc(C)nc3onc(C)c23)[C@H]2CS(=O)(=O)C[C@H]21 77394494 XFUCCNXXVATOOI-KGLIPLIRSA-N 378.454 0.783 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)no1 95360677 GZFYRKKVXILHJC-ZDUSSCGKSA-N 380.426 0.765 0 50 GCAA O=C(NC[C@H]1CCOc2ccccc2C1)c1cn(CCN2CCNCC2)nn1 95378764 QYBQXXSGIRPLDD-INIZCTEOSA-N 384.484 0.555 0 50 GCAA Cc1ccc(C(N)=O)cc1NC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 95520710 CUFQNYRZZRIULY-AWEZNQCLSA-N 380.470 0.431 0 50 GCAA COc1ccc([C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H]2C[C@@H](O)C2)cn1 244787886 QFPNNGIJXARPIM-JKIFEVAISA-N 391.449 0.980 0 50 GCAA O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 329464801 RDJSISBJDYDQSI-HNNXBMFYSA-N 379.548 0.348 0 50 GCAA O=C1N[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)Cc2ccccc21 426369180 LJQBDAWLFLXZGC-INIZCTEOSA-N 376.420 0.733 0 50 GCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 426409278 HKCMAXRPVUAFNP-MRXNPFEDSA-N 380.514 0.971 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2n[nH]c4c2CCCCC4)[C@@H]3C1=O 670440246 JQDPVZMJXRVXES-LJCCNALRSA-N 387.484 0.260 0 50 GCAA CCc1nccn1CCCNS(=O)(=O)c1ccc2nc(O)n(C)c(=O)c2c1 670450495 XNHSIQWFLHEPII-UHFFFAOYSA-N 391.453 0.767 0 50 GCAA O=C(CCn1cccn1)N1C[C@H]2CN(C(=O)Cc3ccsc3)C[C@@]2(CO)C1 1772703493 GFGFASMMXZTZTD-QFBILLFUSA-N 388.493 0.857 0 50 GCAA COCc1noc(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)n1 1772809725 DWSUVFLGWOUFSH-LLVKDONJSA-N 393.469 0.930 0 50 GCAA CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCS(=O)(=O)NC 1857685988 CXNKBIYXWZCHEQ-GJZGRUSLSA-N 395.481 0.450 0 50 GCAA O=C(Cn1ncnn1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857689300 MYINZTFINHTYDO-LJQANCHMSA-N 392.423 0.737 0 50 GCAA CC(C)c1noc(C2CCN(C[C@@H](O)C3CCN(C(=O)CO)CC3)CC2)n1 1857717042 LORAQYFRPRZVQU-MRXNPFEDSA-N 380.489 0.964 0 50 GCAA Cc1nc(CN2C[C@@H]3[C@H](CNC(=O)c4nsnc4C)[C@H]4CC[C@]3(C2)O4)no1 1857719500 NPJGRIKKLKDGSE-SFDCBXKLSA-N 390.469 0.947 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cc(C(F)F)nn3C)C[C@H]2CO1 1857729390 YQWLEDVVIBSSSJ-SRVKXCTJSA-N 385.415 0.408 0 50 GCAA CS(=O)(=O)NCCNC(=O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857739596 WZEMMAWTBPQCCG-LBPRGKRZSA-N 381.458 0.495 0 50 GCAA O=C(COCc1ccccc1)N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O 1875247311 ZMADCADXLPYPAR-RCCFBDPRSA-N 376.453 0.708 0 50 GCAA CS(=O)(=O)CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1875310265 KVXSCFWQPBNEBW-OAHLLOKOSA-N 379.482 0.810 0 50 GCAA O=C(COCc1ccccc1)N[C@H]1C[C@H](C(=O)NC2CCOCC2)C[C@@H]1O 1940196522 PZTYVGLIJDBNON-SZMVWBNQSA-N 376.453 0.754 0 50 GCAA Cc1c[nH]c(CN(C)C(=O)Cn2nnnc2CN2CCc3ccccc3C2)n1 12438861 OIRDXXNNNSDWBC-UHFFFAOYSA-N 380.456 0.922 0 50 GCAA CCOCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 15062663 YXOJKERTIFHATC-INIZCTEOSA-N 393.484 0.937 0 50 GCAA CC(C)(NC(=O)c1cccs1)C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 65462255 LIQGOXQUBTUSPN-NSHDSACASA-N 389.499 0.033 0 50 GCAA CN(C)C(=O)CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71748678 RIOLOCIPTYKMHJ-SFHVURJKSA-N 387.528 0.962 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ncc[nH]2)c(OC)c1 72163761 CNGKZQDFVZDQJL-HNNXBMFYSA-N 387.440 0.434 0 50 GCAA CCn1ccnc1CNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](N)C2)c1 95388527 MRNWWYVTIDZXHB-AWEZNQCLSA-N 377.470 0.555 0 50 GCAA CC(C)=CCN1CCN(Cc2nc3ncccn3n2)[C@H]2CS(=O)(=O)C[C@H]21 95531404 GOMGNZSCSHGUTH-CABCVRRESA-N 376.486 0.374 0 50 GCAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)NS(C)(=O)=O)C3)c1 96150663 FCZHEGRNPRXSMJ-NSHDSACASA-N 378.454 0.908 0 50 GCAA COc1ccc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cn1 238869692 MPETZOKJEFNQIH-UHFFFAOYSA-N 379.442 0.361 0 50 GCAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)O)C1 269032865 NGUGDATUORSGCO-CABCVRRESA-N 377.376 0.607 0 50 GCAA COc1ccc(C)cc1N1C[C@@H](C(=O)N(CCN(C)C)CC(=O)O)CC1=O 299749618 LAUVTKXNMLOKLO-AWEZNQCLSA-N 377.441 0.831 0 50 GCAA Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)C2=O)n(C)n1 378362372 RLYBPRIBZBXDHD-HZPDHXFCSA-N 389.431 0.876 0 50 GCAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCc2csc(-c3cnccn3)n2)C1 670454177 NVIFGGBFRSXEJT-JTQLQIEISA-N 383.455 0.731 0 50 GCAA Cc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(=O)n1 670468365 IMTFEMDIPIFZFR-UHFFFAOYSA-N 378.410 0.170 0 50 GCAA C=CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 858137758 FNNXSJXGDZRXRF-UHFFFAOYSA-N 385.873 0.817 0 50 GCAA CCn1ccc(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)cc1=O 1565510077 JIUYLDBTYHIKGY-HOTGVXAUSA-N 376.482 0.998 0 50 GCAA O=C(Cn1nc2ccccc2n1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565516338 VIVPRQJQTNWACG-ROUUACIJSA-N 379.420 0.823 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1ccc2c(c1)OCO2 1704335726 DOYJPUDLWXBSOG-KBPBESRZSA-N 384.454 0.371 0 50 GCAA CN1CC[C@]2(C(=O)NCCc3cnc[nH]3)CCCN(C(=O)c3cnccn3)[C@H]2C1 1775979292 SIQDOWZJDZFIOG-FXAWDEMLSA-N 397.483 0.485 0 50 GCAA Cc1nc(O)cc(C2CCN(C[C@H](O)C3CCN(C(=O)CO)CC3)CC2)n1 1857721105 YZLLIZUCSAKOAK-KRWDZBQOSA-N 378.473 0.262 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C1 2325888650 NKECWSZITJINDB-HNNXBMFYSA-N 394.497 0.283 0 50 GCAA CC(C)[C@@H]1CNCCN1C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325890784 XNEIYTDEMXASJI-SJORKVTESA-N 398.463 0.518 0 50 GCAA CCN(CC)c1nc(Oc2ccc(=O)n(CC)n2)nc(N2CCOCC2)n1 16647843 BNVCZZYPGPLBPN-UHFFFAOYSA-N 375.433 0.923 0 50 GCAA CCOCCC(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 91665111 JTVBSXIMHORPRK-UHFFFAOYSA-N 377.489 0.815 0 50 GCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91794308 MIKNWOBKVTZVQJ-HXUWFJFHSA-N 388.468 0.568 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(COC)o2)CN1Cc1ncc[nH]1 92098975 HRODRUHXVWEHBF-JSGCOSHPSA-N 375.429 0.658 0 50 GCAA Cc1cc(C)nc(N2CCC(N3CCCN([C@H]4COC[C@@H]4O)CC3)CC2)n1 95522989 GDHDRHSVLULYQT-OALUTQOASA-N 375.517 0.830 0 50 GCAA Cc1cc2occ(CC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)c2cc1C 170771796 BQCZTHXJKGUQDF-UHFFFAOYSA-N 382.424 0.950 0 50 GCAA Cc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 215902871 RSDHJKIUCHWIRT-AWEZNQCLSA-N 375.425 0.620 0 50 GCAA CCc1ccc(CN(CCOC)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1 244716091 LIGCARQJTHHTPS-MRXNPFEDSA-N 386.452 0.839 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(CCOCc3ccccc3)C[C@H]2C1 247982659 XYZULNZUSYXFNN-OALUTQOASA-N 397.541 0.768 0 50 GCAA Cc1ccc2nc(CN3C[C@H]4CN(S(C)(=O)=O)C[C@@]4(C(=O)O)C3)[nH]c2c1 248335179 MOHRCXNJLYXXAB-SJCJKPOMSA-N 378.454 0.649 0 50 GCAA O=C(C(=O)N1CC[C@H]([C@@H]2CCOC2)C1)N1CCN(C(=O)N2CCCC2)CC1 1328285173 BSRYZWYQGJUGNJ-JKSUJKDBSA-N 378.473 0.231 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704297339 NGTJHGIZLOWIGB-GRYCIOLGSA-N 381.454 0.329 0 50 GCAA CO[C@@H]1CCC[C@@]12CCCN(CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1704342318 LXUUKUJBSOFFBS-KUHUBIRLSA-N 375.473 0.715 0 50 GCAA Cc1cnc(C(=O)N2C[C@@H]3CN(C4CSCCSC4)C[C@@]3(CO)C2)cn1 1772806515 FVUQBGURXNKGNB-KSSFIOAISA-N 394.566 1.000 0 50 GCAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1=O 1875265412 GOWHCMPYENTTRT-AAEUAGOBSA-N 375.429 0.132 0 50 GCAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc([C@@H]4CCCCN4)nn3)C2=O)C(=O)N1 1875356280 NLQQOMUGLLIDPU-WMLDXEAASA-N 394.435 0.843 0 50 GCAA O=C(CCn1cnnc1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356158781 ZFHACNDKKOOMLP-GPMSIDNRSA-N 375.473 0.955 0 50 GCAA CC(C)(CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 806136 ZKULHMXEPJSSSU-UHFFFAOYSA-N 376.862 0.862 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 4276353 RCJBIZWBMDWICZ-CQSZACIVSA-N 386.495 0.778 0 50 GCAA O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCc2ccccc2C1 6875236 HUINZRCCKKZTPZ-OAHLLOKOSA-N 375.450 0.737 0 50 GCAA CN(C)S(=O)(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 11998392 YQJKBJQMXNYYNX-UHFFFAOYSA-N 376.486 0.699 0 50 GCAA CCn1c([C@H]2CCCN(S(=O)(=O)c3cccc4nonc34)C2)nn(C)c1=O 67695427 UVWOXCLRIANQOV-NSHDSACASA-N 392.441 0.706 0 50 GCAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCCN1CCOCC1 67740161 KXEFFVJWAOMMAN-LJQANCHMSA-N 383.439 0.740 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccc(O)cc3)cc2C1 82097074 DGKDXNAUHWWHAO-UHFFFAOYSA-N 378.454 0.613 0 50 GCAA O=C(NCCN1CCc2ccccc21)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 91636459 RVAPWABRSXVTDZ-MSOLQXFVSA-N 386.496 0.250 0 50 GCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95381033 BPUXHSDWEACGHN-GVDBMIGSSA-N 384.411 0.905 0 50 GCAA CN(C)c1ccc(CN2CCn3nc(CN4CCN(C)[C@H](CO)C4)cc3C2)cn1 106952154 WCYPNWGPPVJHKQ-FQEVSTJZSA-N 399.543 0.468 0 50 GCAA O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1c(=O)c(O)nc2ccccc21 170625112 PZMSMPUBIFAEMK-UHFFFAOYSA-N 398.419 0.538 0 50 GCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[C@H](N)C2)CC1 237342729 MXJYKKCVFDHRMU-CABCVRRESA-N 380.514 0.761 0 50 GCAA 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 247302521 FGRJPSMYCYTGIC-MSZZSSTLSA-N 397.456 0.597 0 50 GCAA CC(C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252523002 BPZIHVOQIIUTND-ZIAGYGMSSA-N 391.424 0.953 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2NCCc3nc[nH]c32)cc1 827785152 FKXFUDGYXZLASW-MRXNPFEDSA-N 377.470 0.390 0 50 GCAA Cc1noc(-c2ccc(S(=O)(=O)NCCS(=O)(=O)N(C)C)o2)c1C 1506428146 NFJIPSFXPCADDI-UHFFFAOYSA-N 377.444 0.721 0 50 GCAA Cc1cnn([C@@H](C)C(=O)N2CCCN(C(=O)CCC3=NNC(=O)CC3)CC2)c1 1529091704 PIPMOIBEWCLGCX-HNNXBMFYSA-N 388.472 0.860 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@H]2O)n[nH]1 1704299751 SBOINTBMJOVNAV-CZUORRHYSA-N 383.408 0.450 0 50 GCAA CN(C)CC(=O)N1CCC2(CCC[C@@H]2NC(=O)c2cnc(C(N)=O)cn2)CC1 1857678502 ZDXLEHSYXHBHDJ-HNNXBMFYSA-N 388.472 0.028 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2c2cnn(C)c2)CC1 1857682193 RQPQKPXUDJWEFM-ROUUACIJSA-N 387.488 0.363 0 50 GCAA CC(=O)N1CCC(N[C@@H]2CN3CCCC[C@@]3(C(=O)NCc3ncc[nH]3)C2)CC1 1857684560 SNOLINGYOCJONA-PXNSSMCTSA-N 388.516 0.623 0 50 GCAA CNC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)CC2 1875250387 UODYXQFJMOXUPS-CYBMUJFWSA-N 385.399 0.893 0 50 GCAA O=C(N[C@@H]1CC[C@H](C(=O)NCCN2CCOCC2)C[C@H]1O)c1ccc(O)cc1 2100545368 RCPRPKOENXMYFW-CGTJXYLNSA-N 391.468 0.100 0 50 GCAA CC1(C)Cc2c(sc(NC(=O)C(=O)NC[C@H]3CCCO3)c2C(N)=O)CO1 6755507 GJWWTIRKSZPFBT-SECBINFHSA-N 381.454 0.932 0 50 GCAA CC(C)CCN[C@H]1CCc2c(c(C(=O)NCCN3CCOCC3)nn2C)C1 14535756 IVBBZMFNRRRYJU-INIZCTEOSA-N 377.533 0.975 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCSC)c1OC 15076443 NSAHXFXGHQFNOP-CQSZACIVSA-N 381.498 0.874 0 50 GCAA CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 20722664 ZVUMJUUGUFRSMK-OAHLLOKOSA-N 387.436 0.940 0 50 GCAA COc1cccc([C@H]2CCCN2C(=O)Cn2nnnc2CN2CCOCC2)c1 23379611 AWBFQTLFAIVHLA-QGZVFWFLSA-N 386.456 0.878 0 50 GCAA CC(C)Cc1nnc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)s1 61719445 BCKFODLMSOTJDG-UHFFFAOYSA-N 378.458 0.769 0 50 GCAA Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)sc1C 67770790 OXFJYCBPBDCAAC-INIZCTEOSA-N 394.541 0.989 0 50 GCAA Cc1c(C(=O)N2CCC[C@H](N)C2)cc(Br)cc1S(N)(=O)=O 158168401 YWGLMHAURPQTFA-JTQLQIEISA-N 376.276 0.968 0 50 GCAA CCOc1nc(C)ccc1C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 276814071 MNTRSOPTJPQUQX-UHFFFAOYSA-N 380.430 0.054 0 50 GCAA COCC(=O)N1CC[C@@H](NC(=O)c2c(C)c3cc(F)ccc3n2C)[C@H](O)C1 299782799 WMHBYKWNZWINAS-GDBMZVCRSA-N 377.416 0.964 0 50 GCAA CN1CC(=O)N(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)C1=O 363632129 XXYNWJSMGRXONF-UHFFFAOYSA-N 384.396 0.732 0 50 GCAA CCN1CCC(CNC(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)CC1 864793851 GAYLWJRTJXJVIM-HNNXBMFYSA-N 390.488 0.820 0 50 GCAA O=C([C@H]1CN(CC2(O)CCC2)C[C@@H]1C(F)(F)F)N1CCS(=O)(=O)CC1 888103425 ZUBPKNQIZHSEFA-RYUDHWBXSA-N 384.420 0.269 0 50 GCAA Cc1noc(-c2ccc(S(=O)(=O)N3CCN4CCNC(=O)[C@@H]4C3)o2)c1C 1506418860 UGYJPXMBGDFBHV-LBPRGKRZSA-N 380.426 0.356 0 50 GCAA O=C(Cn1cnnn1)N1CCCN(Cc2cnc(N3CCCC3)s2)CC1 1529112606 OZRPRAWGGJUENT-UHFFFAOYSA-N 376.490 0.464 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C[C@@H]1O 1529178819 PTRNUHCIVVWTEB-NHYWBVRUSA-N 398.460 0.345 0 50 GCAA CS(=O)(=O)NCCC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704353185 KEYMCTMCGSKLKS-RHSMWYFYSA-N 377.466 0.536 0 50 GCAA COc1cncnc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1875278959 IOIHCQGNINNUOZ-WPRPVWTQSA-N 397.379 0.771 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCS(=O)(=O)CC1 1937046404 OWMYMBSTNXEZEX-UHFFFAOYSA-N 376.434 0.835 0 50 GCAA O=C(NCc1ccnc(CNC(=O)[C@H]2CCCO2)c1)c1n[nH]c2c1COCC2 2100473687 UZDOJKOWARSDPK-MRXNPFEDSA-N 385.424 0.603 0 50 GCAA Nc1cc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)ncn1 2100543570 VJXCYPABVRJEMA-UHFFFAOYSA-N 383.456 0.875 0 50 GCAA CO[C@@H]1COC[C@H]1S(=O)(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F 2325819997 XJLHDRLJYPKULV-CYZMBNFOSA-N 385.360 0.952 0 50 GCAA NCC[C@H]1CCCCN1C(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325895810 KMOFQWCDFAMOEP-DYVFJYSZSA-N 398.463 0.791 0 50 GCAA NCC[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896842 IOCBQWXKHJVWNY-NVXWUHKLSA-N 398.463 0.791 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCn2cccn2)cc1C 12713976 HIQNUWZYSLPLJE-QGZVFWFLSA-N 385.468 0.707 0 50 GCAA CS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@@H]3COCCN3)CC2)c(F)c1 72170356 FVJNAFSRFXXSSA-CYBMUJFWSA-N 385.461 0.256 0 50 GCAA Cc1cn2c(=O)cc(CN3C[C@H]4CC[C@@H]3CN(S(C)(=O)=O)C4)nc2s1 95352664 WALDMHZNJFPBEI-TZMCWYRMSA-N 382.511 0.920 0 50 GCAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1ccnc(-n3cnnc3)c1)CCN2C 95497608 USTNNQVSKQCZSG-LJQANCHMSA-N 383.456 0.431 0 50 GCAA CNC(=O)CN(C)Cc1cc(OC)ccc1OC[C@H](O)CN1CCC(O)CC1 95506963 WEWNSLZSDGUWJK-QGZVFWFLSA-N 395.500 0.069 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C(=O)c1cc(C)ccc1C 96151665 OXGFMBLMLYGKQV-RDJZCZTQSA-N 375.469 0.863 0 50 GCAA O=C(CCn1c(CO)nc2ccccc21)NCCS(=O)(=O)N1CCCC1 97425410 WYLIVPJIJAPQGF-UHFFFAOYSA-N 380.470 0.461 0 50 GCAA Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](CN)C2)c1 215158037 FBXGPVCQURPZJK-CQSZACIVSA-N 391.497 0.362 0 50 GCAA O=C1CN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)CCN1 245255621 JHDLQRUVHHIWKP-SHTZXODSSA-N 379.482 0.730 0 50 GCAA CC1CCN([C@H](C)C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 299755950 FKRDHOHNOXDOFY-CQSZACIVSA-N 383.518 0.395 0 50 GCAA CC(=O)N1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)no2)C[C@H](O)C1 584900433 WBTDIZZEUDASSZ-CQSZACIVSA-N 377.376 0.610 0 50 GCAA Cc1cc(C)n(CCCNC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 670459272 NLYQTKMLZDDSDI-QGZVFWFLSA-N 382.530 0.905 0 50 GCAA O=C1C[C@H](C(=O)N2CCCN(c3ncccn3)CC2)CN1Cc1cccnc1 827763044 DFJQGBPPRIPGDQ-KRWDZBQOSA-N 380.452 0.959 0 50 GCAA COc1nnc(NC(=O)N[C@@H]2CC[C@@H](N3CCN4C(=O)CC[C@H]4C3)C2)s1 886066035 NAQXBRSKFOUXIB-UTUOFQBUSA-N 380.474 0.896 0 50 GCAA COc1ccnc(N2CCCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)n1 1772805352 LUQNDXQDXYGPSO-UHFFFAOYSA-N 380.412 0.813 0 50 GCAA O=C(C1CCCC1)N1CCC(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857688580 RKVFVXYVJZZKLC-DYESRHJHSA-N 391.512 0.905 0 50 GCAA Cc1nc(C2CCN(S(=O)(=O)CC[C@H]3CCS(=O)(=O)C3)CC2)no1 1857703512 SYXXOXBXROSUKB-GFCCVEGCSA-N 377.488 0.712 0 50 GCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1 1857737505 PPUWHJVXTQZKDA-BNOWGMLFSA-N 384.454 0.462 0 50 GCAA Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccccc2Cl)n(C)c1=O 625431 GKHJYNKQLMGTOC-UHFFFAOYSA-N 389.843 0.972 0 50 GCAA biogenic COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 13814369 WBFXDOKKWYNDAV-UHFFFAOYSA-N 387.371 0.751 0 50 GCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Br)cc3)CN2C1=O 14733448 LIJBDIDPNJPXKA-ZBPZKIAKSA-N 396.241 0.028 0 50 GCAA CCCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1 65362985 MJOHPZUETBJIDV-UHFFFAOYSA-N 383.518 0.874 0 50 GCAA CN(CC(=O)O)C(=O)C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 71764641 UBZIEABHSDIEHV-AWEZNQCLSA-N 391.424 0.289 0 50 GCAA COc1ccc(NC(C)=O)cc1NC(=O)NCCN1CCC[C@H](C(N)=O)C1 95513371 JPNSWKZBONDFRV-ZDUSSCGKSA-N 377.445 0.972 0 50 GCAA O=C(N1CCN(CCCOc2ccc(F)cc2)CC1)C12CNCC1CNC2 96150804 WLQAANARFUGUHS-UHFFFAOYSA-N 376.476 0.548 0 50 GCAA Cc1nc2[nH]cc(C(=O)N3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)c(=O)n2n1 102789248 TXLIODSHZHWLOS-QWHCGFSZSA-N 380.412 0.257 0 50 GCAA O=C(O)CC[C@@]1(CCC(=O)N2CCCN(c3ncccn3)CC2)CCC(=O)N1 219693792 YUYNZWBCFWJZMD-IBGZPJMESA-N 389.456 0.809 0 50 GCAA COC(=O)c1cc(Br)c(S(=O)(=O)N2CCNC(=O)[C@H]2C)s1 225419163 RNYOPBLVLQNZDT-ZCFIWIBFSA-N 397.272 0.806 0 50 GCAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3c(Cl)cnn3C)C2=O)n(C)n1 225480291 XCXFBVDDAIZDDQ-LLVKDONJSA-N 386.865 0.589 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(C(=O)c3ccc4[nH]cnc4c3)C[C@H]2C1 247527528 NOCCBWILTIPECG-GUYCJALGSA-N 378.454 0.421 0 50 GCAA C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 248037926 RUIZEDNNGPMXET-LOWVWBTDSA-N 381.454 0.852 0 50 GCAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)C2)n1 328613568 SIXCSBTVMMZZGF-CQSZACIVSA-N 383.817 0.961 0 50 GCAA CCS(=O)(=O)NCCS(=O)(=O)N1CCC2(C1)Oc1ccccc1O2 377285979 MBJBXFDKGDSXJT-UHFFFAOYSA-N 376.456 0.129 0 50 GCAA Cn1ncc(-c2ccccc2)c1NC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1073327063 RJFNBSDJBYHHMG-CABCVRRESA-N 375.454 0.690 0 50 GCAA Cc1c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cnn1-c1ccccn1 1704300294 RNICYIVAWSNKFP-ZFWWWQNUSA-N 393.469 0.212 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)N2CCC(Cn3cccn3)CC2)C1 1857686629 AEUYYAAOPLTGCB-OAHLLOKOSA-N 375.516 0.750 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCC(c4nncn4C)CC3)CC2=O)s1 1857741364 PBXSGGZABGQKLN-LBPRGKRZSA-N 389.485 0.988 0 50 GCAA CCOCCNC(=O)[C@@]12CCCCN1C[C@@H](NC(=O)c1nsnc1C)C2 1875249174 JQWYRWFDBPYLSR-GUYCJALGSA-N 381.502 0.726 0 50 GCAA O=C1NCCn2c(CCNC(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)F)nnc21 1875278538 IWLCPECWOQJEQW-BXUZGUMPSA-N 391.378 0.565 0 50 GCAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2nc3ncccn3n2)cc1OC 2100480340 DYPCVOWYFHFWJN-HOTGVXAUSA-N 399.407 0.716 0 50 GCAA Cn1c(O)ncc(CC(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1=O 2100480932 UWJUFKAVRPDSGG-CRAIPNDOSA-N 394.431 0.639 0 50 GCAA O=C(C(=O)N1C[C@]23CCCC[C@]2(C1)CS(=O)(=O)C3)N1CCC2(CCN2)CC1 2325774466 IFTUGXDIDUACBW-ROUUACIJSA-N 395.525 0.158 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc3c(c2)CCN3)ncn1 2325801658 RAPNXRMEKQSWOP-HZPDHXFCSA-N 382.468 0.880 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@H](C(=O)O)C4)ccc3C2=O)C(=O)N1 2325896131 RSXZPLLQWCIUFQ-WFASDCNBSA-N 399.403 0.384 0 50 GCAA CCS(=O)(=O)N1CCO[C@@H]2CC[C@H](C(=O)NCCc3ccncc3)C[C@H]21 2356148189 LHYPSJFDKUYAEA-GVDBMIGSSA-N 381.498 0.960 0 50 GCAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCN(c3cccc(C)n3)CC2)nn1 12373554 PHEZSDXTYPOUKL-UHFFFAOYSA-N 385.472 0.812 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(C)cc3C(=O)O)CC2)cc1 20614917 DJIBLZAAGUYXNK-UHFFFAOYSA-N 392.437 0.573 0 50 GCAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCN(c2cnn(C)c(=O)c2)CC1 63856988 DOCMRHHAMKYTPP-KRWDZBQOSA-N 376.388 0.876 0 50 GCAA CCn1c([C@@H]2CCCN(Cc3ccc(S(=O)(=O)NC)cc3)C2)n[nH]c1=O 67947702 QRUCYTNWHDEQMV-CQSZACIVSA-N 379.486 0.879 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCN(C)CC3)[C@H]4C2=O)c1 77355700 MXQGGJVTFUUFGK-WEMPKCCASA-N 397.475 0.751 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc1 91830099 PNVFTEPCIBDJBW-HZPDHXFCSA-N 381.498 0.500 0 50 GCAA CC(C)(C(=O)O)c1cnc(NCCN2CCOCC2)nc1N1CCOCC1 96139319 JGJQTICBGGXZTP-UHFFFAOYSA-N 379.461 0.420 0 50 GCAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 194226812 VWKKNDTXPVJQJH-YMTOWFKASA-N 393.241 0.800 0 50 GCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 332799702 QISRZUKFHFGMPQ-KBPBESRZSA-N 375.491 0.438 0 50 GCAA Cc1c[nH]ccc1=NCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 827801721 WVMSHCZURAXMKY-LJQANCHMSA-N 381.480 0.731 0 50 GCAA NS(=O)(=O)c1ccc(CCNc2nccc(N3CCC[C@H](O)C3)n2)cc1 1529119073 BBXYSSVXLOZOCN-AWEZNQCLSA-N 377.470 0.740 0 50 GCAA Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc2c3c(c(=O)oc12)CCCC3 1857525472 HRYHUWQMTPEFOJ-QOSLBHJFSA-N 392.404 0.159 0 50 GCAA CNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)NCCCc2nc3ccccc3[nH]2)C1 1857690381 JORHRZRBFCIZBU-JLTOFOAXSA-N 385.468 0.306 0 50 GCAA O=C(Cc1cc[nH]n1)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2ccncc2)C1 1875249738 VRGUOBBWQTUDGS-PXNSSMCTSA-N 382.468 0.777 0 50 GCAA CC(C)[C@H](CNC(=O)CCCn1cncn1)NC(=O)[C@@]1(C)CCCCNC1=O 1875345658 FFWLGSCCQNTIAL-KXBFYZLASA-N 392.504 0.622 0 50 GCAA Nc1ncnc2c1ncn2[C@@H]1CCN(C(=O)C2(CCS(N)(=O)=O)CCC2)C1 1875353401 RNJCVCUWBCJONO-LLVKDONJSA-N 393.473 0.031 0 50 GCAA Cc1ccnc(N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCOCC4)n3)C2)n1 1875393359 LLBILIQPXVXZNT-MRXNPFEDSA-N 381.484 0.947 0 50 GCAA COC1CCN(C(=O)[C@H]2CC[C@H](NC(=O)CCn3cccn3)[C@@H](O)C2)CC1 1940195992 AVRPGCBZDVLUEM-XIRDDKMYSA-N 378.473 0.556 0 50 GCAA COc1nccnc1N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)CCO 2100556229 JFNDASLAYVOPLK-VWFIUDSGSA-N 398.463 0.565 0 50 GCAA CCNC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)cn1 2325793609 ALJWAFCFLDHRPG-HOTGVXAUSA-N 387.484 0.879 0 50 GCAA CCOC(=O)[C@H](NC(C)=O)[C@H](OC(C)=O)c1cccc(N(CCO)CCO)c1 4719021 CKZSAKZEWIMIET-QZTJIDSGSA-N 396.440 0.150 0 50 GCAA COC(=O)CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC 12577385 MTFZGSWBUWXBQT-HNNXBMFYSA-N 377.441 0.455 0 50 GCAA CCn1cc(CN[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c(C)n1 14539990 ZKGWFCWHZGZWFL-UHOSZYNNSA-N 397.479 0.717 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC(C)(C)C(=O)O)CO2 71747541 BMBOJOKIJNMQMQ-CYBMUJFWSA-N 393.440 0.630 0 50 GCAA Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 91643668 ZNJWNBSAAGSBLX-YALNPMBYSA-N 377.485 0.781 0 50 GCAA CNC(=O)[C@H](NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C(C)C 183642668 LXXKRBRROAAHJD-HXUWFJFHSA-N 388.512 0.626 0 50 GCAA CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCNCC3)c2)CCO1 215407036 WOCAGPOMMJSBCM-MRXNPFEDSA-N 381.498 0.922 0 50 GCAA CCCN1C(=O)N[C@@H](CC(=O)N2CCN(c3ccc4nccn4n3)CC2)C1=O 215819503 MVIKDNAZCSJLQS-ZDUSSCGKSA-N 385.428 0.098 0 50 GCAA COCCn1nnnc1[C@H]1CN(Cc2cc(C(N)=O)oc2C(C)(C)C)CCO1 244734537 NHNGFGAEZLRIDL-CQSZACIVSA-N 392.460 0.882 0 50 GCAA CC(=O)Nc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@@H]2NC(C)=O)cc1 247947856 PJSMXMPNIZDGFY-MDMSPXHWSA-N 394.424 0.766 0 50 GCAA Cn1ccc2c(NC(=O)C(=O)N3CCO[C@]4(CCCOC4)C3)cccc2c1=O 408159527 QEQLHEUYYAJANE-HXUWFJFHSA-N 385.420 0.885 0 50 GCAA COc1ccc(CNC(=O)CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1 863550181 OXEJQLBYUBZPNZ-MSOLQXFVSA-N 388.468 0.568 0 50 GCAA COCCN(CCOc1ccccc1F)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952972627 GGSXCRFQYOYMAO-CYBMUJFWSA-N 395.474 0.670 0 50 GCAA CCOCC(=O)N1CCC(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)CC1 1076119095 KYSAFXPRBWMOQI-CVEARBPZSA-N 377.445 0.225 0 50 GCAA Cc1ccc(OCCN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc1C 1565517072 CNGPIENJLFFJEF-YJBOKZPZSA-N 382.482 0.960 0 50 GCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(C)nc3c1c(O)nc(=O)n3C)C2 1857672383 AWQMOPRVWWTVFG-GOSISDBHSA-N 387.396 0.399 0 50 GCAA COCCN(C)C(=O)[C@]12CCCCN1C[C@@H](NC1CCN(C(C)=O)CC1)C2 1857691572 QLJCSCPJWGFPJO-AZUAARDMSA-N 380.533 0.689 0 50 GCAA Cn1cc(S(=O)(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)cn1 1857721163 CJBZASGWZLXFGE-JZXOWHBKSA-N 388.449 0.883 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCN(C)CC2)CC[C@@H]1NC(=O)c1ncc[nH]1 2100540754 OPSXOWKILRUUIU-JYJNAYRXSA-N 377.489 0.877 0 50 GCAA CC(=O)N[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H]1c1nccn1C 2325782644 QJLZXVLVLZGSGW-IAGOWNOFSA-N 393.451 0.804 0 50 GCAA C[S@](=O)(=NC(=O)[C@@]12COC[C@@H]1C2)c1cnn2c1CN(C(=O)C1=CCC1)CC2 2325784675 BLSBFZSTKCKYDW-LKZCTYKCSA-N 390.465 0.965 0 50 GCAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)Cn2cnnn2)CC3)cn1 91712984 BILAFIFIQYXNBU-UHFFFAOYSA-N 384.444 0.203 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)n(C)c1)CC2 95501718 JZVFVWWEZJLSLT-UHFFFAOYSA-N 399.451 0.271 0 50 GCAA CCCn1cc(CN2CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC2)cn1 225580181 SLOHFPBYZLYMFF-OAHLLOKOSA-N 385.534 0.607 0 50 GCAA COc1ccc(CCCN2C(=O)O[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]32)cc1 247959559 PZOVMQSNAKVWBL-CVEARBPZSA-N 383.470 0.939 0 50 GCAA O=C1N[C@H](CC(=O)N2CCN(c3cnccn3)CC2)C(O)=Nc2ccccc21 252540606 PRAYJOHLQJAVPI-OAHLLOKOSA-N 380.408 0.916 0 50 GCAA CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccn(-c2ccc(F)cn2)n1 952852283 BCGKGEQNXBTUHO-LBPRGKRZSA-N 398.420 0.188 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCCN(C2Cc3ccccc3C2)CC1 1857678584 OGYOLHAWEBRWSY-UHFFFAOYSA-N 378.440 0.701 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1cnc(C2CC2)nc1 1857695979 GUZAEMDHKYGWFL-NHAGDIPZSA-N 379.486 0.601 0 50 GCAA COc1ncccc1CN1C[C@@H]2COC[C@]2(C(=O)NCCCn2cccn2)C1 1857699475 QDEKLIQWKARBBC-YLJYHZDGSA-N 385.468 0.942 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CCc3ccc(O)nn3)CC(=O)N21 1857731253 DUGLHHONVZWGTQ-IHRRRGAJSA-N 376.413 0.126 0 50 GCAA CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C)c1ncc(C(=O)O)c(O)n1 1875346144 USSCRRPERFZLGQ-QMMMGPOBSA-N 383.430 0.778 0 50 GCAA COc1cc(-c2cc(=NC(=O)CNS(C)(=O)=O)[nH][nH]2)cc(OC)c1OC 2100557372 QUNOABDFAJJVOL-UHFFFAOYSA-N 384.414 0.012 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NC[C@@H]4CCCCCN4)cccc3C2=O)C(=O)N1 2325895714 HJDXFMVYFKGBLB-SUMWQHHRSA-N 398.463 0.710 0 50 GCAA Cc1ccnc(OCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 72436927 GNGGLGGQCFDSJI-UHFFFAOYSA-N 399.455 0.139 0 50 GCAA CCn1ccc(C(=O)N2CCOC[C@@H]2CC(=O)NCC(F)(F)F)cc1=O 72475879 RFCZZTBVBFXCMU-LBPRGKRZSA-N 375.347 0.778 0 50 GCAA Cc1ccnc(NCCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)c1 91643274 FOXITCSUUZSXDW-HZPDHXFCSA-N 375.473 0.003 0 50 GCAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1)c1n[nH]c(=O)[nH]1 95366243 JISKUQVJABQFSY-LLVKDONJSA-N 379.442 0.764 0 50 GCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)CN1CC(=O)N(C)c2ccccc2C1=O 95501537 CIZWFNLVBCSIFV-KGLIPLIRSA-N 384.436 0.327 0 50 GCAA Cn1ncc(N2CCN(C(=O)Cn3c(=O)ccc4ccccc43)CC2)cc1=O 95501596 OEKWBANONJFKFC-UHFFFAOYSA-N 379.420 0.444 0 50 GCAA Cn1nc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1=O 188968565 KPIHNEFDTCYECW-HNNXBMFYSA-N 376.363 0.980 0 50 GCAA O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccn1 206233889 WMSAKTRKDYJMFG-OAHLLOKOSA-N 396.403 0.980 0 50 GCAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)N[C@H]3CCN(C)C3=O)c2)CC1 215036621 UIEALZFTXMIAOS-INIZCTEOSA-N 377.466 0.988 0 50 GCAA CNS(=O)(=O)NC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 225518562 VBUPXTQGCGGTMQ-ZDUSSCGKSA-N 386.493 0.691 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(Cc3ccc(C(=O)O)cc3)C[C@H]2C1 247985292 YTMKWIOXMLZAKT-WMZOPIPTSA-N 397.497 0.450 0 50 GCAA COCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)OC 292263344 VYHOBSZJAWVRLQ-IRXDYDNUSA-N 375.425 0.909 0 50 GCAA CN1C(=O)c2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)cc2C1=O 333400307 INMGSHRSGPOTOG-CQSZACIVSA-N 398.462 0.110 0 50 GCAA CNC(=O)Cc1csc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1 334160806 MTYZQXWAYJZXNL-LBPRGKRZSA-N 387.421 0.511 0 50 GCAA CC(C)OCCS(=O)(=O)NCC(=O)N1CCCN2c3ccccc3C[C@@H]2C1 365595111 KXINIFWYHPATIY-QGZVFWFLSA-N 395.525 0.994 0 50 GCAA C[C@H]1COCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 371098570 HPHCEHYJCSNFSR-OAHLLOKOSA-N 399.488 0.627 0 50 GCAA COCCN1C[C@H](C(=O)N2CCN(Cc3ccccc3CO)CC2)CCC1=O 824412367 IXKVRDOEHXRWAI-GOSISDBHSA-N 389.496 0.708 0 50 GCAA OCC1(CO)CC(n2cnc3c(N4CCO[C@@]5(CCCOC5)C4)ncnc32)C1 888097941 USSYCWPICNJHTR-IBGZPJMESA-N 389.456 0.518 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1F 1704302415 KCKWUUVGSOSHRT-FZMZJTMJSA-N 380.463 0.319 0 50 GCAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)C[C@@H]1O 1704327327 BPRGLJFQAWHPFJ-YOEHRIQHSA-N 384.454 0.673 0 50 GCAA COCCC(=O)N1CCC[C@@]2(C(=O)NCCn3nccc3C)CCN(C)C[C@H]12 1775977672 JQNXZVXWMPIPFH-FXAWDEMLSA-N 391.516 0.657 0 50 GCAA Cn1cc(Br)c(=O)c(C(=O)N[C@H]2C[C@H](Cn3cccn3)C[C@@H]2O)c1 1857530949 CKHMXVNNCDKTNJ-BPNCWPANSA-N 395.257 0.914 0 50 GCAA NC(=O)c1noc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(C[C@H]3CCOC3)CCO2)n1 1857701596 WPCOZLIBHRQRSG-CUYVQJCZSA-N 391.472 0.403 0 50 GCAA COc1cccc(-c2noc(CCCC(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)n2)c1 1875250513 HFTXLCIOCAGSBV-DTTOXWODSA-N 389.408 0.711 0 50 GCAA C[C@H](NCc1cccc(C(N)=O)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 1875258721 REUYXCRSZRMPQH-AWEZNQCLSA-N 384.436 0.841 0 50 GCAA CC(CO)(CO)Cn1cnc2c(N3CCC[C@H](CCC(N)=O)C3)ncnc21 1875269131 HTGPXMRMCAUMCV-CYBMUJFWSA-N 376.461 0.299 0 50 GCAA C[C@H](NC[C@H]1C[C@@H](O)CN1c1cc(N(C)C)ncn1)c1cnn2ncccc12 1875399633 GCQMIFARLAUHFK-RRFJBIMHSA-N 382.472 0.876 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN(C)CC[C@@H]3O)CC2)cc1 2100537607 RMVYSCPUGPNGGT-SJORKVTESA-N 381.498 0.141 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCC(=O)OC)CC[C@H]1NC(=O)c1nccn1C 2100556682 OWISUOBILAXVNF-BFHYXJOUSA-N 380.445 0.403 0 50 GCAA NC(=O)c1nccnc1C(=O)N[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2325873095 ZCYSACYPKKKDCO-HHHUOAJASA-N 393.394 0.634 0 50 GCAA O=S(=O)(NCc1cccc(I)c1)N1CCOCC1 4839983 BSLZBNMLYJXBRA-UHFFFAOYSA-N 382.223 0.958 0 50 GCAA CCCCN1CCN([C@H](C(=O)NCc2n[nH]c(C)n2)c2ccccc2)C(=O)C1=O 77376756 FJGNWDMNOMREKI-KRWDZBQOSA-N 398.467 0.942 0 50 GCAA Cc1nc(N(C)C)ncc1C(=O)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91574232 PRDKBXALNAGPFL-AEFFLSMTSA-N 391.516 0.786 0 50 GCAA O=C(CCCn1nnnc1CN1CCOCC1)NCc1ccc2nonc2c1 95511767 BYQZYWIMIDVTRL-UHFFFAOYSA-N 386.416 0.138 0 50 GCAA CCC(=O)N1CCN(S(=O)(=O)c2cc(C)cs2)[C@H]2CS(=O)(=O)C[C@H]21 95522706 KOHYKSSEWWHERU-NEPJUHHUSA-N 392.524 0.465 0 50 GCAA CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 95828715 VEGGTWZUZGZKHY-GJZGRUSLSA-N 379.461 0.034 0 50 GCAA in-vitro COC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1 97447018 IXUCZRLBWYZXKA-INIZCTEOSA-N 381.498 0.922 0 50 GCAA C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN([C@H]3CCS(=O)(=O)C3)CC1)C2=O 241132989 JNVMBQNYIGYEGA-VKJFTORMSA-N 398.529 0.249 0 50 GCAA CC(=O)N[C@@H]1[C@H](OCc2ccc(Cl)cc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O 245231362 CIHDSPCYFDFWRF-GZBLMMOJSA-N 380.224 0.454 0 50 GCAA O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@@H](C(=O)O)[C@H]1CCCOC1 262726234 GOLKEGCORQYPDQ-XHDPSFHLSA-N 388.417 0.490 0 50 GCAA Cc1c(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nnn1-c1ccc2ncccc2c1 370622251 MCWLFBZIIUITID-IRXDYDNUSA-N 392.419 0.853 0 50 GCAA O=C(NCCSc1nc2ccccc2o1)c1cc2n(n1)C[C@@H](O)CNC2=O 426517705 YMNFDTGGSNOMOF-JTQLQIEISA-N 387.421 0.651 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2ccc4nsnc4c2)[C@@H]3C1=O 670450272 JLBRANIHUWVJPW-AFIMGQEJSA-N 387.465 0.272 0 50 GCAA O=C(N[C@@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@H]1O)c1ccc2c(c1)OCO2 1857667073 UBPSGQNAWKHWTM-HUUCEWRRSA-N 386.408 0.463 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1cncnc1O 1857696599 IQFKOJHEGQLXCL-QWRGUYRKSA-N 376.394 0.136 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CN2CCOC2=O)cn1 1857734272 GZSCEZHVAHXPQG-WMZOPIPTSA-N 391.472 0.627 0 50 GCAA COCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cn2c(n1)CCNCC2 1857738646 RAVWDRZFAZUZDN-UHFFFAOYSA-N 381.440 0.700 0 50 GCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(c2nc3nc(C)ccc3o2)CC1 1857740554 JOWIKIMJLLARSY-KGLIPLIRSA-N 388.424 0.882 0 50 GCAA CC[C@](C)(O)c1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355672 DPLXRVOWOQASHA-LIRRHRJNSA-N 383.408 0.646 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cnn(-c4ccccc4)n3)C2)cc[nH]1 2325785179 HSFVABIDABEWRK-SJORKVTESA-N 380.456 0.514 0 50 GCAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3cccs3)C[C@H]12 4260260 FFPSGWKPTOOEMD-LSDHHAIUSA-N 385.445 0.848 0 50 GCAA biogenic CN(CCCCN1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 11844424 JVUXJAWYMBZPDW-QGZVFWFLSA-N 382.549 0.794 0 50 GCAA Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1C 19740518 BBHQVIHMNQJPJV-QGZVFWFLSA-N 396.495 0.848 0 50 GCAA O=C(NCC[C@H]1COc2ccccc2O1)c1cn(CCN2CCOCC2)nn1 19835636 QCAJLBPODSULGI-HNNXBMFYSA-N 387.440 0.570 0 50 GCAA CC(C)CN1CCN(C(=O)c2nnc3n2CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 72478799 ZASGIZFNXWMTHX-KGLIPLIRSA-N 381.502 0.194 0 50 GCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 91270464 ICZUHUAKFRQVIS-HXUWFJFHSA-N 388.468 0.555 0 50 GCAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CCNS(C)(=O)=O 223090228 WUFMBFCSNCUOTP-ZIAGYGMSSA-N 375.447 0.021 0 50 GCAA O=C1CCc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCNCC4)C3)c(F)cc2N1 262047016 GYHDKXIAVXDOSG-CQSZACIVSA-N 388.443 0.994 0 50 GCAA CCN(CC(=O)O)C1CC(NC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc23)C1 262714605 MWTNQIIWJIDWEF-HIFPTAJRSA-N 387.440 0.735 0 50 GCAA O=C(c1ccn(Cc2ccccc2)n1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 329997033 PVRVOGUWQHJUET-QGZVFWFLSA-N 388.493 0.876 0 50 GCAA CCCn1cc(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c(C)n1 534631112 DUACICMXKHTJCR-UHFFFAOYSA-N 380.474 0.503 0 50 GCAA COc1ccc2c(c1)cc(C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C)n2C 1704342826 FJAIJSMFQSXWOY-ZFWWWQNUSA-N 395.481 0.823 0 50 GCAA Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCN2CCOCC2)cc(C)n1 1857689261 LKOYNVCNCPYCSR-OALUTQOASA-N 386.496 0.775 0 50 GCAA Cc1ocnc1C(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCCO)[C@@H]2CC(C)C)C1 1857726256 ZJEKHAJUMHIOBY-KKUMJFAQSA-N 392.456 0.179 0 50 GCAA Cn1cc(CN[C@@H]2CCCN(CCN3CCOCC3)C2)c(-c2ccnn2C)n1 1875283850 FJLVNXSMFIMKLX-GOSISDBHSA-N 387.532 0.707 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(NC3CC3)nc1)C2 1875395514 CXUIDWVVLBBEDO-CYBMUJFWSA-N 378.454 0.031 0 50 GCAA O=C(CCc1ccncc1)N[C@@H]1C[C@H](C(=O)NCCCn2ccnn2)C[C@H]1O 1940196000 BUUUDXQOKVXLMH-GVDBMIGSSA-N 386.456 0.068 0 50 GCAA COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3Cl)C[C@H]21 2100473648 RJEHSZHQTCKIQN-ZEDHKUJTSA-N 378.812 0.774 0 50 GCAA CCn1cncc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)cc(C)o2)C1 2100556436 NIPNTMATRCTMPJ-APHBMKBZSA-N 388.424 0.350 0 50 GCAA CNC(=O)c1cc(NC(=O)[C@H](Cc2ccco2)C(=O)OC)cc(C(=O)NC)c1 2325872494 ADYREBMYYUZORU-HNNXBMFYSA-N 387.392 0.969 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)NCC(F)(F)F)cc3C2=O)C(=O)N1 2325886674 DVURUHKCJPODSK-GFCCVEGCSA-N 398.341 0.809 0 50 GCAA CC1(C)CN(C(=O)CNc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)C1 2325896864 JDIPDNWVQJTNDM-ZDUSSCGKSA-N 398.419 0.368 0 50 GCAA CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCN(c2ccccc2F)C[C@@H]1C 2332238098 ZDJAKKYHNHBMNN-JGGQBBKZSA-N 397.472 0.412 0 50 GCAA NS(=O)(=O)C1CCN(C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)CC1 2356144011 GOTGMEWORKFEBV-UHFFFAOYSA-N 399.538 0.793 0 50 GCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 2356165141 VKEDCRALPQFJNR-DJJJIMSYSA-N 379.409 0.903 0 50 GCAA O=C(c1ccc2ccccn12)N1CCCN(S(=O)(=O)N2CCOCC2)CC1 2356165223 YVGYBILEWHKIFF-UHFFFAOYSA-N 392.481 0.664 0 50 GCAA O=C1CCC(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCC3CC3)C2)=NN1 14543273 FAONMJXKACNNDL-INIZCTEOSA-N 399.451 0.314 0 50 GCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cn(C)nc3-c3ccccc3)CN2C1=O 14732225 ULEARGHJYYHLIS-OSMBCOQSSA-N 383.452 0.025 0 50 GCAA NC(=O)NCCN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72129058 PJAAYDZILZONPJ-QGZVFWFLSA-N 389.500 0.666 0 50 GCAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCS(=O)(=O)CC2)[C@@H]3C1=O 77343194 BSPILFCVUUQJCD-MKSNKDDYSA-N 396.509 0.462 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 82134169 GSKMXVNFVBGPEQ-LBPRGKRZSA-N 395.441 0.348 0 50 GCAA O=C1NC[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)N1 91831036 VFNLWMHJHJIRQP-CQSZACIVSA-N 386.456 0.094 0 50 GCAA Cc1nc(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)n[nH]1 95518127 YSNNAPFOCHMWBR-MRXNPFEDSA-N 388.516 0.981 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(C)noc2C)CN1C1CCOCC1 97713445 DBTZWNQROUKMTI-YOEHRIQHSA-N 378.473 0.708 0 50 GCAA Cc1c(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)cnn1C 215887000 NYUJZOLWBFFTIE-OAHLLOKOSA-N 377.470 0.299 0 50 GCAA O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)cc1)N1CCCC1 908309610 VXWQVOHXJKVPFL-CABCVRRESA-N 392.474 0.565 0 50 GCAA COCCN1CCC(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC1 1772815354 IAVNPQIHNQTDAL-UHFFFAOYSA-N 380.533 0.502 0 50 GCAA O=C(Cc1cccnc1)N[C@@H]1C[C@@H](C(=O)N2CCc3nocc3C2)CC[C@H]1O 1857682001 FOVFTQDSQSUWET-BMGDILEWSA-N 384.436 0.843 0 50 GCAA O=C(N1CCOCC1)[C@]12COC[C@H]1CN(S(=O)(=O)Cc1ccccc1)C2 1857691812 YMVUMDUYTFTYLU-SJLPKXTDSA-N 380.466 0.324 0 50 GCAA Cn1ncc2c(N3CC[C@]4(CCN(C(=O)c5coc(C(N)=O)c5)C4)C3)ncnc21 1875303386 SFAHAJKGNFUBSN-IBGZPJMESA-N 395.423 0.798 0 50 GCAA CO[C@H](C)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 1875317675 HMHFPTOSIJPQPE-CQSZACIVSA-N 381.440 0.953 0 50 GCAA CN(C)Cc1cnn2c1CN(C(=O)C(=O)NCc1ccc3nsnc3c1)CC2 2325772069 VTHMRUBSOSDMJY-UHFFFAOYSA-N 399.480 0.608 0 50 GCAA COC(=O)C[C@@H]1CSC(NC(=O)[C@@H]2CCC(=O)N(CC(F)(F)F)C2)=N1 2325780113 HZADPCFAXISQLC-RKDXNWHRSA-N 381.376 0.938 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2ccnc2C)c1 12299070 KGMLOZWHMMKABB-SFHVURJKSA-N 385.468 0.707 0 50 GCAA COc1ccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c(OC)c1 20726487 IJMSERVECGQLFP-CYBMUJFWSA-N 375.425 0.781 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H](N)c3ccccc3)cc2C1 91859695 PXXICLOAEQNJGO-MRXNPFEDSA-N 377.470 0.365 0 50 GCAA CN1CCN(C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)C[C@@H]1CCO 95379755 AHPBKNPEBZRDKL-INIZCTEOSA-N 387.484 0.549 0 50 GCAA CC[C@H](CO)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 248132274 WUCYBWGNSSAMNF-CLCXKQKWSA-N 380.489 0.402 0 50 GCAA COc1ccc(N2C[C@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)CC2=O)cc1 262246852 PSIQBJGCDZPCNR-GXTWGEPZSA-N 391.424 0.486 0 50 GCAA O=C1NCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)[C@@H]1CCO 584891572 BRUWFBJNKYASIF-QGZVFWFLSA-N 378.448 0.683 0 50 GCAA COCCN1CCC(CN(C)S(=O)(=O)N2CCC[C@H](COC)C2)CC1 952974810 JZSOOJORGGKYFA-KRWDZBQOSA-N 377.551 0.880 0 50 GCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704314842 VZBUUGVFCKJOKC-KBPBESRZSA-N 384.454 0.273 0 50 GCAA CO[C@H]1C[C@@H](C(=O)NC2CCS(=O)(=O)CC2)CC[C@@H]1NC(=O)c1ccc[nH]1 1857684184 CBUYBLPTKDCZJV-NOLJZWGESA-N 397.497 0.622 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NCc2nonc2C)CC[C@H]1NC(=O)Cc1cccnc1 1875241008 LABGGCJAYLEGMQ-ZMSDIMECSA-N 387.440 0.932 0 50 GCAA C=CC(=O)NCC(=O)N1CCC[C@H](n2nncc2I)C1 1875303021 RLLOQFVFPQMWDY-VIFPVBQESA-N 389.197 0.348 0 50 GCAA COC(=O)CCN(C)C(=O)[C@H](CSC)NC(=O)[C@@H]1Cc2ccccc2N1C 1875329402 UIIKGRUXORXLLU-HOCLYGCPSA-N 393.509 0.917 0 50 GCAA COCCS(=O)(=O)NC(=O)N[C@@H]1CCc2cc(C(=O)OC)ccc2NC1=O 1875331054 NKPAYTTXDQQSTB-CYBMUJFWSA-N 399.425 0.002 0 50 GCAA Cc1nc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)CN3CCCC3=O)C2)sc1C 2100482357 SWDHNDYLYGKJND-IHRRRGAJSA-N 394.497 0.254 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2n[nH]c(C)n2)cc1OC 2100555055 LADNMHXWFXZVHN-SJORKVTESA-N 389.412 0.045 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)[C@H]2C[C@@](F)(CN)C2)N1Cc1ccccc1 2325778800 PXEGCXDKUHRIFJ-QOJCHSLYSA-N 379.476 0.832 0 50 GCAA COc1ccc(C(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)c(OCCN)c1 2356143666 RMWOYANAASBLEA-RDJZCZTQSA-N 380.441 0.150 0 50 GCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O 3978033 FPPNZSSZRUTDAP-BBGACYKPSA-N 378.406 0.487 0 50 GCAA biogenic,world CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cn2cncn2)CC1 12437843 UDQTVZLGMSTPQR-QGZVFWFLSA-N 376.505 0.897 0 50 GCAA C[C@@H]1CN(C(=O)CCCn2nnnc2CN2CCc3ccccc3C2)CCN1 95507791 DNBBURHCRZIMCX-MRXNPFEDSA-N 383.500 0.832 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCC2(CO)CCC2)c1)N1CCCNCC1 97729754 RCYCWTMHZKJRHA-UHFFFAOYSA-N 381.498 0.563 0 50 GCAA COCCn1cnnc1[C@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F 97805521 CEAQRHRIVGPKMI-JTQLQIEISA-N 375.368 0.922 0 50 GCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1OC 269054281 WMABNJRIFDLODI-QQOXCAACSA-N 382.438 0.940 0 50 GCAA C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 363530859 QYXIALNVIGGFIS-YPMHNXCESA-N 382.438 0.569 0 50 GCAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 378047195 NTOLGOPYCBQDKG-RKVPGOIHSA-N 375.425 0.367 0 50 GCAA NC(=O)NCC(=O)N1CCOC2(CCN(C(=O)CCC3CCCC3)CC2)C1 826844184 STHNMHPLEIAELO-UHFFFAOYSA-N 380.489 0.845 0 50 GCAA CS(=O)(=O)N1CCC(N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)CC1 1616083813 DLPSSWGWQRGSJN-CVEARBPZSA-N 382.482 0.990 0 50 GCAA Cc1cccc(CN2C[C@H]3CN(C(=O)CCC4=NNC(=O)CC4)C[C@@]3(CO)C2)n1 1772814247 PRMSGJJMDJCDTQ-HRAATJIYSA-N 399.495 0.689 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)N(C)Cc3noc(C)n3)CC2=O)s1 1857718057 MBFUMGFPNPDNEA-JTQLQIEISA-N 380.430 0.778 0 50 GCAA N=c1nc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)c2nc[nH]c2[nH]1 1857732135 DGCXIWPIFUPWKW-KBPBESRZSA-N 379.424 0.772 0 50 GCAA O=C(CCn1c(CO)nc2ccccc21)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857739363 JIOGXQLPBVQCIH-JYJNAYRXSA-N 388.468 0.259 0 50 GCAA CCn1cc[nH]c(=N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)c1=O 1875397988 WHIOOVFWFGUTDU-CQSZACIVSA-N 385.472 0.485 0 50 GCAA COCCN(C(=O)c1nc(C)c(C)c(N2CC[C@@H](N)C2)n1)C1CCOCC1 1875401826 SZDZSQRROKLTDF-OAHLLOKOSA-N 377.489 0.898 0 50 GCAA O=C(NC[C@H](NC(=O)C1(O)CCOCC1)C1CC1)c1csc2nccn12 2325860264 AYRNDMPLOBAGQR-LBPRGKRZSA-N 378.454 0.562 0 50 GCAA CCC1CN(C(=O)CNc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893113 PXVWTWFRFRTONG-INIZCTEOSA-N 384.436 0.728 0 50 GCAA O=C(NCc1ccc(/C=c2\sc3n(c2=O)CCN=3)o1)C(=O)Nc1ccccc1 2076320 IIMCLZRVLAPXDI-GDNBJRDFSA-N 396.428 0.220 0 50 GCAA CN(CC[C@@H]1CCCCO1)C(=O)CCCn1nnnc1CN1CCOCC1 14981655 WBVIETUKQAXLLX-INIZCTEOSA-N 380.493 0.703 0 50 GCAA CC[C@H](C(=O)N1CCc2c(c(C(=O)O)nn2CC2CC2)C1)N1CCOCC1 67894637 FHHLKIONQODAAY-OAHLLOKOSA-N 376.457 0.987 0 50 GCAA O=C(C1CC1)N1CCN(C(=O)c2ccc(F)c(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77342931 CEPFPZYZGBHRPV-CABCVRRESA-N 384.404 0.825 0 50 GCAA C[C@@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77375528 ITXBFDOPWGPSCJ-CQSZACIVSA-N 388.493 0.835 0 50 GCAA CCn1ccc(C(=O)N2CCN(Cc3ccco3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 82108339 MYKBWPQWTZCHST-CVEARBPZSA-N 378.454 0.620 0 50 GCAA CN(C)Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)o1 91907655 UIJAKLSOGBMVKT-IAGOWNOFSA-N 378.517 0.659 0 50 GCAA CNC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCSC)c1 95370912 RQLLKPNXSNKGOZ-LBPRGKRZSA-N 387.527 0.925 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)NCCn2c(C)cc(C)nc2=O)c1 96180416 HCOAEWIOUXZFAU-UHFFFAOYSA-N 379.442 0.590 0 50 GCAA CN1CCN(C(=O)c2cccc(NC(=O)NC[C@@]3(O)CCCNC3)c2)CC1 97766549 WKCPAEUKVLWLFK-LJQANCHMSA-N 375.473 0.310 0 50 GCAA O=C([C@@H]1CNC[C@H](C(=O)N2CCCC2)C1)N1CCN(c2nccs2)CC1 247799071 UAPXCYZAAPTADQ-CABCVRRESA-N 377.514 0.640 0 50 GCAA 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 265450373 KRCRFRLPVQRJKG-GPMVNZHBSA-N 386.429 0.438 0 50 GCAA COCC(=O)N1CC[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)[C@@H](O)C1 1565511375 AFGIQYRBRNRKEX-IRXDYDNUSA-N 378.469 0.728 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1F 1704303003 VKXOYQDFRJVCSG-JSGCOSHPSA-N 380.463 0.152 0 50 GCAA CN1CC[C@]2(C(=O)NCCCc3nn[nH]n3)CCCN(Cc3ccncc3)[C@H]2C1 1857673027 DLUPOLXLSUXYCC-FXAWDEMLSA-N 398.515 0.630 0 50 GCAA Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)c4ccccc4)CS(=O)(=O)[C@H]3C2)no1 1857707132 FYCMIHYVXRHKKB-IMJJTQAJSA-N 389.433 0.651 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)NCc3cc(O)nc(C)n3)CC2=O)s1 1857733595 QHGTYNIDTUPSJN-VIFPVBQESA-N 378.414 0.158 0 50 GCAA COc1ccc2c(c1)cc(C(=O)N1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1)n2C 1857735340 DJVQQOSAHDCCDM-GUYCJALGSA-N 395.481 0.511 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NCc2cccnc2N)CC[C@H]1NC(=O)c1cncn1C 1875245758 PGGICOHBHLRYRG-JGGQBBKZSA-N 386.456 0.627 0 50 GCAA Cc1nsnc1C(=O)N[C@@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@H]1O 1875246530 QMCNKDVKDVIFFK-YNEHKIRRSA-N 378.458 0.119 0 50 GCAA COCC(=O)NCCC(=O)N[C@H]1CCC[C@H]1NC(=O)c1c(F)cccc1OC 1875344633 NRGBAXJIDVJXPL-UONOGXRCSA-N 395.431 0.754 0 50 GCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2100547198 DJZLXXFSSWWMSY-HXUWFJFHSA-N 384.436 0.722 0 50 GCAA Cn1c(=O)c2c(ncn2CCCSC[C@@H]2CCc3nncn3C2)n(C)c1=O 2325788156 PNDMLKAUSVBXRP-GFCCVEGCSA-N 389.485 0.411 0 50 GCAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccnn2C)CC1=O 2325819940 VNJUVNMQRBBDFR-OCCSQVGLSA-N 376.438 0.835 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCNCC45CCC5)cc3C2=O)C(=O)N1 2325890743 DKBVRRZOOZRGPW-INIZCTEOSA-N 396.447 0.416 0 50 GCAA CO[C@@]1(C)CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccn(C)n2)CC1 2332237556 BDULQPPPRVAKJE-NUJGCVRESA-N 398.529 0.341 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCc3[nH]nc(O)c3CC2)OCC(=O)N1C 2356136985 NURJIGPJKKTPTI-MSOLQXFVSA-N 384.436 0.949 0 50 GCAA O=C(NCc1nnc2n1CCC2)c1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1 2356170809 CBXAEXJESKOSEU-UHFFFAOYSA-N 394.439 0.776 0 50 GCAA O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 819805 UIJGZLFSXMJOMH-UHFFFAOYSA-N 377.316 0.511 0 50 GCAA CCN1CC[C@H](C(=O)N2CCn3nc(C(=O)NCc4ccccn4)cc3C2)C1 65395086 KRINVONJJCMAIM-HNNXBMFYSA-N 382.468 0.892 0 50 GCAA COC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65470763 LYAWZHSPVBBTPF-BLLFTHONSA-N 392.408 0.519 0 50 GCAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cn(CCN2CCNCC2)nn1 77520260 MKCCLAHXXFRGEV-ZDUSSCGKSA-N 375.502 0.756 0 50 GCAA CCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82098619 IANQVGNEQNMDMA-MRXNPFEDSA-N 387.546 0.761 0 50 GCAA CN1C[C@@H](N)C[C@H]1C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91621089 HZHOTTWKLZJFOQ-HKUYNNGSSA-N 399.539 0.887 0 50 GCAA CN(CCN1CCCCC1=O)C(=O)Cn1ncc(N2CCCCC2)cc1=O 95497793 GHCZMANWPNODBC-UHFFFAOYSA-N 375.473 0.705 0 50 GCAA CSCC[C@H](NC(=O)CCc1ccc2c(c1)[nH]c(=O)c(=O)n2C)C(=O)O 218357503 PDMYZKBDWZMHJP-NSHDSACASA-N 379.438 0.482 0 50 GCAA Cc1ccc2oc(=O)n(CCC(=O)N[C@@H]3CCOC[C@H]3OCC(=O)O)c2c1 223105211 JYKHZPSSGSAAFE-IUODEOHRSA-N 378.381 0.668 0 50 GCAA COc1cc(N2C[C@H](C(=O)NC[C@H](C)C(=O)O)CC2=O)cc(OC)c1OC 263313069 YBBPUBVBMYSKOS-WDEREUQCSA-N 380.397 0.902 0 50 GCAA O=C(NCC(=O)N1CCc2ccccc2C1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 275305948 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CN(C)S(=O)(=O)C[C@@H]1CN(c2ccc(CN3CCCCC3)cn2)C[C@@H]1O 1704350453 JKCVVALCOIVFCT-IRXDYDNUSA-N 382.530 0.756 0 50 GCAA COCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3cncc(O)c3)CC2)[C@H]1O 1772704493 NIFAQNLQXQGNOT-ZWKOTPCHSA-N 393.440 0.065 0 50 GCAA Cc1ccccc1CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@]2(CO)C1 1772704815 FKPZRFMZVSABFT-IIBYNOLFSA-N 396.447 0.214 0 50 GCAA COc1cc(CN2C[C@H]3CN(C(=O)Cn4nc(C)cc4C)C[C@@]3(CO)C2)ccn1 1772810059 IFNNNLZRUDMOKT-GHTZIAJQSA-N 399.495 0.856 0 50 GCAA CN1C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4occ5c4CCC5)[C@@H]3C2)NC1=O 1775996605 ACIFDNZBQLIGMV-DAXOMENPSA-N 386.452 0.855 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)c2ccccc21 1857691439 LHHMPSSJXAPWBB-LRHZJYQRSA-N 377.466 0.647 0 50 GCAA CN1CC(=O)N(CC(=O)N2CCCN(C3CSCCSC3)CC2)C1=O 1857704938 LUAMQXZMEATRKW-UHFFFAOYSA-N 386.543 0.263 0 50 GCAA CC(C)c1nccn1[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCn1ccccc1=O 1875242613 XKXHBFLHHKILGT-HUUCEWRRSA-N 392.481 0.713 0 50 GCAA 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COc1ccc(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)cc1-n1cnnn1 120170711 DPDMJXBZOJBDSW-KRWDZBQOSA-N 399.499 0.913 0 50 GCAA O=C1C[C@H](C(=O)O)C2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)N1 244647115 GVKQFCMCYLXLCT-CYBMUJFWSA-N 380.470 0.535 0 50 GCAA CCN1CCN([C@@H](C)CNS(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 253432755 NKTLOKPVOUUJQE-FUHWJXTLSA-N 388.578 0.723 0 50 GCAA COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(C(=O)O)CC3)CC2)c1 262335199 WTNUEBUKXIWGPK-UHFFFAOYSA-N 398.437 0.402 0 50 GCAA O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccn(-c2ncccc2F)n1 378315942 QJGNIIKJVDYEDN-UHFFFAOYSA-N 383.339 1.504 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1NC2=O 426423438 NUNDAXIPNOOFMW-LBPRGKRZSA-N 378.454 0.782 0 50 GCAA Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccccc2O)n1 952869917 PJDPEVDNJJFJSV-UHFFFAOYSA-N 380.412 0.493 0 50 GCAA CC(C)SCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)cn2C)C1 1775991137 HOQMLLUOBLWGQH-GOSISDBHSA-N 396.513 0.613 0 50 GCAA CS(=O)(=O)NC[C@H]1[C@H]2CN(c3ncc4c(n3)CCCC4)C[C@]23CC[C@H]1O3 1857720289 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Cc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 72430279 PVQVJNYLRCKABK-IBGZPJMESA-N 376.505 0.567 0 50 GCAA CC[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)N1Cc2ccccc2C1=O 92077539 KFCVRKLEPOARMZ-INIZCTEOSA-N 379.482 0.961 0 50 GCAA COCCN1CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 95521720 CIZUWFXDBDCPBY-UHFFFAOYSA-N 376.866 0.783 0 50 GCAA Cc1nc(C2CCN(C(=O)Cn3nnnc3CN3CCCC3)CC2)cc(=O)[nH]1 95526314 YVVHADCLQGPOET-UHFFFAOYSA-N 386.460 0.067 0 50 GCAA C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 184703883 DGMXCHCZJXGEAI-HNNXBMFYSA-N 380.514 0.621 0 50 GCAA CN1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CCOCC3)c2)CC1 215042561 KEYMHYMVLCKMBE-UHFFFAOYSA-N 381.498 0.922 0 50 GCAA CN(CCc1ncon1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCNC2)c1 215812657 FHQUALHNISVZCD-CYBMUJFWSA-N 379.442 0.025 0 50 GCAA O=C1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3[C@H]4CCCC[C@H]43)cc2)CCN1 241466012 NTWVGBUKBIYFPM-QLPKVWCKSA-N 377.466 0.726 0 50 GCAA CCN(CC)c1ccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)cc1 299774182 BWTLOPDHTIYQDT-QZTJIDSGSA-N 376.501 0.786 0 50 GCAA Cc1noc([C@@H]2CCCCN2C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 329268752 IFEHVSJNKKKWJK-YAYDYNKSSA-N 388.424 0.984 0 50 GCAA C[C@]1(C(=O)NC[C@@]2(C)CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CCC(=O)NC1 333430763 HMSJTBFESPLRID-HSALFYBXSA-N 392.500 0.174 0 50 GCAA NC(=O)CCn1cc(-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cn1 534576226 WWRAYJZQHQJHCC-HNNXBMFYSA-N 376.438 0.342 0 50 GCAA C[C@H]1CN(C(=O)CN2CCC[C@H](CNC(=O)C3CCOCC3)C2)C[C@@H](C)O1 952972435 OXGPCHDWSLITEL-IXDOHACOSA-N 381.517 0.877 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@@H]1O 1615738643 UWYBQYZVJIGCFF-RISCZKNCSA-N 378.853 0.732 0 50 GCAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)c2)o1 1857677690 MQVAYYGUWHLSIM-BQGCOEIASA-N 380.422 0.764 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)NCCN3CCC(CO)CC3)CC2=O)s1 1857730045 XGICXCROPBADIB-CQSZACIVSA-N 395.529 0.664 0 50 GCAA Cn1ccn2c(CNC(=O)C(=O)NCC3(Cc4ccccc4)CC3)nnc2c1=O 1875317536 BEFNJOHTSKXWNN-UHFFFAOYSA-N 394.435 0.183 0 50 GCAA Cn1c(N2CC[C@H](NCc3cncc(-c4cccnc4)c3)C2)cc(=O)n(C)c1=O 1875397973 VUEVFIXWLHBPBC-SFHVURJKSA-N 392.463 0.910 0 50 GCAA CCCN(CCC)CCCNC(=O)c1cn(CCCc2nc(=O)o[nH]2)nn1 2325822357 SNRAOUXDSRQGOH-UHFFFAOYSA-N 379.465 0.829 0 50 GCAA CCOC(=O)[C@@H](NC(C)=O)[C@H](OC(C)=O)c1cccc(N(CCO)CCO)c1 4719022 CKZSAKZEWIMIET-ZWKOTPCHSA-N 396.440 0.150 0 50 GCAA CCOC(=O)[C@H]1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1 19145357 KYTIBFBHBNKXHA-OAHLLOKOSA-N 394.476 0.230 0 50 GCAA OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@H](O)[C@H]1O 22053328 NLRXQZJJCPRATR-LEOABGAYSA-N 385.210 0.781 0 50 GCAA biogenic,in-vitro CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 65363408 FHHBZADDUFGSAL-GOSISDBHSA-N 395.525 0.807 0 50 GCAA O=C(c1ccc(NCCOCCO)nc1)N1CCC(N2CCOCC2)CC1 67769712 GZQMTCBMXRSWKI-UHFFFAOYSA-N 378.473 0.439 0 50 GCAA NC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72146938 VLUCFDCHPAOADO-ZDUSSCGKSA-N 386.374 0.388 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ncc[nH]2)c1OC 72161755 HZGCAAVYPAVBHY-AWEZNQCLSA-N 387.440 0.434 0 50 GCAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CN1CCOCC1=O)CC2 280565677 VIGRQNBCNLEPMO-CQSZACIVSA-N 378.498 0.815 0 50 GCAA COCCn1cnnc1CNC(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 426544433 PTFXMOAZEBOWQI-OAHLLOKOSA-N 376.392 0.446 0 50 GCAA Cc1nccn1CCN(C)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 584901779 NSJDQDOJUQJCCZ-UHFFFAOYSA-N 378.477 0.750 0 50 GCAA OCCO[C@@H]1CCCN(c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)C1 888097492 JRNOEGRPMLRXCA-ARFHVFGLSA-N 391.472 0.449 0 50 GCAA O=C1C[C@H](C(=O)N2CCS(=O)(=O)CCO2)CN1CCc1ccc(F)cc1 1348656256 VZBUQDRBHWGRSA-AWEZNQCLSA-N 384.429 0.405 0 50 GCAA COc1ccc2c(c1)cc(C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C)n2C 1704338527 FJAIJSMFQSXWOY-DZGCQCFKSA-N 395.481 0.823 0 50 GCAA CN(C)C[C@@]12CN(C(=O)CCS(C)(=O)=O)C[C@@H]1CN(C(=O)C1CCC1)C2 1772708956 LZDQTMXYOMFUTN-QAPCUYQASA-N 385.530 0.070 0 50 GCAA Cc1cc(-c2nnc3n2C[C@]2(CCN(C(=O)c4c[nH]c(=O)cn4)C2)OC3)no1 1857688593 RTYUVTSYMGPUHY-QGZVFWFLSA-N 383.368 0.140 0 50 GCAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc[nH]n2)C1 1857702349 JVSSFSTXOLVPBD-JTDSTZFVSA-N 376.505 0.634 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1O)c1ccc(Cl)cn1 1875240008 DJBQHKQQFBDDQH-COLVAYQJSA-N 377.832 0.686 0 50 GCAA Cc1nc(C)c(C(=O)N2CCc3nc(C(=O)NCc4nc[nH]n4)cn3CC2)o1 1875245842 UKFNWBFUIVOQCS-UHFFFAOYSA-N 384.400 0.235 0 50 GCAA CCC[C@@H](C(=O)N(C)C[C@H](O)CN1CCc2ccccc2CC1)S(N)(=O)=O 1875267827 PYAYZHBLGGQKJE-ROUUACIJSA-N 397.541 0.364 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)C1 1875371365 YCLQXTWQQZCTGC-ZDUSSCGKSA-N 378.454 0.616 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccs3)C[C@H]2O)n[nH]1 2100482945 IEJIVCZNVMZXEQ-DGCLKSJQSA-N 384.483 0.120 0 50 GCAA O=C(Cc1ccc(O)cc1)N[C@@H]1C[C@@H](C(=O)NCCN2CCCC2)CC[C@H]1O 2100545346 QDYGCIJFPLHBRV-QXAKKESOSA-N 389.496 0.793 0 50 GCAA O=C(O)CN(CC1CC1)C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325895456 ANWXOKTVLZHYCC-HNNXBMFYSA-N 399.403 0.384 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(O)CC2)c(F)c1 12701432 FHQKEACFHUWIMZ-KRWDZBQOSA-N 379.432 0.508 0 50 GCAA COC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccccc2)CC1 16447716 SJOHRJFFFDHOMG-UHFFFAOYSA-N 384.400 0.341 0 50 GCAA CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(C)CC3)ccc21 20181947 QINKDIQECRSDEO-UHFFFAOYSA-N 380.514 0.511 0 50 GCAA COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N2CCN(C)CC2)=C1 20220085 XRKOFPHMKJARAE-UHFFFAOYSA-N 378.454 0.332 0 50 GCAA O=C(c1cn(CCN2CCNCC2)nn1)N1CCC(c2cccc(O)c2)CC1 77524273 HGVOHJLIDKOSGY-UHFFFAOYSA-N 384.484 0.909 0 50 GCAA CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91665685 GRUJRSPDSBILCH-HNNXBMFYSA-N 395.481 0.900 0 50 GCAA O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)Nc1cccc(Cl)c1 169772603 VLULKTUTMGJGNY-UHFFFAOYSA-N 385.829 0.778 0 50 GCAA COCCn1c(CN2CCCN(C(=O)C3CC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244884289 YJDAOSKBBIJTQJ-IYBDPMFKSA-N 376.505 0.574 0 50 GCAA CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(Br)cc(C(=O)O)c2)C1 262682041 SZCMKDGATZZCPG-NSHDSACASA-N 391.243 0.911 0 50 GCAA O=C1COc2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)c(Br)cc2N1 262803260 RVQOVMQVIBQVTG-LLVKDONJSA-N 385.170 0.706 0 50 GCAA O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN2C(=O)N=C(O)[C@H]2C1 329417039 FYBFXFWXEIAUOW-TVQRCGJNSA-N 378.335 0.921 0 50 GCAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)c1OC 478001487 UORJPDISFAVUGJ-ZDUSSCGKSA-N 375.425 0.514 0 50 GCAA Cc1ccc2nc(CNC(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)[nH]c2c1C 584897437 INBSNMQMGMBLCX-ZDUSSCGKSA-N 380.470 0.871 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 734244635 WKSCOEZNIRCOSM-INIZCTEOSA-N 381.498 0.968 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 827921450 ZYUCUUULDYUVEA-UHFFFAOYSA-N 385.486 0.412 0 50 GCAA CO[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)C1 952966393 ILBBXUUSRLXGTE-ZDUSSCGKSA-N 377.488 0.704 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1O 1529158444 CQPSCLOLWUTRIG-LSDHHAIUSA-N 379.438 0.666 0 50 GCAA O=C1NC(=O)[C@@H](CC(=O)N2CCCN(C(=O)Cc3c[nH]c4ccccc34)CC2)N1 1529177619 BLAUSOQPAOEKEE-MRXNPFEDSA-N 397.435 0.369 0 50 GCAA CC(=O)N1C[C@@H]2CN(C3CCN(C(=O)c4cccnc4)CC3)C[C@]2(C(=O)O)C1 1565525834 QXYBAGXNUPCZSR-OXQOHEQNSA-N 386.452 0.551 0 50 GCAA O=C(NCCc1ccncc1)[C@H]1COCCN(C(=O)CCCn2cncn2)C1 1857667792 OXTZBOKAPVLXBN-QGZVFWFLSA-N 386.456 0.287 0 50 GCAA NCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@@H]3CCOC3)cc12 1857694478 PMNBVQQALZYUDX-GFCCVEGCSA-N 379.482 0.616 0 50 GCAA NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)NCc1ccc3c(n1)CCCC3)C2 1875395584 FZTDOTOYYGMBAR-CQSZACIVSA-N 392.481 0.144 0 50 GCAA C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3cccc4ccccc34)CCN2C1=O 14742386 OQOIJHRDQUDOHC-VMGRFDJRSA-N 383.404 0.731 0 50 GCAA O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14750690 VWHGLUDZPCPNNB-RBUKOAKNSA-N 390.447 0.712 0 50 GCAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)Cn2nnnc2CN2CCOCC2)C1 20536547 LSYMYQZHHOIOLJ-OAHLLOKOSA-N 378.477 0.359 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cnc(OC)nc3)CC2)C1 67787127 GDIPNHIOCSZINV-KRWDZBQOSA-N 391.516 0.924 0 50 GCAA CCC(CO)(CO)NC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71762819 SPXJTHUSIGOFSG-CQSZACIVSA-N 379.457 0.225 0 50 GCAA Cc1nnc(SCC(=O)N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)s1 77407179 TWBPLTNCSKGTOQ-DGCLKSJQSA-N 393.494 0.725 0 50 GCAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cn(CCN2CCNCC2)nn1 95378763 QYBQXXSGIRPLDD-MRXNPFEDSA-N 384.484 0.555 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(S)n2C[C@@H](O)COc1ccc(Cl)cc1 100528709 NZAKNENBMNKYOA-SECBINFHSA-N 382.829 0.805 0 50 GCAA CCOCCN(C)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 376946099 QBQYSVMORRMHGV-HUUCEWRRSA-N 389.452 0.517 0 50 GCAA CCSc1nccnc1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 435861466 JFVXFXCZTYUQDO-GFCCVEGCSA-N 389.485 1.013 0 50 GCAA CN(CCC(=O)N1CCN(Cc2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 823668449 MIAKXRXUVKQOBX-HNNXBMFYSA-N 385.555 0.901 0 50 GCAA O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCn2cncc2C1 1319381218 OMSFZSJSVIGBGG-HNNXBMFYSA-N 383.456 0.091 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCn3ccc(O)nc3=O)C1)CC2 1704299729 RFMRTGGRTOMLJB-HXUWFJFHSA-N 398.467 0.702 0 50 GCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCOC2(CCN(C)CC2)C1 1772805616 QQHIWXDMPWMOPF-UHFFFAOYSA-N 398.481 0.808 0 50 GCAA O=C1CC[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)N1 1775980852 CYSDYZPTZOUFLG-ZDUSSCGKSA-N 385.873 0.842 0 50 GCAA CC[C@H](CC(F)F)C(=O)NC[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1775997026 QSVHRCRVWWZRNY-VXGBXAGGSA-N 388.415 0.717 0 50 GCAA COCC(=O)N1CCCC(=O)NCCOc2ccc(C)cc2C(=O)NCC1 1857670036 MFMUEPXCIYVRKQ-UHFFFAOYSA-N 377.441 0.489 0 50 GCAA COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)NC(C)C)C[C@@H]23)cc1 1857686091 HLEQKYBXISKDIM-XHSDSOJGSA-N 395.481 0.640 0 50 GCAA CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(o1)CCCNC2=O 2325828399 GESCPMGVJVKVAC-MQIPJXDCSA-N 375.425 0.398 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 3830507 XIURVHNZVLADCM-IUODEOHRSA-N 396.446 0.592 0 50 GCAA metabolite,world CCS(=O)(=O)N1CCC(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)CC1 6488913 WXVLHLCTFIXCBE-ZDUSSCGKSA-N 389.371 0.855 0 50 GCAA COc1ccccc1CN1CCN(C(=O)Cn2nnnc2CN2CCCC2)CC1 11874888 OQHMFFUHPAOBCT-UHFFFAOYSA-N 399.499 0.622 0 50 GCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3nc(-c4ccccc4)cs3)CN2C1=O 14531614 VICHASNMQNYVDF-MOWSHJCCSA-N 386.477 0.748 0 50 GCAA O=C(c1ncccc1O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77323662 RPQGSBBIOVXFDS-CVEARBPZSA-N 387.461 0.911 0 50 GCAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cn1nnnc1C)C2 91624714 OXKMEWONMXOZGK-LMMKCTJWSA-N 392.504 0.348 0 50 GCAA CNC(=O)c1noc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)n1 92081171 QLKPVAFHHACRIA-ZDUSSCGKSA-N 377.445 0.864 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(-c3nnn[nH]3)cc1)CCN2CC1CC1 95499700 MJLZKWNZULGZTM-SJORKVTESA-N 388.497 0.560 0 50 GCAA Nc1ncccc1CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1 95501634 KGFRKXZYOOIMTM-AWEZNQCLSA-N 376.438 0.661 0 50 GCAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 186659141 HOMGREKYLCZQJN-ZDUSSCGKSA-N 386.481 0.945 0 50 GCAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1)c1cc(-n2cnnn2)ccc1O 222933068 UCKBQXJYTVVIEJ-BVPBIZIASA-N 384.440 0.740 0 50 GCAA C[C@@H]1CN(C(C)(C)CNS(=O)(=O)CC2CCS(=O)(=O)CC2)C[C@@H](C)O1 225833449 YTLJYVAVMKWMGQ-ZIAGYGMSSA-N 396.575 0.618 0 50 GCAA CN(CC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)Cc1ccccc1 328633964 SYADIJYPWWEBFP-KRWDZBQOSA-N 376.482 0.850 0 50 GCAA CCN1C(=O)[C@H]2CN(C(=O)c3cc(N4CCNC4=O)ccc3F)CCN2C1=O 362846023 DBCSAGWUPBOFHN-CQSZACIVSA-N 389.387 0.464 0 50 GCAA NC(=O)CN1CCC[C@H](C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1 952985708 GVBVLSBJTJXMEC-HNNXBMFYSA-N 393.532 0.807 0 50 GCAA Cc1nc(C)c(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)o1 1565508042 MEXDGFVHBLTBER-OLZOCXBDSA-N 377.426 0.209 0 50 GCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)Nc2ccc3[nH]c(C(N)=O)cc3c2)n1 1875330584 ULHMVBKTIPTYHV-CQSZACIVSA-N 382.424 0.819 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC(=O)N[C@H](c3ccccc3)[C@H]2C(=O)OC)C1 1875371899 PFMSXSWCVQUZJL-IPELMVKDSA-N 399.447 0.652 0 50 GCAA COCCN(Cc1ccco1)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(C)=O)C2 1875393950 VQEIKEIRGDQLFN-OAHLLOKOSA-N 384.454 0.290 0 50 GCAA COc1cccc(C(=O)N[C@H]2CC3(CN(C(=O)[C@H]4CCOC4)C3)n3ccnc32)n1 2332237894 PYDIEFIBXRFYBI-ZFWWWQNUSA-N 397.435 0.736 0 50 GCAA CCOC(=O)N1CCN(C(=O)CNC(=O)[C@H]2COc3ccccc3O2)CC1 13735541 HHPHFQHVJJTNIC-OAHLLOKOSA-N 377.397 0.243 0 50 GCAA Nc1nc(N2CCOCC2)cc(N2CCCn3nc(CCC(=O)O)cc3C2)n1 72431458 JVNOPMTXUXBYNV-UHFFFAOYSA-N 387.444 0.519 0 50 GCAA COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72441603 KWEZYVILYXJCMY-CYBMUJFWSA-N 399.469 0.939 0 50 GCAA O=C(CCn1cnnn1)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91713298 SIGBIVGTYLQVGR-UHFFFAOYSA-N 383.456 0.890 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1cc(Cl)no1)C2 95507903 MZGIOFIKBWRUEI-NWDGAFQWSA-N 382.848 0.798 0 50 GCAA NC(=O)c1cccnc1N1CCN(C(=O)c2cccc(-n3ccnc3)n2)CC1 181925489 PHINYWQRKHPWQE-UHFFFAOYSA-N 377.408 0.724 0 50 GCAA CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@@H](C(=O)O)C2)cc1 274986975 DTPOOIVBDRHTIT-OLZOCXBDSA-N 384.410 0.831 0 50 GCAA O=S(=O)(Nc1ccncc1)c1ccccc1S(=O)(=O)N1CCOCC1 277168065 UEEJLNQITYHPKN-UHFFFAOYSA-N 383.451 0.903 0 50 GCAA Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1cnc2n(c1=O)CCS2 278098536 OFBLVGQJIRNGMW-UHFFFAOYSA-N 380.451 0.235 0 50 GCAA Cc1ncsc1CCS(=O)(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 333656703 FYQJUXIXLOBBFP-LBPRGKRZSA-N 381.545 0.680 0 50 GCAA COC(=O)C(C)(C)N1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 428042422 UUNWUGVFTAWNPL-LBPRGKRZSA-N 382.486 0.943 0 50 GCAA COCCN1CCC(CN(C)S(=O)(=O)N2CCC[C@@H](COC)C2)CC1 952974816 JZSOOJORGGKYFA-QGZVFWFLSA-N 377.551 0.880 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)c1c(F)cccc1F 1704340184 WWTHFINIKALUAZ-JOYOIKCWSA-N 384.426 0.150 0 50 GCAA Cc1cc(CC(=O)N2C[C@H]3CN(C(=O)c4cccc(C)n4)C[C@]3(CO)C2)on1 1772702605 KVDIJEHYHWKNSU-YWZLYKJASA-N 384.436 0.822 0 50 GCAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)CCn1cncn1)C2 1857528094 GWUXWGXUUNWJHT-MRXNPFEDSA-N 396.499 0.616 0 50 GCAA O=C(CCCn1cccn1)N[C@@H]1C[C@H](C(=O)NCCc2nccs2)C[C@H]1O 1875248837 RLSVSWWKXNUOQT-RRFJBIMHSA-N 391.497 0.734 0 50 GCAA O=C(Cn1cnnn1)N[C@H]1[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CC3)C[C@@H]21 1875324508 BEFIBWSQJHTIBS-FOLVSLTJSA-N 386.843 0.631 0 50 GCAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1cnc3cccnn13)C2 1875393006 CRBWPWSCONLOEZ-OPQQBVKSSA-N 388.409 0.254 0 50 GCAA CN1C[C@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)CNC(=O)C(C)(C)C)C2 1875395312 ALSGVADAWWJYAS-CQSZACIVSA-N 388.516 0.563 0 50 GCAA Cc1ccc(O)cc1C(=O)N[C@@H]1C[C@H](C(=O)NCCN2CCCC2)C[C@H]1O 2100478102 RITFZMNFQPMFAU-BMGDILEWSA-N 375.469 0.782 0 50 GCAA O=C1NCCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)[C@H]1CCO 2325874122 BLIRGJXJUUIRRJ-AWEZNQCLSA-N 390.367 0.681 0 50 GCAA Cc1cccc(-c2nc(CNS(=O)(=O)N3CCN(C)CC3)cc(=O)[nH]2)c1 67856296 BQDAFDZGTBPBQU-UHFFFAOYSA-N 377.470 0.327 0 50 GCAA COc1nc2c(cc1CNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C1CCCC1)C2 71589534 PETGWHASYGONCV-OAHLLOKOSA-N 387.440 0.628 0 50 GCAA CCCn1ncc(CN2CCN(Cc3c[nH]cn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 77487616 BOGVYJLNYKTMEV-ZWKOTPCHSA-N 392.529 0.808 0 50 GCAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cn(CCN2CCNCC2)nn1 77520264 MKCCLAHXXFRGEV-CYBMUJFWSA-N 375.502 0.756 0 50 GCAA COC(=O)c1cn(-c2ccc(Cl)c(C(=O)NCCO)c2)cc2c(=O)[nH]nc1-2 253408289 KOSJEUBXGSVOTL-UHFFFAOYSA-N 390.783 0.828 0 50 GCAA Cn1ncc2c(=O)n(CC(=O)N3CCNC[C@H]3c3cccc(Cl)c3)cnc21 261733743 CYKSYJCAEDJOOR-HNNXBMFYSA-N 386.843 0.957 0 50 GCAA COc1ccccc1NC(=O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 263616851 KWIXYHQUVOUDRM-UHFFFAOYSA-N 381.410 0.133 0 50 GCAA COc1nccnc1-c1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 299777376 PYPMCYQPMBNRNX-UHFFFAOYSA-N 376.438 0.870 0 50 GCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)N=C(O)CO4)C[C@H]2CO)cn1 328626766 MBKHEQMIWDIYAL-JSGCOSHPSA-N 392.437 0.797 0 50 GCAA OC[C@@H]1O[C@H](Oc2cc(O)cc(CCc3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 407947101 GMYAXWBDOODSNF-KNJMJIDISA-N 392.404 0.062 0 50 GCAA biogenic Cc1ccc(-c2ccnc(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)n2)c(C)n1 1529138976 KUYLQBIVXISNMD-WMLDXEAASA-N 391.497 0.844 0 50 GCAA CN(C)C[C@@]12CN(Cc3ccc(CO)o3)C[C@@H]1CN(C(=O)c1ccnn1C)C2 1772810606 NCJMDSGPBHPKGK-QRWLVFNGSA-N 387.484 0.641 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@@]2(CCC(=O)O)C1 1772813064 UUIRBUIXJWAKIZ-YJBOKZPZSA-N 380.466 0.814 0 50 GCAA COCCC1(NC(=O)[C@@H](C)CSC)CCN(C(=O)[C@H]2COCCO2)CC1 1775989156 FMSJBBRJTVANQQ-LSDHHAIUSA-N 388.530 0.915 0 50 GCAA O=C(N[C@@H]1CN(C2CCSCC2)CC[C@@H]1O)c1ccc(-n2cnnn2)cc1 1857698428 QZUNVWMOLDLJIN-SJORKVTESA-N 388.497 0.723 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3cnc4ccccn4c3=O)CC(=O)N21 1857712515 CIICZSIDXFGDRZ-YDHLFZDLSA-N 398.419 0.319 0 50 GCAA O=C(CCn1ccccc1=O)N1CCC([C@H](O)CN2CCC(O)CC2)CC1 1857728159 PWNREBXQAUZCKF-GOSISDBHSA-N 377.485 0.295 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)C1 1875379390 SQDJKHJHLIWHGA-YGCGBWEQSA-N 378.498 0.960 0 50 GCAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1S(=O)(=O)N1CCN(C)CC1 1875397696 KNCSIMXIAJGACS-ZIAGYGMSSA-N 384.506 0.269 0 50 GCAA Cn1cc(-c2cccc(CN[C@H]3CCN(c4cc(=O)n(C)c(=O)n4C)C3)c2)cn1 1875397733 LRVUFZCFUCUHAN-SFHVURJKSA-N 394.479 0.853 0 50 GCAA CN1C(=O)[C@@H](CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N(C)C1=O 2356152332 ZATARWLGTADVCE-OAHLLOKOSA-N 396.451 0.536 0 50 GCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1sc(N3CCOCC3)nc1C)C2 2356170035 RMLSBCUURYPJLO-SJCJKPOMSA-N 381.454 0.550 0 50 GCAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3F)CCN2C1=O 14536652 MJDFQFVDWZKZEX-UONOGXRCSA-N 383.445 0.572 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H]3C2)cc1 14749332 DSARYEJOODJIER-HZPDHXFCSA-N 379.482 0.741 0 50 GCAA O=C(O)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(Cc2ccc3c(c2)OCCO3)C1 71750259 BPJIETOOPMSUBP-CVEARBPZSA-N 390.436 0.839 0 50 GCAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)COc3ncccn3)CC2)n1 72437345 KIWNTSJDJHFDIR-UHFFFAOYSA-N 383.456 0.903 0 50 GCAA CCN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 77489504 BDWXSXMCYQTVNP-CVEARBPZSA-N 375.450 0.471 0 50 GCAA COc1cc(CN2CCN(C(N)=O)CC2)ccc1OC[C@H](O)CN(C)C(C)C 95516458 DZQHFDJKYABVBS-QGZVFWFLSA-N 394.516 0.971 0 50 GCAA Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)cn1 216191871 XXTBQQMLEJOVOA-HIFRSBDPSA-N 375.454 0.627 0 50 GCAA Cn1cc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C2CC(O)C2)cn1 219731882 JNKIVWOENJMJLS-FWXSHLFISA-N 379.438 0.982 0 50 GCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@H](CO)CCSC)N=C2O)cc1 252570799 XGLBOTRDEDLQKI-DZGCQCFKSA-N 395.481 0.940 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C(F)(F)F 290302727 CHRZMVIJDSAZJZ-NXEZZACHSA-N 388.799 0.817 0 50 GCAA Cn1cc(CN(C(=O)c2cc(Cl)ccc2F)[C@@H]2CCNC2)c(=O)n(C)c1=O 328655385 YHEPVIIOLXIOGP-CYBMUJFWSA-N 394.834 0.881 0 50 GCAA NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 378295238 OTXGCEYAWAHRSM-INIZCTEOSA-N 394.497 0.209 0 50 GCAA C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(n2cc(Br)cn2)CC1 823561374 KJQRYBNMLYSZTI-NSHDSACASA-N 384.278 0.713 0 50 GCAA O=C(NC[C@H]1CCS(=O)(=O)C1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 952872349 PWWPBQBJUQYWCV-FECGAJCESA-N 394.501 0.455 0 50 GCAA O=C(NC[C@@H]1CCS(=O)(=O)C1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 952872350 PWWPBQBJUQYWCV-URAALMDYSA-N 394.501 0.455 0 50 GCAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 1857697334 PUCGXFWMIYKLIJ-INIZCTEOSA-N 384.484 0.790 0 50 GCAA Cn1cnc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)c1 1857708539 YTKYFKSAUPCFCO-HXUWFJFHSA-N 398.467 0.873 0 50 GCAA CC(=O)N1CCN(C[C@@H](O)C2CCN(C(=O)CCc3cccnc3)CC2)CC1 1857733487 MCFGGOWATXIGAK-HXUWFJFHSA-N 388.512 0.778 0 50 GCAA O=C(CCc1ccccc1)N[C@@H]1C[C@@H](C(=O)NCCn2ccnn2)CC[C@H]1O 1875242072 MCMMFARUHPWFDI-RCCFBDPRSA-N 385.468 0.673 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)c1cc(=O)cc(C)o1 2100483302 KINXGSRJOHKKSF-NUEKZKHPSA-N 378.425 0.721 0 50 GCAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)C2CC(n3ccnc3)C2)ncn1 2325785961 WAOBTUYZBFKTIP-BHUNQDJPSA-N 399.499 0.836 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)c4c[nH]ccc4=O)cc3C2=O)C(=O)N1 2325896326 WKMIYWQFPXEGFJ-HNNXBMFYSA-N 394.387 0.066 0 50 GCAA Cn1nnnc1[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 2356143728 UNZWIQSQYRZZPU-LLVKDONJSA-N 377.348 0.991 0 50 GCAA C[C@@H]1CN(C(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H](C)O1 4784082 VNVVVOPRQHBSTJ-VXGBXAGGSA-N 379.442 0.379 0 50 GCAA O=C1NCCN(C2CCCC2)[C@@H]1CC(=O)N1CCN(c2ccccc2)C(=O)C1 12761637 VAWKKKYWGORZRI-GOSISDBHSA-N 384.480 0.995 0 50 GCAA COc1ccc(CN2C[C@H](OC)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 14535075 MAOUGPVDKWVFCR-HNNXBMFYSA-N 388.424 0.147 0 50 GCAA C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nncn1C 47316994 QPZMKTMBINHFBK-GFCCVEGCSA-N 379.442 0.327 0 50 GCAA O=C(NCCO)c1cn([C@@H]2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1 67588342 RMOOWNVLCSXMIK-SNVBAGLBSA-N 375.351 0.506 0 50 GCAA CCN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 67604155 WVZJGQGWKLWAAE-UHFFFAOYSA-N 394.541 0.542 0 50 GCAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCNC(=O)C3)[C@H]4C2=O)cc1C 77406237 CVAZQXNBQPTTQQ-FUOQNJDISA-N 395.459 0.544 0 50 GCAA CCn1cc(CN2CCN(C(=O)c3ccco3)[C@H]3CS(=O)(=O)C[C@H]32)cn1 82148058 MXDNAOTTWKTSLB-CABCVRRESA-N 378.454 0.620 0 50 GCAA COCCN1CCN(C(=O)Nc2cccc(OC)c2)[C@H]2CS(=O)(=O)C[C@H]21 91997886 UAUPLTIJTPRLSM-CVEARBPZSA-N 383.470 0.657 0 50 GCAA Cc1ccc([C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95383940 WMDPKWAJAZOFEM-PWIZWCRZSA-N 382.464 0.935 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N2CCC[C@H](O)C2)c1 95390810 ADULYMMNBQNVOG-HNNXBMFYSA-N 378.454 0.459 0 50 GCAA COCC(=O)N1CCC[C@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 97514345 FDUODPJNJAROBK-HNNXBMFYSA-N 377.441 0.839 0 50 GCAA COCCNC(=O)CN1C(=O)N[C@@H](c2ccccc2OC)C2=C1COC2=O 169765359 PVTULKWFKVIIHW-INIZCTEOSA-N 375.381 0.335 0 50 GCAA CCN(C(=O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)c1cccc(C)c1 169779310 WQQPTVHZFJUYFZ-UHFFFAOYSA-N 393.465 0.847 0 50 GCAA CCn1nccc1S(=O)(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1 534631148 ZGHZXLUHUOVLPZ-UHFFFAOYSA-N 392.485 0.720 0 50 GCAA O=C(NCCc1nc(-c2cccnc2)no1)c1cn(C[C@@H]2CCCNC2)nn1 670466582 JTSMDGPZCONBQW-CYBMUJFWSA-N 382.428 0.695 0 50 GCAA CNc1nc(N2CCOC3(CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)ncc1F 952969231 SRSMYLCPCPHPCK-HNNXBMFYSA-N 392.479 0.949 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1704330826 GWOWUXMUQBIXKS-FZMZJTMJSA-N 396.918 0.833 0 50 GCAA COc1ccc2[nH]c(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2c1 1704337625 AEGWFNXDMGIEKZ-BLLLJJGKSA-N 381.454 0.813 0 50 GCAA O=C1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)C(=O)N1 1857797880 CFSLJBFMHMPFHO-HNNXBMFYSA-N 392.371 0.413 0 50 GCAA CO[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)N(c2ccncn2)C1 1875393210 JEUWPGSFPWECAM-KBPBESRZSA-N 382.428 0.624 0 50 GCAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)Cn1nnnc1-c1ccsc1)C2 1875394381 HFKNYVCGMPWXFG-LOWVWBTDSA-N 399.436 0.764 0 50 GCAA Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)c2ccccc2)n(C)c1=O 652730 PHONRONVRAWODB-UHFFFAOYSA-N 383.408 0.153 0 50 GCAA biogenic O=c1c2cc3c(=O)n(C[C@H]4CCCO4)c(=O)c3cc2c(=O)n1C[C@H]1CCCO1 1075482 KYCNNXOMFXBVGL-VXGBXAGGSA-N 384.388 0.270 0 50 GCAA NS(=O)(=O)c1ccc(-c2[nH]c(=O)oc2-c2ccc(S(N)(=O)=O)cc2)cc1 2519676 MDQOOBUFFAPIHZ-UHFFFAOYSA-N 395.418 0.597 0 50 GCAA COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 18116080 KFOWHELIARFOSQ-INIZCTEOSA-N 395.419 0.717 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CNC(C)(C)C(N)=O)C2=O)c1OC 67692942 TZPBSSZDDSLWMH-LJQANCHMSA-N 379.457 0.411 0 50 GCAA COCCN1CCN(Cc2nc3c(s2)CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 91536792 PDVZMMSNSDKBIY-CABCVRRESA-N 385.555 0.952 0 50 GCAA O=C(C1CCS(=O)(=O)CC1)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96140258 KHAKCDBOEVVPJD-RDTXWAMCSA-N 379.434 0.901 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCn2cccn2)c1)N1C[C@@H]2CCN[C@@H]2C1 97638026 UYRLNLMRJRGIBL-DOTOQJQBSA-N 389.481 0.296 0 50 GCAA COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)C[C@@H](O)CN2CCN(C)CC2)c1 222020435 YCIKQMVCFZGRDT-HZPDHXFCSA-N 394.516 0.571 0 50 GCAA COc1ccc([C@H](CC(=O)O)NC(=O)CN2CCCS2(=O)=O)cc1OC 262125069 LSHZVNOGIWVZSF-LBPRGKRZSA-N 386.426 0.371 0 50 GCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1=O 286063904 TVHCLYATLHWLDM-IAGOWNOFSA-N 396.447 0.138 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)C[C@H]1O 299761519 UCLUJDCVGFYWME-CHWSQXEVSA-N 379.841 0.451 0 50 GCAA Nc1nnc(SCC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)s1 299767823 VNRHFZBJZGLRCM-UHFFFAOYSA-N 377.459 0.228 0 50 GCAA O=C(NCc1noc(-c2ccccc2)n1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 426371207 TZBUPTDQTJKNMK-QWHCGFSZSA-N 377.426 0.017 0 50 GCAA CCCN1CCN(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)CC1=O 426563533 UMWCXOIISHWEBB-KRWDZBQOSA-N 375.473 0.719 0 50 GCAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C[C@H](O)CN(C)C3CC3)C4)C[C@H]2C1 952890665 GBYWZPSHYJAWAK-ZIFCJYIRSA-N 386.544 0.288 0 50 GCAA Cc1ncc2c(n1)[C@@]1(CCCN(c3nc4c(c(O)nc(=O)n4C)n3C)C1)CC2 1704336871 JYQSBBSAGVJGCQ-IBGZPJMESA-N 381.440 0.955 0 50 GCAA O=C1CN(C(=O)CN2CCN(c3ncccn3)CC2)C[C@H](Cc2ccccc2)N1 1772707303 NJZWQRBOKZWJSP-SFHVURJKSA-N 394.479 0.168 0 50 GCAA CN1CCN(CCNC(=O)[C@@]23CCCCN2C[C@@H](Nc2ncccn2)C3)C1=O 1857690208 WJZZWGGTXAGCEP-KXBFYZLASA-N 387.488 0.369 0 50 GCAA Cc1cc(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)nc(N(C)C)n1 1875397893 RWDGRMNVIRMUHM-HZPDHXFCSA-N 386.504 0.436 0 50 GCAA Cn1[nH]c(=NC(=O)C(=O)N2CCCCNC(=O)C(F)(F)C2)cc1C(F)F 2325780751 NCFZTXZJAUXCBF-UHFFFAOYSA-N 379.314 0.092 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCN(C)CC4)cc3)nn2)CN1 67460146 RWIUBLIVEABZQM-MSOLQXFVSA-N 383.500 0.342 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)nn(C)c1=O 67489475 UMFCONYIWAJJDW-NSHDSACASA-N 376.417 0.429 0 50 GCAA CC(C)[C@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)CCC(=O)N1CC1CC1 71768105 AZMUTTKBOKLXPW-OAHLLOKOSA-N 376.457 0.422 0 50 GCAA Cc1nn(C)cc1CN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91625828 MWDDECKHKDJQPU-UHFFFAOYSA-N 378.502 0.761 0 50 GCAA O=C(NCCc1noc(C2CCC2)n1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 92062289 UZMDJYTXJPRQKC-CABCVRRESA-N 375.473 0.844 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(O)c2)CN1C1CCOCC1 96166625 MVLQSGQVWHFSHK-YJBOKZPZSA-N 375.469 0.809 0 50 GCAA Cc1cc2c(cc1NC(=O)N1C[C@H](O)[C@@H](N3CCN(C)CC3)C1)OCCO2 215537377 JTCLJPCEOHPPIJ-HOTGVXAUSA-N 376.457 0.591 0 50 GCAA Cc1nnc([C@H]2COCCN2S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)o1 333353222 RZINUXGSDHKLQO-CQSZACIVSA-N 384.458 0.482 0 50 GCAA CNC(=O)c1noc(CNC(=O)N2CCCO[C@H](CN3CCCCC3)C2)n1 584893119 GHSJFLIZOGXTPU-CYBMUJFWSA-N 380.449 0.216 0 50 GCAA CCOC(=O)N1CCC(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1 1529197686 UNZVVCHZELABOC-CVEARBPZSA-N 376.413 0.375 0 50 GCAA COc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2ccccc2n1 1704300440 VKZZWVXPWVJDIE-BLLLJJGKSA-N 393.465 0.880 0 50 GCAA COCC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1ccc(C)c(c1)OCCNC(=O)C2 1857713785 NTMPISZZJWWIAI-JKSUJKDBSA-N 389.452 0.630 0 50 GCAA CC(C)c1nnc(N2C[C@H](C(=O)N3CCN(c4nc[nH]n4)CC3)CC2=O)s1 1857715396 PMGSRPZGKOIXOO-LLVKDONJSA-N 390.473 0.481 0 50 GCAA O=C(CN1CCC[C@H](C(=O)NCCN=c2cccn[nH]2)C1)Nc1ccccc1 1875258969 VNWDTSPPAZVDTK-INIZCTEOSA-N 382.468 0.777 0 50 GCAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cnc(CN)nc1C(F)(F)F 1875315299 OHOPHJVHKQCAFV-SNVBAGLBSA-N 375.395 0.871 0 50 GCAA Cn1nnnc1[C@@H]1CN(C(=O)CCc2nc(-c3ccccc3F)no2)CCO1 2100545668 YATFBHJRSYXGPG-ZDUSSCGKSA-N 387.375 0.932 0 50 GCAA COc1cc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 4769956 PTZNYFANTHLYMJ-SNVBAGLBSA-N 375.381 0.584 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCCN(C=O)CC1 11998565 HYOCFMZBIANXHJ-QGZVFWFLSA-N 388.468 0.076 0 50 GCAA O=S(=O)(N1CCOCC1)N1CCN(Cc2nc(-c3ccco3)no2)CC1 44742014 KURSPUFHAUKWGD-UHFFFAOYSA-N 383.430 0.024 0 50 GCAA CNC(=O)Cn1nc(C(=O)N2CCO[C@@H](C(=O)N3CCCCCC3)C2)cc1C 72407188 XCVWZTMEYFEJQB-MRXNPFEDSA-N 391.472 0.181 0 50 GCAA O=C(C1CC1)N1CCN(C(=O)c2cc(C3CC3)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72436206 HGXVGWRYCPWCLH-CABCVRRESA-N 378.454 0.147 0 50 GCAA CC(C)CCN1CC2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)OC1=O 77424621 UXFOBZWXUBXSSF-ZDUSSCGKSA-N 380.445 0.834 0 50 GCAA CC(C)[C@@H]1CN(Cc2cccc(OCCO)c2)C[C@H]1NS(=O)(=O)N(C)C 95363614 UFFYTOMJKNZIAM-ZWKOTPCHSA-N 385.530 0.910 0 50 GCAA CN(C)c1cnn(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c(=O)c1 95498635 XCJDJNABGKQGKC-UHFFFAOYSA-N 382.424 0.799 0 50 GCAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1 215519481 QYOMRPZEEJHWJW-OAHLLOKOSA-N 376.438 0.552 0 50 GCAA Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)n(C)n1 266569513 PWEHGBGLUKMJEV-HUUCEWRRSA-N 398.471 0.592 0 50 GCAA C[C@@H]1OCC[C@]1(O)Cn1cnc2c(N3CCC[C@H]4C(=O)N(C)C[C@H]43)ncnc21 888096164 VNUZENFOZQMCOW-HLBODDRNSA-N 386.456 0.423 0 50 GCAA CN1CCN(C[C@@H]2CN(C(=O)Nc3ccc(C(F)(F)F)nn3)CCO2)CC1 930892239 HYJKIDYPHNIZBB-GFCCVEGCSA-N 388.394 0.976 0 50 GCAA O=C(NCC1CCN(C(=O)c2ccc(-n3cnnc3)nc2)CC1)[C@H]1CCOC1 952860531 PVEUWAYECDRLFR-INIZCTEOSA-N 384.440 0.667 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]2C2CC2)CC1 1875268143 QADWZECFMMDKPH-GOEBONIOSA-N 388.443 0.878 0 50 GCAA CC(=O)N1CC(C(=O)NC[C@H]2[C@@H]3CN(C(=O)c4cccc5nc[nH]c45)C[C@H]23)C1 1875360285 DOQZWXHEIDYGDI-PHZGNYQRSA-N 381.436 0.475 0 50 GCAA Cn1nc(C2CC2)cc1CNC(=O)[C@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1875395844 NKUFPPANABNZCW-MRXNPFEDSA-N 392.485 0.206 0 50 GCAA CCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)cc(Br)c1 2325874737 ZFIIATKUSGRKDK-UHFFFAOYSA-N 386.293 0.249 0 50 GCAA CC1(C)CNCCN1C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325890765 QPXUKGXTIDBQAJ-HNNXBMFYSA-N 384.436 0.272 0 50 GCAA Cc1nnc(N2C[C@H]3[C@H](C2)[C@H](O)[C@@H](O)[C@H](C)[C@@H]3C(=O)NC2CCCC2)s1 2356144564 DJFVLBAUZCAGKE-AHWPKJFASA-N 380.514 0.945 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356147520 ZZZLBYMWASCVAB-RBUKOAKNSA-N 381.480 0.976 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCN1CCCCC1 20536589 AMBREQHTCLARHT-SFHVURJKSA-N 388.512 0.988 0 50 GCAA OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O 25995248 FSKMJUWPFLDDRS-XWRAYQHHSA-N 383.408 0.537 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CNC(C)(C)C(N)=O)C2=O)c1OC 67692944 TZPBSSZDDSLWMH-IBGZPJMESA-N 379.457 0.411 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCCNCC3)C2=O)c1OC 67805060 HTPMNVCPBZCMCE-FQEVSTJZSA-N 377.485 0.853 0 50 GCAA CC(C)Cc1nc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)no1 67981852 QDUUWTDRVYKNHM-JKSUJKDBSA-N 393.488 0.995 0 50 GCAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCNC(=O)CC3)[C@H]4C2=O)c1 77420620 ZESMVEQTQPWRDO-FUOQNJDISA-N 395.459 0.626 0 50 GCAA COCCN1C[C@@H]2CN(Cc3cnc(N4CCCC4)nc3)C[C@]2(C(=O)O)C1 96136223 DLXAUPXCPDYIAQ-VQIMIIECSA-N 375.473 0.542 0 50 GCAA CCSc1nnc(NC(=O)CN2CCN(c3nccnc3O)CC2)s1 253536746 NBESYGPMXLWFEQ-UHFFFAOYSA-N 381.487 0.906 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc3c2ccn3C)C[C@H]1O 299793090 IWUNQLKLKUFUBF-GDBMZVCRSA-N 380.470 0.150 0 50 GCAA O=S1(=O)CCCN1[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 332996553 AFJBIRUTZRMSFX-QGZVFWFLSA-N 399.538 0.789 0 50 GCAA CCCCN1CCn2nc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2C1 426397637 UGMFMLMCVDEYIH-INIZCTEOSA-N 383.518 0.539 0 50 GCAA NC(=O)CN1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1=O 457635960 ZMDNOPRQKPQVHQ-UHFFFAOYSA-N 376.310 0.684 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCN(CCOC)C2)cs1 952973576 UUPFYBYAFWZGOM-LBPRGKRZSA-N 375.516 0.697 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(-c2ccccc2)no1 1704297622 CGFQYQZMKBZJHC-DZGCQCFKSA-N 379.438 0.978 0 50 GCAA O=C(CCc1cccnc1)N1C[C@H]2CN(C(=O)C3CCOCC3)C[C@@]2(CO)C1 1772709719 MJRTZHSNRVGVLU-GHTZIAJQSA-N 387.480 0.720 0 50 GCAA Cn1c(O)nnc1CCNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772817887 ZOMYRVVAKATEFJ-NSHDSACASA-N 392.485 0.278 0 50 GCAA COCC(=O)N1CCN(C(=O)c2cccc(OC)n2)CCC12CCOCC2 1775962847 OIOHDFNAXZZKOC-UHFFFAOYSA-N 377.441 0.960 0 50 GCAA Cc1cc(-c2nc(CC(N)=O)nn2[C@H]2CCS(=O)(=O)C2)n(C(C)(C)C)n1 1857698113 XXQUBFVHXFDKCY-NSHDSACASA-N 380.474 0.592 0 50 GCAA C[C@@H]1C[C@@H]2CN(C(=O)C3CCN(c4cccc(C(N)=O)n4)CC3)CCN2C1=O 1875308230 VCRSHNUDANLJDH-UKRRQHHQSA-N 385.468 0.476 0 50 GCAA N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 2325800568 UFZNDMSOHBZZDJ-DMHZWDKTSA-N 379.457 0.965 0 50 GCAA CN1CCn2[nH]c(=NC(=O)C(=O)N[C@H](CN)c3ccc4ccccc4c3)cc2C1 2325859900 PBJPSFVAAUYHIC-GOSISDBHSA-N 392.463 0.658 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2[C@H]1C(=O)NC1CC1 2356149873 XQTKIRAZMFTDKO-CIDJKDSUSA-N 382.464 0.949 0 50 GCAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccc(Cl)cn2)CC1 20204942 ARZUFOCRQABPHM-HNNXBMFYSA-N 379.892 0.983 0 50 GCAA CCSc1nnc(NC(=O)CN2CCN(S(=O)(=O)CC)CC2)s1 65376169 SVGYOQZCBSUPFK-UHFFFAOYSA-N 379.533 0.556 0 50 GCAA NS(=O)(=O)c1ccc(Cn2cnc3sc4c(c3c2=O)CCNC4)cc1 65492424 KJRCVTNUCDQTNL-UHFFFAOYSA-N 376.463 0.799 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)nn(C)c1=O 71278916 UVDGLFMIHNYLCP-GFCCVEGCSA-N 382.424 0.858 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1nc[nH]n1)CO2 71758835 MCPGFYCHGRDDRL-CYBMUJFWSA-N 388.428 0.085 0 50 GCAA COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 72446683 MKTIIUQVFFNBHD-AWEZNQCLSA-N 385.486 0.838 0 50 GCAA Cc1cc(C)cc(C(=O)N2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77380465 QAPUZEHPWOZNPX-JKSUJKDBSA-N 379.482 0.908 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(C(F)(F)F)c1)CCN2CCO 95376869 RVVJOJPGLBTLTN-CABCVRRESA-N 378.416 0.981 0 50 GCAA O=C(NCCc1noc(C2CCC2)n1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 96135892 MELRGKIRTOEJBB-CABCVRRESA-N 391.472 0.080 0 50 GCAA O=C(O)c1cccc(S(=O)(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c1 220111839 KMHNWKWWONZFRR-OAHLLOKOSA-N 381.410 0.202 0 50 GCAA N[C@H]1CC[C@@H](n2cc(C(=O)NCCc3noc([C@H]4CCCO4)n3)nn2)CC1 244778600 PTNAEKYOSBYVRB-MBNYWOFBSA-N 375.433 0.928 0 50 GCAA CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 274945575 NGGASAUUENQAHD-QGZVFWFLSA-N 377.489 0.516 0 50 GCAA O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(N2CCCCCC2)nc1 298757419 JFIKLIULZMQZPU-UHFFFAOYSA-N 380.514 0.922 0 50 GCAA Cc1nn(CC(N)=O)c(C)c1-c1cccc(C(=O)NCCS(C)(=O)=O)c1 299773007 CBUVCAIHALLZSK-UHFFFAOYSA-N 378.454 0.427 0 50 GCAA CC(C)c1noc(C2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 952963314 JGPKZWSZVSVKSF-GFCCVEGCSA-N 377.488 0.889 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@H]1O 1529114637 RFOOIFYHIOJCDF-CMPLNLGQSA-N 378.397 0.612 0 50 GCAA COCCC(=O)N1C[C@H]2CN(Cc3nc(-c4ccco4)no3)C[C@]2(CO)C1 1772700613 HDYNSOMHGACNBE-FZKQIMNGSA-N 376.413 0.619 0 50 GCAA C[C@@]1(CNC(=O)CC2(O)CCC2)CN(C[C@H](O)COCC(F)(F)F)CCO1 1775994842 IUOMYBBZUVJLJP-DZGCQCFKSA-N 398.422 0.438 0 50 GCAA COCCCNC(=O)c1cc2c(s1)CCOC21CCN(C(=O)CN)CC1 1857685776 TUNYXFISFBYCDQ-UHFFFAOYSA-N 381.498 0.864 0 50 GCAA CNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1 1857709234 MDNFOTWWDMHOLW-PBHICJAKSA-N 379.438 0.158 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12 1875248114 ZLMFPNUWIWFYTP-VGDUNAEUSA-N 386.404 0.221 0 50 GCAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCN2CCS(=O)(=O)C[C@H]2C1 1875311371 WYJSGZZNMBRQHD-LLVKDONJSA-N 392.403 0.792 0 50 GCAA C[C@@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCNC1 2325896921 KMAKSTNTNIPYDI-FOIQADDNSA-N 384.436 0.177 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)N2CCN(CCO)CC2)CC[C@H]1Nc1ncccn1 2356142748 FUHBQYSKHYXTHO-RCCFBDPRSA-N 391.516 0.989 0 50 GCAA CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 622466 LRWILLAGMAMTBU-UHFFFAOYSA-N 382.468 0.808 0 50 GCAA O=C(c1ccc(O)cc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67723336 GNJZYPNDXIJQMK-DLBZAZTESA-N 375.425 0.760 0 50 GCAA CCn1ccc(C(=O)N2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)n1 71551757 IMIGPOYWVKEKPV-JKSUJKDBSA-N 377.445 0.271 0 50 GCAA CC(C)CN1CCn2nc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2C1 82127682 YZGDVOMBQIVLII-UHFFFAOYSA-N 376.461 0.301 0 50 GCAA O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(c2ncc[nH]2)CC1 328591284 JDOZNKUCAPINFK-UHFFFAOYSA-N 375.454 0.912 0 50 GCAA COC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@H]3CCOC[C@H]32)s1 366335088 VHODLJZXOPBPPM-OLZOCXBDSA-N 390.483 0.825 0 50 GCAA Cc1cccc(Cl)c1OCCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426473729 XKEYOOBMYPNLAX-LLVKDONJSA-N 378.816 0.758 0 50 GCAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(CNC(=O)c3ccoc3)CC1)CC2 952978394 LUMTVYZQKWSPAS-AWEZNQCLSA-N 387.440 0.406 0 50 GCAA COCCN1C[C@H](C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)CC1=O 952978826 ZVEXEOAKIAZBAM-MRXNPFEDSA-N 377.441 0.743 0 50 GCAA Cc1cc(N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c2cc3c(cc2n1)OCO3 1529110820 QBFARWDLBZBOIB-LRDDRELGSA-N 393.465 0.960 0 50 GCAA C[C@H]1CN2C[C@H](NC(=O)c3ccc4c(c3)nc(N3CC[C@H](O)C3)n4C)C[C@H]2CO1 1857703820 SQPGRHNXCHMBKS-ORQFMDKSSA-N 399.495 0.736 0 50 GCAA C=CC(=O)N1CCCc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)ccc21 1875371514 DKJJEZFCGMOVPA-RTBURBONSA-N 385.464 0.669 0 50 GCAA COc1ccc(CC(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c(F)c1 1875401022 QQQPXMNRFWBYLO-LBPRGKRZSA-N 376.388 0.571 0 50 GCAA CN1CCN(c2cccc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)n2)CC1 1875402256 CZFVMOAZCKJFTO-KBAYOESNSA-N 384.484 0.599 0 50 GCAA Cn1cc(Br)c(OCC(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)n1 1875403006 ORAQTWCKRAWDKS-CYZMBNFOSA-N 398.261 0.714 0 50 GCAA Cc1ncn(CCNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3cncc(F)c3)C2)c1C 2100483159 VRFPQRGCUPWSKV-JQFCIGGWSA-N 389.431 0.720 0 50 GCAA C[C@]1(C(F)F)C[C@H]1C(=O)N1CCN(C(=O)c2nc[nH]c3ncnc2-3)[C@H](CO)C1 2325879422 UWWCWHZDANJFGI-YMNVWFMLSA-N 394.382 0.241 0 50 GCAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)COc2ccc3nncn3n2)C1 2356157380 IBKZTJIDWUHEHO-SFHVURJKSA-N 380.412 0.212 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2SC1 6318100 PQIJLDPZHHQMJA-WBMJQRKESA-N 394.380 0.741 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO)cc1 12718884 JTBYVCUVPYFPLV-QGZVFWFLSA-N 377.485 0.911 0 50 GCAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCCc1ccncc1 20914559 WNHXJPVLHXNROY-UHFFFAOYSA-N 377.452 0.985 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(C)(C)O)CO2 71763764 HKXZYANHXQTPDB-CQSZACIVSA-N 379.457 0.537 0 50 GCAA O=C1NCCN(Cc2ccc(F)c(F)c2)[C@@H]1CC(=O)N1CCc2n[nH]cc2C1 72121676 QOAALVOAWYXAIG-QGZVFWFLSA-N 389.406 0.963 0 50 GCAA CCn1cc([C@@H]2N[C@@](C(=O)OC)(c3ccccc3)[C@@H]3C(=O)N(C)C(=O)[C@H]23)cn1 210093185 ZJLXMSGFOFWRGZ-ULMVMLMRSA-N 382.420 0.847 0 50 GCAA COc1ccc(NC(=O)N2CCN(c3cnccn3)CC2)cc1-n1cnnn1 266363447 DUUGMIRQZGWRGY-UHFFFAOYSA-N 381.400 0.815 0 50 GCAA O=C(N1CCCC1)N1CCC[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 329079013 QRKAOKHPZNNREQ-HUUCEWRRSA-N 397.501 0.803 0 50 GCAA C[C@H](OC1CCCCCC1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 330003427 BTSWZQPSTXSBQL-USXIJHARSA-N 388.530 0.416 0 50 GCAA Cc1cc(-c2cc(S(=O)(=O)NC[C@@H]3CN(C)C(=O)CO3)c(C)s2)n[nH]1 1506401570 DVMQDVDZVJWMSG-LLVKDONJSA-N 384.483 0.891 0 50 GCAA O=C(Cn1ccc(=O)cc1)N1C[C@H]2COC[C@@H](C1)CN2Cc1cccc(O)c1 1704306609 VSMIBEKERXXEEF-MSOLQXFVSA-N 383.448 0.913 0 50 GCAA CN1C[C@H]2CCCN(C2)C(=O)CCCn2cc(nn2)Cn2cccc(c2=O)C1=O 1704321339 JNMQOXFKEVYUAW-OAHLLOKOSA-N 398.467 0.593 0 50 GCAA COc1ccc(Cl)c(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)n1 1857533001 VHTDYVKLKFYXEX-JTQLQIEISA-N 393.831 0.150 0 50 GCAA CC(C)n1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)CN2CCCNC2=O)n1 1875311777 AADLZEQCMLORBL-OAHLLOKOSA-N 390.488 0.942 0 50 GCAA COc1ccccc1C(=O)N[C@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@@H]1O 2100545695 YVKYXKGUYUEXAN-XIRDDKMYSA-N 386.452 0.968 0 50 GCAA C[C@@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCCNC1 2325896943 KWUOIRIWPMSNTR-HRAATJIYSA-N 398.463 0.567 0 50 GCAA CSc1nnc(CC2CCN(C(=O)[C@@H]3C[C@@H](C)NC(=S)N3)CC2)n1C 55074229 ODBAXBGYPHHYAB-PWSUYJOCSA-N 382.559 0.943 0 50 GCAA CN1CCN(CCOc2ccccc2[C@H]2N[C@@](C)(CO)[C@H]3CN(C)C[C@@H]23)CC1 65493110 XHOHVBLOMWBHTN-KIZRIRGWSA-N 388.556 0.886 0 50 GCAA CCCn1ccnc1CN1CCN(Cc2c[nH]cn2)[C@H]2CS(=O)(=O)C[C@H]21 72435338 NKWCTDQIYLNENJ-JKSUJKDBSA-N 378.502 0.500 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)no1 95382738 VLSMLWCJKFYPRY-UHFFFAOYSA-N 378.454 0.849 0 50 GCAA CCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 95503078 OSIJCMLIOOWXTF-KGLIPLIRSA-N 390.458 0.234 0 50 GCAA CN(C)C1=NC2(CCN(C(=O)[C@@H]3CCN(c4ccccc4)C3=O)CC2)C(=O)N1 95527034 OXEBBQSXSSVWKE-HNNXBMFYSA-N 383.452 0.448 0 50 GCAA CCc1nc(-c2cccn(C)c2=O)n(-c2cc(S(N)(=O)=O)ccc2F)n1 96138326 ZECMZQWXISTHOC-UHFFFAOYSA-N 377.401 0.982 0 50 GCAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 194226821 VWKKNDTXPVJQJH-LKFCYVNXSA-N 393.241 0.800 0 50 GCAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 868340441 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COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)cc(OC)c1 15065723 ZLRZCHPFKIUMIS-KRWDZBQOSA-N 393.484 0.529 0 50 GCAA CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C(=O)Nc2cccnc2)cc1 65375669 BTYYVJZLQHEJPR-KRWDZBQOSA-N 381.436 0.770 0 50 GCAA CCc1nccn1CC(=O)N1CCN(CC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72458104 PMTWBMQPFRBLMM-CVEARBPZSA-N 380.514 0.722 0 50 GCAA CCOc1ncccc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 91410158 AECJPCZJJHMXJY-HZPDHXFCSA-N 376.457 0.181 0 50 GCAA Cc1cccc(CC(=O)N2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 91425202 BIWAJVDTCFHCRR-CVEARBPZSA-N 380.466 0.322 0 50 GCAA CCCNc1ncc(CN2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cn1 95363004 KGZPLMCDWSSLFF-NVXWUHKLSA-N 383.518 0.517 0 50 GCAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)Cn1ncc(N2CCCCC2)cc1=O 95526993 SKGXFCZACQVZNJ-GOSISDBHSA-N 375.473 0.559 0 50 GCAA O=C(NCCN1CCc2ccccc21)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 96132905 RVAPWABRSXVTDZ-QZTJIDSGSA-N 386.496 0.250 0 50 GCAA Cc1ccnn1CC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96159646 BHRUXRASGTWOCG-UHFFFAOYSA-N 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O=C([C@H]1CCCCn2nnnc21)N1CCc2nc(C3CCOCC3)nn2CC1 2356162432 CDWOVSJLEKEWOD-AWEZNQCLSA-N 386.460 0.511 0 50 GCAA Cc1cc(CN(C)C(=O)[C@H]2CC[C@@H](NC(=O)c3[nH]nnc3C)[C@H](O)C2)no1 2356169466 RMFWFTRTCMRQIK-IACUBPJLSA-N 376.417 0.328 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)CN(c3ccccc3)C2=O)cc1 2997750 ASUKXQLKCQIEMV-UHFFFAOYSA-N 388.405 0.741 0 50 GCAA CCN1CCN(S(=O)(=O)c2cn(CC(=O)O)c(=O)c3ccccc23)CC1 6438654 FALHOPYLMPUVHI-UHFFFAOYSA-N 379.438 0.412 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(O)CC2)c(F)c1 12701436 FHQKEACFHUWIMZ-QGZVFWFLSA-N 379.432 0.508 0 50 GCAA O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ncc2c(n1)CCCC2=O 35771236 WFENUMRQKFZRFQ-UHFFFAOYSA-N 383.408 0.985 0 50 GCAA CC(=O)NC1CCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1 67758992 QBYCIVWQHBUNAB-UHFFFAOYSA-N 387.483 0.381 0 50 GCAA CCNC(=O)CN1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71479393 SWYAADPPXBCQSC-QGZVFWFLSA-N 379.549 0.073 0 50 GCAA CN1CCC(O)(CNc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)CC1 72477940 CADFCNWXXOXGPG-ZDUSSCGKSA-N 383.518 0.216 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O=C(c1cccc(S(=O)(=O)NCCn2cccn2)c1)N1CCCNCC1 97717130 BXBNRJCVCQLUCB-UHFFFAOYSA-N 377.470 0.297 0 50 GCAA CN(CCc1ncon1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 215588118 BKOJNJWETZMZQP-UHFFFAOYSA-N 380.426 0.405 0 50 GCAA CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 230198778 KMIZBXMQSFDTQB-HOTGVXAUSA-N 377.466 0.206 0 50 GCAA Nc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)s1 244701121 KAOPEBQOSDRKLR-GFCCVEGCSA-N 378.433 0.266 0 50 GCAA N=C(N)NC(=O)c1nc(Cl)c(CNC(=O)OCc2ccccc2)nc1N 257354855 BZFSCPCQGSQUIC-UHFFFAOYSA-N 377.792 0.762 0 50 GCAA O=C([C@H]1CN2CCCN1CC2)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 329159287 XNCPDNUCVMPGKK-OLZOCXBDSA-N 388.394 0.130 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(N2CCCC2)cc1 1704298230 HUCFQVDIONRYAH-RDJZCZTQSA-N 381.498 0.923 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)NCc3nc(-c4ccccn4)no3)CC2=O)s1 1857730494 ULNBTKWSDGDRAT-SNVBAGLBSA-N 385.409 0.961 0 50 GCAA O=C1CN(C(=O)[C@H]2CC[C@H]3OCCN(C(=O)c4ccncc4)[C@@H]3C2)CCCN1 2100555496 UCQRSOMMLQFOLN-GVDBMIGSSA-N 386.452 0.440 0 50 GCAA Cc1nsc(C(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)n1 2325895921 MSNIJRMAXNCGGV-CYBMUJFWSA-N 399.432 0.538 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCc1cccc2ncnn12 2356141749 ODTYLVKIDAIIDT-KRWDZBQOSA-N 396.426 0.875 0 50 GCAA O=S(=O)(O)c1cc(O)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1 1669724 KMXMLAGYNHELHA-UHFFFAOYSA-N 384.365 0.286 0 50 GCAA CNC(=O)C(=O)NCCN1CCN(C(=O)c2cccc(Br)c2)CC1 19831100 UGXGTNQVRFAPLO-UHFFFAOYSA-N 397.273 0.069 0 50 GCAA CN(C)[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)C1 95500724 PSWXOGMTYZZUDI-HNNXBMFYSA-N 381.498 0.778 0 50 GCAA CC(C)[C@@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 113080402 VEGGTWZUZGZKHY-HUUCEWRRSA-N 379.461 0.034 0 50 GCAA CN(C)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 170613216 NUKOMCVYJPOOFB-CABCVRRESA-N 375.516 0.891 0 50 GCAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCSc2nncn2C)[C@@H]3C1=O 219210878 PXEBPZHLFGDKAO-JRATXPSKSA-N 377.470 0.214 0 50 GCAA Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)N[C@H]1CCN(C)C1=O 273738563 SXAFGMMIBTVFCU-JTQLQIEISA-N 391.243 0.965 0 50 GCAA CC1=C(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)Cn2nnnc2N1C 283211162 XLNXQCHRPZUEKX-JTQLQIEISA-N 375.462 0.220 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 328615191 YARPTIXYXFADAS-MJBXVCDLSA-N 385.490 0.342 0 50 GCAA COCCn1cnnc1CCNC(=O)N1CCOc2ccc(CO)cc2C1 426538016 BEMGSILLYOHFLR-UHFFFAOYSA-N 375.429 0.564 0 50 GCAA COc1ccc(S(=O)(=O)N2CCn3nc(CNC(C)=O)cc3C2)cc1F 426571826 SMKQYTBJZFDXDZ-UHFFFAOYSA-N 382.417 0.871 0 50 GCAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)CS(C)(=O)=O 788418457 YPUXDHSPWRZVAR-VIFPVBQESA-N 399.874 0.603 0 50 GCAA Cn1nc(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)cc1Cl 863263291 OHNKJRVMAAXBCQ-UHFFFAOYSA-N 387.625 0.631 0 50 GCAA Cc1noc(C)c1CC(=O)N1C[C@H]2CN(C(=O)c3ccc(N)nc3)C[C@@]2(CO)C1 1772712373 QTTGINDBPLFCBM-MGPUTAFESA-N 399.451 0.404 0 50 GCAA Cc1cc(CN(C)C(=O)[C@]23COC[C@H]2CN(CCN2CCOCC2)C3)on1 1857686899 GYOLDTBFGMNNBZ-VQIMIIECSA-N 378.473 0.222 0 50 GCAA CN(C)CCN1CCOC2(CCN(c3nccnc3N(C)C)CC2)CC1=O 1857687038 ITDJJXRDQYSXIP-UHFFFAOYSA-N 376.505 0.692 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3c(F)cccc3F)C[C@@H]12)c1cnc[nH]1 1857705079 RMVKAAVMZPBWSC-XZJROXQQSA-N 396.419 0.715 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@@H]12 1857711035 XZSBGBRSLGTFHC-JQHSSLGASA-N 393.509 0.322 0 50 GCAA COCc1nccc(=N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)[nH]1 1875397589 GMIHZQWAGFNNAP-CQSZACIVSA-N 385.472 0.844 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(F)ccc2N2CCOCC2)N1C 1875402445 GYRYJULYEHLDOM-KUHUBIRLSA-N 381.448 0.474 0 50 GCAA Cc1nc(C(=O)N2CCc3c(O)ncnc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404074 SZRNZZAWUMUANN-CQSZACIVSA-N 397.483 0.928 0 50 GCAA C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cnc(N)c(Cl)c2)C[C@@H](C)O1 2325720301 BYXJEUYFBNBAAA-NXEZZACHSA-N 376.866 0.486 0 50 GCAA O=C1CC[C@H](N2Cc3c(NCC(=O)N4CC=CCC4)cccc3C2=O)C(=O)N1 2325893077 FESLOIOMOBZMOB-INIZCTEOSA-N 382.420 0.648 0 50 GCAA N[C@@H]1CCC[C@H](CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C1 2325896712 DUHGFOHQTOMFDW-XGWLTEMNSA-N 398.463 0.695 0 50 GCAA CCc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 20819833 ZVUIRURVTASLHU-UHFFFAOYSA-N 396.557 0.769 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCn3ccnn3)C2=O)c1 67714003 SRVLBPWJTLWYBR-SFHVURJKSA-N 377.420 0.569 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)CCn3cccn3)CC2)C1 71762927 HOLKMYJEZPCLKX-KRWDZBQOSA-N 391.516 0.739 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCN(C)C)[C@@H]4C2=O)c1 77515704 MSGXJYKWCNGJAS-JYLXEMOASA-N 399.491 0.997 0 50 GCAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CNS(=O)(=O)c1cccs1)CC2 91321686 KXBOEILDFMZWTQ-OLZOCXBDSA-N 388.511 0.805 0 50 GCAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CCC1=O 91644049 GAFAOHFMPJZAJD-IBGZPJMESA-N 378.473 0.816 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)[C@H]3Cc4ccccc4CN3)cc2C1 91964564 AMYAQFIGWSHIOP-GOSISDBHSA-N 382.468 0.711 0 50 GCAA CCn1nc(C)c([C@H](C)NC(=O)Cn2nnnc2CN2CCOCC2)c1C 95519766 LNBJPTIAKVUETE-LBPRGKRZSA-N 376.465 0.216 0 50 GCAA COc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ncc[nH]3)C2)o1 96152120 AFMOFNVPRNUFFC-OLZOCXBDSA-N 375.429 0.909 0 50 GCAA Cc1ccc(CCC(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1 96153721 VSIFGEZHDOKCFJ-CRAIPNDOSA-N 380.466 0.732 0 50 GCAA NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1 170609782 NQNOOUISXWWSCJ-OAHLLOKOSA-N 377.470 0.698 0 50 GCAA O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H]3C2)c1 195302544 ZJZADHPXHMBLBM-TXEJJXNPSA-N 377.388 0.819 0 50 GCAA COc1ccccc1CCN1C(=O)[C@@H](CC(=O)NCCn2cccn2)N=C1O 252535887 HBWSAEFKQOAHPV-OAHLLOKOSA-N 385.424 0.766 0 50 GCAA COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@@H](CC(=O)O)C3)CC2=O)cc1 262879321 YSEWPZLRMKNEMO-HOCLYGCPSA-N 376.409 0.746 0 50 GCAA CN(C)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299759883 OLHNPTYOTKPJNN-GOSISDBHSA-N 393.459 0.985 0 50 GCAA CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc(C)c2Cl)CCO1 844894792 AOOVRXKWVVXSBL-LBPRGKRZSA-N 390.845 0.872 0 50 GCAA NC(=O)c1cccnc1N1CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 952980177 DDYVHZQXKORHSK-MRXNPFEDSA-N 397.483 0.884 0 50 GCAA Cn1cc(S(=O)(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)cn1 1565506179 GOILNZZTLNUDDR-GJZGRUSLSA-N 380.426 0.034 0 50 GCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1nn(Cc2ccccc2)c2ncccc12 1857708430 UAXPWQXGAROQON-JZXOWHBKSA-N 382.420 0.720 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCc4c(O)nc(C)nc4C3)CC2=O)s1 1857720412 SUABBPPFWXPQAS-JTQLQIEISA-N 388.453 0.842 0 50 GCAA Cc1ccc2nc(N3C[C@H](C(=O)N4CC5(CNC(=O)N5)C4)CC3=O)sc2c1 1857723573 LRFCLPYXFJQYFZ-LLVKDONJSA-N 385.449 0.851 0 50 GCAA CN1CCC(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)(c2ccccc2)CC1 1857740846 PFNMQRKZQYWWCS-UFYCRDLUSA-N 387.524 0.990 0 50 GCAA NCC[C@@H]1CCCCN1C(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895812 KMOFQWCDFAMOEP-SUMWQHHRSA-N 398.463 0.791 0 50 GCAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCN(CCO)CC1 2356143527 LPMRPOXDANOLEN-CEQIKUNHSA-N 384.480 0.455 0 50 GCAA 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382.468 0.857 0 50 GCAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 888089635 UBXZGXFALQDTLO-CQSZACIVSA-N 393.359 0.296 0 50 GCAA CN1C(=O)[C@@H](CC(=O)N2CCC(CNC(=O)c3ccco3)CC2)N(C)C1=O 952973545 AMGJMJBRBAXXJY-CYBMUJFWSA-N 376.413 0.531 0 50 GCAA Cc1ncnc(N2CCN(c3cncc(C(=O)N4CCOCC4)n3)CC2)c1C 1529168317 ACGWHRYIJMYQTJ-UHFFFAOYSA-N 383.456 0.682 0 50 GCAA NC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)CCc3cccnc3)CC2)C1 1529179444 AZJDDJTVXMXZED-QGZVFWFLSA-N 387.484 0.866 0 50 GCAA COCC(=O)N[C@]1(C)CCOC2(CCN(c3cncc(N(C)C)n3)CC2)[C@H]1O 1772706177 YFJCQDAYKHHLBW-ZWKOTPCHSA-N 393.488 0.184 0 50 GCAA COCCN1CCN(C(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857700855 ABOPIXNWFMMIAL-ZDUSSCGKSA-N 381.502 0.805 0 50 GCAA O=C([C@H]1CCOC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857725701 IYGYGEINIUMTNU-AWEZNQCLSA-N 388.468 0.862 0 50 GCAA COC[C@@H](F)CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 2325769176 QXCZEJSDEZDEJJ-AWEZNQCLSA-N 382.440 0.129 0 50 GCAA 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FTPLAZRHNBQKDZ-GFCCVEGCSA-N 375.429 0.858 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CN2CCOCC2)CN1Cc1ccc(C)o1 91621334 ICJIDHCTDJKWLF-WBVHZDCISA-N 378.473 0.115 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1c(=O)oc3ccccc31)C2 95366993 RKBJNIMGIHVVQC-QWHCGFSZSA-N 379.438 0.477 0 50 GCAA Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H](Cc3ccccc3)C1)c(=O)n2C 125779977 QQLJVRJDRKHPSS-HNNXBMFYSA-N 381.436 0.525 0 50 GCAA Cn1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cn1 173530736 KXRDBEDHSZETKL-UHFFFAOYSA-N 377.426 0.376 0 50 GCAA C[C@H](CN1CCN(C)CC1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 184703905 DGMXCHCZJXGEAI-OAHLLOKOSA-N 380.514 0.621 0 50 GCAA Cc1occc1C(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 222256801 SYFZEOOCEDXYQY-CVEARBPZSA-N 389.433 0.747 0 50 GCAA C[C@@]1(C2CCN(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)NC(=O)NC1=O 485611418 FYHJQLZVLMFACG-SFHVURJKSA-N 385.380 0.412 0 50 GCAA N=c1cc(-c2cccc(C(=O)NC[C@H](O)CN3CCCCCC3)c2)[nH]c(=N)[nH]1 534592740 GTDPMQVCDOBMQP-INIZCTEOSA-N 384.484 0.935 0 50 GCAA CC(=O)NCC(=O)N1CC[C@@]2(CN(Cc3cccc(-n4cccn4)c3)CCO2)C1 1857681788 NRXCNTKKHPJZDI-OAQYLSRUSA-N 397.479 0.812 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCCn3cc(C)nn3)CC2=O)s1 1857716430 MKIJICHYWZXHQK-LLVKDONJSA-N 379.446 0.144 0 50 GCAA CN(CCNC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1)S(C)(=O)=O 1857722139 CUYIRHANIHXJFG-NSHDSACASA-N 396.494 0.657 0 50 GCAA CS[C@H](C)C(=O)N1CCCO[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)C1 1875302327 LAUOFZSBCZXNPX-OLZOCXBDSA-N 394.559 0.685 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(CCN(C)C)cc1)C2 1875396141 WYENVFPGMBZHDZ-INIZCTEOSA-N 393.509 0.166 0 50 GCAA CS(=O)(=O)[C@H]1C[C@@]1(CN)C(=O)N[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2 1875404419 IJQBTSOEOWCWMB-ILYVXUQDSA-N 377.510 0.528 0 50 GCAA Cn1nnnc1[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CCO1 2100543143 MWIQKVGHKDUMEF-AWEZNQCLSA-N 379.804 0.777 0 50 GCAA Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)NCCCn3ccnn3)C[C@@H]2O)no1 2356169669 GRMZEGNENSDOOQ-YDHLFZDLSA-N 376.417 0.040 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCN(C)C(=O)C3)C2=O)c1OC 67884029 UOSCWVXOZSKULB-HXUWFJFHSA-N 391.468 0.331 0 50 GCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3cc(=O)c4ccccc4[nH]3)C2)cc1=O 72171120 CZVYOUNCGYYMGR-ZDUSSCGKSA-N 379.420 0.878 0 50 GCAA Cc1noc(CN2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 72418407 SGRLVIXDIDJKCO-AWEZNQCLSA-N 375.477 0.843 0 50 GCAA CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)Cn1cnnn1)CC2 77287816 DDDXYOOJFUMPSP-UHFFFAOYSA-N 378.458 0.287 0 50 GCAA Cn1ncc(N2CC[C@H](CNC(=O)c3ccccc3-c3nc[nH]n3)C2)cc1=O 77505661 SRPGIJNPRWRFKH-CYBMUJFWSA-N 379.424 0.822 0 50 GCAA Cc1cc(N(C)C)nc(NC(=O)NCCN2CCN(c3ncccn3)CC2)n1 225737248 PCRIQEGBVDWLFW-UHFFFAOYSA-N 385.476 0.585 0 50 GCAA Cc1nc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)no1 287487959 QWVZERHLBCOQOJ-RKDXNWHRSA-N 385.368 0.342 0 50 GCAA O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)N1CCN2CCC1CC2 367055779 SQMPHGUPYRHHBP-OAHLLOKOSA-N 384.488 0.830 0 50 GCAA COc1ccc(CNC(=O)C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)cc1 1506399966 GIZPVKMCBGCZJC-UHFFFAOYSA-N 388.424 0.102 0 50 GCAA Nc1ccc(C(=O)N2C[C@@H]3CN(C(=O)CCc4cccnc4)C[C@]3(CO)C2)cn1 1772705668 OVVGAGHOJMIAMI-LAUBAEHRSA-N 395.463 0.585 0 50 GCAA Cc1nn(CCO)cc1CN1C[C@H]2CN(c3ccncc3F)C[C@]2(CO)C1 1772804278 KUTSJFCPGGRABH-LPHOPBHVSA-N 375.448 0.649 0 50 GCAA O=C(c1ccc2c(c1)OCCO2)N1CCCN(S(=O)(=O)N2CCCC2)CC1 1772806725 JNCQIWUWJCSBOU-UHFFFAOYSA-N 395.481 0.946 0 50 GCAA CN1CCCN(CC(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)CC1 1857715083 AJGLFBFVDVTSJT-JQVVWYNYSA-N 398.507 0.925 0 50 GCAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCCc3nnc(C)s3)C[C@H]2O)no1 1875246253 CQYDKDMXTCAQOP-DMDPSCGWSA-N 379.442 0.371 0 50 GCAA CNC(=O)C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H]1O 1875400519 CGLOBCRTVRLRFN-QZTJIDSGSA-N 389.500 0.432 0 50 GCAA O=C(NCc1cccc2ncnn12)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356142323 NMIFNGCAGBCWDQ-MOPGFXCFSA-N 392.419 0.872 0 50 GCAA O=C(CCc1nc(O)n[nH]1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 2356158456 KXXHULCRIFBZRC-CMPLNLGQSA-N 376.442 0.549 0 50 GCAA CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCCOC)cc1 19820927 IOSPKQPMGXAJMR-HZPDHXFCSA-N 375.512 0.814 0 50 GCAA Cn1c(CCC(=O)NCCCO)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77297920 DHJOSYIOXQRADJ-UHFFFAOYSA-N 394.497 0.789 0 50 GCAA CC(C)Nc1ccnc(N2CCCn3nc(CNS(C)(=O)=O)cc3C2)n1 82120351 FNJUMNDKJCKKAD-UHFFFAOYSA-N 379.490 0.953 0 50 GCAA COc1ccc(OC[C@@H](O)CN(C)C)c(CN2CCN(C(=O)N(C)C)CC2)c1 95526165 KGUHMQDAMUPEBM-KRWDZBQOSA-N 394.516 0.796 0 50 GCAA CC1(CO)CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)CC1 215911312 VPCSRJMPBQBEAG-OAHLLOKOSA-N 381.498 0.561 0 50 GCAA Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN[C@@H](C)C3)CC2)c1 237740568 OCKDAPJFQWEXGB-INIZCTEOSA-N 380.514 0.267 0 50 GCAA Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)no1 239121045 JEUORNJKTKDCSP-MTRMMICZSA-N 399.403 0.906 0 50 GCAA CN(CC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)Cc1ccncc1 299769836 RLOKNFKTXQBPIT-DMUMMCEESA-N 375.469 0.528 0 50 GCAA C[C@H](CCN1CC[C@@H](C)S(=O)(=O)CC1)N1CC[C@@H](C)S(=O)(=O)CC1 330274160 JRBTYORVPKDQLZ-BZUAXINKSA-N 380.576 0.783 0 50 GCAA NC(=O)c1cc(OC2CCN(c3cc(-n4cccn4)nc(N)n3)CC2)ccn1 371431601 GRUIXILJGRQCLD-UHFFFAOYSA-N 380.412 0.786 0 50 GCAA COc1c(F)ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1F 1704337628 AHCPCBIRAJJYKY-CABZTGNLSA-N 378.397 0.610 0 50 GCAA Cc1cccc(CN2CCN(C(=O)Cn3nnnc3CN3CCCC3)CC2)c1 11816042 NQTWEOASGBYZFN-UHFFFAOYSA-N 383.500 0.922 0 50 GCAA CC(C)C[C@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3F)CCN2C1=O 14746119 MJDFQFVDWZKZEX-ZIAGYGMSSA-N 383.445 0.572 0 50 GCAA COC(=O)[C@]1(c2ccccc2)N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65409334 NDGZGHAGMJVNOT-UIVXKWKOSA-N 382.420 0.545 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cnc(C)cn3)CC2)C1 71748781 OCMJAXXVJIEAAE-MRXNPFEDSA-N 389.500 0.864 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCCOCC1)CO2 71764943 FYWYOUNZZXNPCD-MRXNPFEDSA-N 391.468 0.899 0 50 GCAA CCOc1ccc(CN2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]2CCO)cc1 72440223 XDEFDVUFXFAIFC-INIZCTEOSA-N 375.469 0.746 0 50 GCAA O=C1CN(CC(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C(=O)N1 91657197 HSLCTTAGXOSOPW-UHFFFAOYSA-N 382.424 0.584 0 50 GCAA O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 96153778 KSPLAOOZWYYJLZ-CVEARBPZSA-N 389.452 0.159 0 50 GCAA O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 177680389 JXRBCJHBYWGZHZ-KRWDZBQOSA-N 383.452 0.911 0 50 GCAA CN(Cc1nc(CS(C)(=O)=O)no1)[C@@H]1CCN(Cc2ccccc2)C1=O 191745967 QUMYODUFTLWBCW-CQSZACIVSA-N 378.454 0.847 0 50 GCAA CO[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccncn3)c2)C1 215134277 KSHWXSQGOYZORJ-OAHLLOKOSA-N 376.438 0.816 0 50 GCAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(CC(=O)N1CCNCC1)C2 221947482 IIEHYEADIASQSL-CVEARBPZSA-N 375.473 0.146 0 50 GCAA CN(CC(=O)NC1CC1)S(=O)(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 253427497 FTBUJINGRSERDT-MRXNPFEDSA-N 395.481 0.938 0 50 GCAA O=C(CCn1ccc(O)nc1=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 253535132 DGTAGFOIXWWHGZ-ZRGWGRIASA-N 385.420 0.902 0 50 GCAA COCCN1C(=O)C[C@@](CC(=O)N(C)CC(=O)OC)(c2ccccc2F)C1=O 299759693 MQSBKQOTMRTFPL-IBGZPJMESA-N 394.399 0.490 0 50 GCAA COCCN1C(=O)C[C@@H](CNCc2ccnc(N(C)C)n2)[C@@H]1c1cnn(C)c1 328633084 SKHQZKYTLPRSMY-KBXCAEBGSA-N 387.488 0.602 0 50 GCAA CS(=O)(=O)C1(CNC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)CCCC1 333458201 YRKIFVKCKMEWFS-AWEZNQCLSA-N 392.543 0.953 0 50 GCAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2OC(F)(F)F)CC(=O)N1 414334851 NURXZSBXJXCVRY-ZETCQYMHSA-N 382.316 0.792 0 50 GCAA O=C(NCc1nc(O)c2ccccc2n1)N1CCN(CCn2cncn2)CC1 426470812 MAMJHOCFJPEGRX-UHFFFAOYSA-N 382.428 0.454 0 50 GCAA Cc1nnc(SCC(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)o1 426479809 UIHWNOWFFHAQGP-ZIAGYGMSSA-N 376.438 0.862 0 50 GCAA NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)NCC1(N2CCOCC2)CCCC1 426489822 YBAUGEIPRQNGON-KRWDZBQOSA-N 390.484 0.733 0 50 GCAA O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)N1Cc2ccccc2[C@@H](O)C1 1506404997 TZDCMYDNYWNEBP-INIZCTEOSA-N 379.420 0.915 0 50 GCAA CCCC[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C(C)C)O1 1529119381 GCYOWHPCKSAZBF-ZIAGYGMSSA-N 387.502 0.688 0 50 GCAA Cc1c(O)cccc1C(=O)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565510735 QFJJGSACEFIBSV-CABCVRRESA-N 388.449 0.619 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772812295 KOMXDRKYGYGHRJ-HIFRSBDPSA-N 390.465 0.980 0 50 GCAA CN(C)C(=O)c1ccc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)nn1 1857668423 KSHXGJMNRONILS-UHFFFAOYSA-N 382.490 0.031 0 50 GCAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)Cn3ccccc3=O)C1)CC2 1857699843 ABEJUMIEDODWJG-HXUWFJFHSA-N 383.452 0.917 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N(C)CCc3ncon3)CC2=O)s1 1857710357 SLWVHYVSESINIC-SNVBAGLBSA-N 380.430 0.512 0 50 GCAA CCn1cnc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)c1 2356169531 SWILKHHQVBEEDJ-MSOLQXFVSA-N 388.424 0.793 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO)cc1C 12458673 HBKNNHWQODLADU-MRXNPFEDSA-N 377.485 0.829 0 50 GCAA COc1cccc(CNCC2(C)COC2)c1OC[C@@H](O)CN1CCOCC1 12718184 WNGRIQAJGCLQLN-KRWDZBQOSA-N 380.485 0.893 0 50 GCAA Cc1ccc(CN2CCc3c(c(C(=O)NCCN4CCOCC4)nn3C)C2)o1 19840117 RPQRCLVTKXPLCO-UHFFFAOYSA-N 387.484 0.942 0 50 GCAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 55252500 GMVRTJGLIKUUEQ-QGZVFWFLSA-N 388.468 0.584 0 50 GCAA COc1cccc(-n2cc(CN(C)C(=O)c3c[nH]nc3-n3cnnn3)cn2)c1 72423308 JWGWIDOGWYOLNV-UHFFFAOYSA-N 379.384 0.852 0 50 GCAA NC(=O)NCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91691019 PQZKGARJVSLALA-UHFFFAOYSA-N 380.395 0.974 0 50 GCAA Cc1cnc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)cn1 95389116 GZIYXTMHUBYEOW-CQSZACIVSA-N 376.438 0.782 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CCOC[C@H](CO)C2)nc1N1CCOCC1 96153599 RNIGKBKMJIPQKD-ZDUSSCGKSA-N 380.445 0.121 0 50 GCAA CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCO 148507901 BHPCFQUBUVPQGG-UHFFFAOYSA-N 396.477 0.420 0 50 GCAA in-vitro Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)C2=O)n1 271133835 STFNBHABMVODER-CVEARBPZSA-N 389.431 0.957 0 50 GCAA CS(=O)(=O)N1CCc2c(ncn(CC(=O)N3CCc4ccccc43)c2=O)C1 328604850 LLKLDVRYZCYVKB-UHFFFAOYSA-N 388.449 0.150 0 50 GCAA C[C@H](NC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1)[C@@H](C)N1CCOCC1 429405438 NQIWHMMRZSVDDD-NWDGAFQWSA-N 390.444 0.608 0 50 GCAA COc1ccc(-c2noc([C@H](C)NC(=O)N3CCNC(=O)C3)n2)cc1OC 534637833 PEYCJPYBWLGLRC-JTQLQIEISA-N 375.385 0.956 0 50 GCAA Cc1c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cccc1-c1nncn1C 952989543 NOXMMMSSQGCBDI-CYBMUJFWSA-N 377.470 0.848 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc(-c3cn[nH]c3)c2)C[C@@H]1O 1529109565 FVGKKQQATZOZRN-HOTGVXAUSA-N 378.454 0.401 0 50 GCAA O=C(c1ccccc1-c1nn[nH]n1)N1CCCN(C(=O)C2CCOCC2)CC1 1529172950 JWAVCLGHVKDUNV-UHFFFAOYSA-N 384.440 0.968 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)n1 1565515262 KAMAYUKUZUUQPQ-JSGCOSHPSA-N 395.437 0.606 0 50 GCAA Cc1nc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(=N)[nH]c4)CCO3)C2)o1 1857686691 CJLLMKYSNFWIJI-IBGZPJMESA-N 385.424 0.856 0 50 GCAA Cc1cc(CC(=O)N2CCc3nc(C(=O)N4CCC[C@H](O)C4)cn3CC2)on1 1875244828 WNBVCLCAFGKYDR-AWEZNQCLSA-N 387.440 0.404 0 50 GCAA Cn1nncc1C(=O)N=S1(=O)CCC2(CC1)CN(c1ncns1)CCO2 2325784881 QIYUPNICFWZQOM-UHFFFAOYSA-N 397.486 0.344 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NCC[C@@H]4CCCNC4)ccc3C2=O)C(=O)N1 2325896420 YFDCYDWCPHYTPV-GUYCJALGSA-N 398.463 0.567 0 50 GCAA CC(=O)O[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4800383 XSWHBVWGSAGKTQ-ZTYXSZCMSA-N 388.369 0.247 0 50 GCAA COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1 15987793 LZEYTWKMMKWWKU-UHFFFAOYSA-N 377.422 0.898 0 50 GCAA COc1cccc2c1ccn2CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 61722100 FQMAILBKUQWIDP-OAHLLOKOSA-N 391.493 0.981 0 50 GCAA CCOc1ccc(NC(=O)CC(=O)N2CCO[C@]3(CNCCOC3)C2)cc1 72143896 QHDWEWIQEZTBBT-LJQANCHMSA-N 377.441 0.631 0 50 GCAA Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)cc1O 91535950 CAGJSBWAOGMTAM-UHFFFAOYSA-N 378.454 0.992 0 50 GCAA COCCN1CCN(Cc2noc(C3CCCC3)n2)[C@H]2CS(=O)(=O)C[C@H]21 92046935 UBYVOOPVFGUUGW-CABCVRRESA-N 384.502 0.657 0 50 GCAA O=C1N=c2ccc(Br)cc2=C1NNC(=S)Nc1ccc(O)cc1 100548041 IKWHVSAZSKKVGQ-UHFFFAOYSA-N 391.250 0.914 0 50 GCAA COc1ccc(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cc1-n1cnnn1 120170523 DPDMJXBZOJBDSW-QGZVFWFLSA-N 399.499 0.913 0 50 GCAA C[C@H]1CN(c2nc3c(c(N4CC(=O)N(C)[C@@H](C)C4)n2)SCC3)CC(=O)N1C 286519114 RLRGRKSPAVIJBC-RYUDHWBXSA-N 390.513 0.459 0 50 GCAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(CC(=O)N2CCN(C)CC2)CC1 328635845 NRJNOOWNNIHLQH-LJQANCHMSA-N 388.516 0.454 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C(F)(F)F 462456009 FKNGYVHVVGMTRP-NXEZZACHSA-N 397.423 0.927 0 50 GCAA COCC(=O)N1CC[C@H](NC2CCN(c3cccc(OC)c3)CC2)[C@@H](O)C1 1565516576 WYSXPEFATGNANI-OALUTQOASA-N 377.485 0.862 0 50 GCAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@@]2(CO)C1 1772812408 IFRGEQTWAAPKNO-YOEHRIQHSA-N 385.461 0.717 0 50 GCAA COc1cc(F)c(CN2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c(F)c1 1857685589 YYTRXVAZEJAKFD-GOSISDBHSA-N 398.410 0.445 0 50 GCAA CC(C)CCN1CC2(CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)OCCC1=O 1857710482 ZGCFGBGHJKXDLX-KRWDZBQOSA-N 381.517 0.973 0 50 GCAA COCc1nnc(N2C[C@H](C(=O)NCCc3noc(C(C)C)n3)CC2=O)s1 1857737594 UEWBEFFNGMWPFA-SNVBAGLBSA-N 394.457 0.903 0 50 GCAA O=C(NC[C@H](F)C1CCNCC1)C1CCN(c2ccc3nncn3n2)CC1 2325789166 ADPJHFYXIOBTKX-HNNXBMFYSA-N 375.452 0.795 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)NCC[C@H]4CCCNC4)ccc3C2=O)C(=O)N1 2325896418 YFDCYDWCPHYTPV-CXAGYDPISA-N 398.463 0.567 0 50 GCAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)CC2 2356169246 NOLFMORANLTFKV-WBVHZDCISA-N 384.392 0.337 0 50 GCAA CCCCNC(=O)N1CCO[C@@H]2CC[C@H](C(=O)NCCn3cncn3)C[C@H]21 2356170234 LMDAYZVLQXPFIS-ARFHVFGLSA-N 378.477 0.774 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnn(C)c2)c(F)c1 14963573 ORXKMQSTEGNYAO-KRWDZBQOSA-N 389.431 0.575 0 50 GCAA CCN1CCN(C[C@@H](O)COc2ccc(CN(C)CCO)cc2OC)CC1 20598239 JTPNQGCZRIBFDE-GOSISDBHSA-N 381.517 0.497 0 50 GCAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CCN(S(=O)(=O)CC)CC1)C2 67788372 BOUNVBRNNDPNDS-ZDUSSCGKSA-N 384.502 0.816 0 50 GCAA O=C(Cn1cccn1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71751012 TZKKYRYCBBXRCW-QGZVFWFLSA-N 389.500 0.445 0 50 GCAA COc1ccc(C(=O)N2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 72463122 WQKFQOJJVGJVAD-SJORKVTESA-N 392.477 0.864 0 50 GCAA O=C(CN1CCN(C(=O)NCc2nc(C3CC3)no2)CC1)N1CCCCC1 80090138 KJOPVNHRVLPHSH-UHFFFAOYSA-N 376.461 0.787 0 50 GCAA CC(C)OCC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 91325254 YYVRTIPEEKYWLB-UHFFFAOYSA-N 378.521 0.694 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnc(OC)c2)CN1C1CCOCC1 96179886 BACKTRZXQPBGOC-HOCLYGCPSA-N 376.457 0.578 0 50 GCAA CN(C)Cc1ccc(N2CCN(C(=O)Cc3nc4ncccn4n3)CC2)nc1 172223805 DQRJRSMULLSOHQ-UHFFFAOYSA-N 380.456 0.472 0 50 GCAA Cc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)C(=O)NCCCN2C 214980877 COQWDXXTJOFLPN-INIZCTEOSA-N 375.469 0.548 0 50 GCAA O=C(CCn1cnnn1)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 221991852 DJUCYISXRZMFCY-CVEARBPZSA-N 386.460 0.190 0 50 GCAA NC(=O)Cn1cc(C[C@@H]2NC(=O)N(Cc3cc(Cl)ccc3Cl)C2=O)nn1 275209387 ARFHYDSLNQUVEP-LBPRGKRZSA-N 397.222 0.733 0 50 GCAA Cn1cc(CN(Cc2nc(C(C)(C)C)no2)[C@H]2CCNC2)c(=O)n(C)c1=O 328604154 IQGALRUNPWEQGA-ZDUSSCGKSA-N 376.461 0.129 0 50 GCAA CCn1c([C@H]2OCC[C@H]2C)nn([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1=O 328647683 UFDNSRJFYRJJQT-IPYPFGDCSA-N 379.461 0.414 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)N(C)C)C2)cc1CC(=O)O 414337835 LCYGOWQJQITAPS-ZDUSSCGKSA-N 399.469 0.747 0 50 GCAA COC[C@H](NC(=O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)c1ccccn1 1506395220 DTHDEGDHDFSQNM-HNNXBMFYSA-N 382.424 0.738 0 50 GCAA COc1c(C(=O)O)cc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c(OC)c1OC 1875244646 XNYGGAJHECKKAN-UHFFFAOYSA-N 390.352 0.351 0 50 GCAA COc1nscc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCCC2)C1 1875394120 WLFHUJUYQASMBG-IAQYHMDHSA-N 387.483 0.411 0 50 GCAA O=C1CC[C@H](N2Cc3c(OCC(=O)Nc4cn[nH]c4)cccc3C2=O)C(=O)N1 2325897388 VSHCLRPWQGCWLH-ZDUSSCGKSA-N 383.364 0.188 0 50 GCAA O=C1CCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)CCN1 19228341 FVPOZRURBGAVSP-UHFFFAOYSA-N 397.479 0.955 0 50 GCAA COCC(=O)N1CCN(C(=O)CCc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77437353 JSZPHFIEGAVBSB-JKSUJKDBSA-N 398.456 0.241 0 50 GCAA COc1ccc(N2CCN(C(=O)c3c[nH]nc3-n3cnnn3)[C@@H](C)C2=O)cc1 77556231 ZUMBPLYDCVKVCE-NSHDSACASA-N 382.384 0.272 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1COCCN1)CC2 91691687 NPSJBXHFPUQWJZ-AWEZNQCLSA-N 375.473 0.401 0 50 GCAA Cc1csc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)n1 95366753 DXQPNXVENRBMLU-HUUCEWRRSA-N 384.571 0.858 0 50 GCAA CNc1nc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)ncc1F 95381402 LSTWVQIDHOZAGI-HIFRSBDPSA-N 380.468 0.965 0 50 GCAA O=C1CN(CC(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)C(=O)N1 95496494 UIYRWFQZBOEDOB-UHFFFAOYSA-N 393.403 0.770 0 50 GCAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@H]2CCN(C)C2=O)CC1 95528903 OJBVZIJVZSNMOS-INIZCTEOSA-N 389.452 0.663 0 50 GCAA CC(C)CCC(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 216974207 IDBMOUUGACNMHI-CVEARBPZSA-N 379.482 0.968 0 50 GCAA CCCN1C(=O)N[C@@H](CC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)C1=O 1529186294 BKKWFYNEHPGORD-HNNXBMFYSA-N 394.472 0.194 0 50 GCAA O=C(NCc1nc(-c2ccccc2)no1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1565527088 YENHFHCDCAZBEK-OLZOCXBDSA-N 377.426 0.017 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC(=O)c1ccc(F)cc1 1704333469 AJDFKBLCPWIDQT-DZGCQCFKSA-N 386.445 0.811 0 50 GCAA COCCC(=O)N1C[C@@H]2CN(Cc3nc(-c4ccco4)no3)C[C@@]2(CO)C1 1772700617 HDYNSOMHGACNBE-UGSOOPFHSA-N 376.413 0.619 0 50 GCAA COc1cccc(OCCN2CCN(C(=O)c3cnc(C(N)=O)cn3)CC2)c1 1772708432 CYMATVDLJSZDQZ-UHFFFAOYSA-N 385.424 0.421 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCO)C1)c1ccc2c(c1)OCCO2 1875245667 KRCXAFVJYACLKI-YWZLYKJASA-N 389.452 0.293 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCn2ccnn2)CC[C@H]1O)c1c[nH]c2ccccc12 1875249193 KWQMAIIEMYNLCH-MORSLUCNSA-N 396.451 0.835 0 50 GCAA C[C@H]1C[C@H]2CN(C(=O)C3CCN(c4cccc(C(N)=O)n4)CC3)CCN2C1=O 1875308231 VCRSHNUDANLJDH-ZFWWWQNUSA-N 385.468 0.476 0 50 GCAA O=C(N1CCOCC1)N1CCC[C@H](n2nncc2I)C1 1875340011 IEVPKMVLENKPBD-JTQLQIEISA-N 391.213 0.972 0 50 GCAA CC(=O)N=S1(=O)CCC2(CC1)CN(c1nc(C(F)F)nc(=N)[nH]1)CCO2 2325785014 ZGHFFHCSTGUCSX-UHFFFAOYSA-N 390.416 0.605 0 50 GCAA COc1nscc1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2NC(=O)C[C@H]2C)CC1 2325823860 GIKABDOUUVBOMS-ZHSDAYTOSA-N 380.470 0.834 0 50 GCAA CC(=O)N1CCN(c2ncccc2CNC(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 67784444 SWDKOHAVSNJOPH-UHFFFAOYSA-N 398.467 0.309 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ncc[nH]1)CO2 71416082 ZCKRIOGYGJCYSV-CQSZACIVSA-N 387.440 0.690 0 50 GCAA CCC(=O)N1CCN(C(=O)c2cn3ccsc3n2)[C@H]2CS(=O)(=O)C[C@H]21 77287672 VQMPELHNOPOSCT-NEPJUHHUSA-N 382.467 0.256 0 50 GCAA O=C(CCc1n[nH]c2c1CCCC2)N1CCOC[C@](O)(CN2CCCC2)C1 77375831 KLBXGPLGDMPKRY-FQEVSTJZSA-N 376.501 0.907 0 50 GCAA COc1coc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)cc1=O 77504813 PUXMLFHRKLFVLN-UHFFFAOYSA-N 379.413 0.637 0 50 GCAA CCc1nnc(CNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)o1 95527543 JWAHGICRSBEUFZ-UHFFFAOYSA-N 382.428 0.493 0 50 GCAA O=C(NCCn1ccnc1)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 97594700 NOHUTFMZLPQQFN-HNNXBMFYSA-N 378.454 0.459 0 50 GCAA CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 192738299 BAEQUVXBZANVES-SFHVURJKSA-N 386.496 0.960 0 50 GCAA CCc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@@H](N)C3)c2)no1 215704789 TXHBOSXRRWVYHB-GFCCVEGCSA-N 379.442 0.284 0 50 GCAA CCn1nc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1C 248017486 QMBBVNRDJWQAHN-CABCVRRESA-N 375.473 0.671 0 50 GCAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NC1CCN(Cc2ccccc2)CC1 266221397 JBMBPKIAPLPSNY-LFGUQSLTSA-N 397.475 0.930 0 50 GCAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)c(Br)c2)CC(=O)N1 414337441 QGYNWJOQFRYRTP-SSDOTTSWSA-N 377.216 0.656 0 50 GCAA COc1ccc(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cn1 670447573 MVZRJOSYINHZHK-UHFFFAOYSA-N 382.486 0.969 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cn3ccc(O)nc3=O)C1)CC2 1704341680 ZAALSPPIFIDTPK-LJQANCHMSA-N 384.440 0.312 0 50 GCAA Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cn1 1857689993 RHGSJHTUJGEPDZ-QWHCGFSZSA-N 392.437 0.778 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cccc(-n4cnnc4)c3)C[C@H]2CO1 1857706541 KNWMSUDBXFJXQK-NJAFHUGGSA-N 398.467 0.317 0 50 GCAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1CC(=O)N(c3nccs3)C1)CC2 1857738242 YLDISXTURDKFAW-SECBINFHSA-N 375.410 0.591 0 50 GCAA CN(C)C(=O)CCNC(=O)NCc1ccccc1N1CCC[C@H](C(N)=O)C1 1875255105 UOCNFCBFJCJBGV-HNNXBMFYSA-N 375.473 0.666 0 50 GCAA CC(=O)N(CCc1ccccc1)CC(=O)N1CCc2c(cnn2C)[C@@H]1C(N)=O 1875288832 GAELPKQPENTONB-LJQANCHMSA-N 383.452 0.422 0 50 GCAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1875395843 NKUFPPANABNZCW-INIZCTEOSA-N 392.485 0.206 0 50 GCAA COC(=O)CNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)CCOc2ccccc2)C1 2100483601 HKLLSLMQIJERAR-NUEKZKHPSA-N 378.425 0.391 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@H](C(=O)O)C4)ccc3C2=O)C(=O)N1 2325896130 RSXZPLLQWCIUFQ-SWLSCSKDSA-N 399.403 0.384 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2cn[nH]c2)c1 12467543 VYEQNNVCLZRWSV-SFHVURJKSA-N 385.468 0.810 0 50 GCAA CCn1c(C2CCN(C(=O)c3cccc(-n4nnnc4C)c3)CC2)n[nH]c1=O 67833511 CPSKBAPMFKLDOL-UHFFFAOYSA-N 382.428 0.895 0 50 GCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1=O 77506104 QGRDPYBRUKQSBZ-ZDUSSCGKSA-N 379.424 0.822 0 50 GCAA CCOC(=O)N1CCC(NC(=O)c2cnc(Cn3cncn3)nc2O)CC1 92038183 SNSSBUPJOKEZID-UHFFFAOYSA-N 375.389 0.173 0 50 GCAA COc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)c1OC 95356197 NVWVGUXGGRMALU-HUUCEWRRSA-N 378.469 0.841 0 50 GCAA O=C(CN1CC2(CCNCC2)OC1=O)N1CCCO[C@@H](Cn2cccn2)C1 95519177 BMAVOXLFJKJVBC-OAHLLOKOSA-N 377.445 0.075 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)N2CCCN(C(=O)COC)CC2)c1 97137581 QMGAEWGNLITNRS-UHFFFAOYSA-N 384.458 0.307 0 50 GCAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CCO2)cn1 275215204 BKBYERKCQNNNMS-KRWDZBQOSA-N 390.465 0.951 0 50 GCAA Cn1cc(S(=O)(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)n(C)c1=O 607363034 QXMWTXPLNCTDRO-CQSZACIVSA-N 389.437 0.000 0 50 GCAA C[C@@H]1OCC[C@]1(O)Cn1cnc2c(N(C)C[C@@H]3CCS(=O)(=O)C3)ncnc21 952961739 RGMDBOUTCJLNGW-DCGLDWPTSA-N 395.485 0.237 0 50 GCAA O=C(Cc1cccnc1)N[C@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@@H]1O 1857705029 PAVHIJNKGCGKFS-BZSNNMDCSA-N 385.468 0.673 0 50 GCAA Cc1n[nH]cc1-c1nc(-c2cc3n(n2)CCN(C)C3=O)n(-c2cnn(C)c2)n1 1857708250 XYGVVJOCJLBUGE-UHFFFAOYSA-N 378.400 0.648 0 50 GCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857724001 HDEYSMKANGVIQT-QLFBSQMISA-N 392.843 0.522 0 50 GCAA CC(C)[C@H](NC(=O)C(F)(F)c1ccc(=O)n(C)c1)C(=O)N1CCC[C@@H](N)C1 1875305939 NIOUGTXXSQEYED-HIFRSBDPSA-N 384.427 0.568 0 50 GCAA NC(=O)c1ccnc(C(=O)N2CC[C@@H]2CNC(=O)C2(c3ccccn3)CC2)c1 1875307363 BWUSKZCDNJLRSX-CQSZACIVSA-N 379.420 0.638 0 50 GCAA NC(=O)c1cnc(NC[C@]2(CO)COC[C@H]3CCCN32)c(Br)c1 1875326624 QSKLLGDLQGDCPX-ABAIWWIYSA-N 385.262 0.581 0 50 GCAA COC(=O)[C@]1(C)CCCN1C(=O)CC(C)(C)n1cc(CNC(=O)N(C)C)nn1 1875357421 GTGWHYGOWBKJBG-SFHVURJKSA-N 394.476 0.729 0 50 GCAA CN1C[C@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)CC(C)(C)O)C2 1875395624 GZSLBSGBEZWDOQ-OAHLLOKOSA-N 389.500 0.332 0 50 GCAA Cn1nnc([C@H]2CN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)CCO2)n1 2100544851 LXHJGFFHEJXNNO-CQSZACIVSA-N 393.411 0.472 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)NCCS(=O)(=O)N(C)C)[C@H]1c1ccccc1 2356166477 ZERNKYRDFLORHJ-SJORKVTESA-N 397.497 0.371 0 50 GCAA CCOC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1395376 MIZPAOKAXHOLND-ZDUSSCGKSA-N 377.440 0.570 0 50 GCAA COCCN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)CC1 11842322 DDUFVPGPQVGDGJ-MRXNPFEDSA-N 380.514 0.229 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1 19638006 RXTJMJYHTFVSAX-MRXNPFEDSA-N 388.476 0.173 0 50 GCAA CC(C)Cn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)C[C@H]1CCCO1 64609590 VGCWIVYUOLEXOJ-OAHLLOKOSA-N 384.502 0.424 0 50 GCAA COC(=O)[C@@H]1N[C@H](c2c(C)nn(-c3ccccc3)c2C)[C@@H]2C(=O)N(C)C(=O)[C@H]12 67723481 XDRYCHODILWYSC-YYIAUSFCSA-N 382.420 0.906 0 50 GCAA CC(C)CC(=O)C(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72418159 NCEAUIWVXOTDKJ-CVEARBPZSA-N 379.482 0.507 0 50 GCAA CC(C)CCC(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72475558 IDBMOUUGACNMHI-JKSUJKDBSA-N 379.482 0.968 0 50 GCAA C[C@@H](CO)NC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 95511946 INCFUOHHAXCXAL-ZDUSSCGKSA-N 385.486 0.447 0 50 GCAA COc1ccc([C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]2C[C@@H](O)C2)cn1 244601881 DTLPZZRYPLZCDM-TYNCELHUSA-N 376.413 0.349 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3nnc(-c4ccco4)o3)C[C@H]2C1 247562827 ZKLOHMDMVNFRLN-LRDDRELGSA-N 382.442 0.548 0 50 GCAA Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCn4c(O)nnc4C3)cc12 333451312 NQWQPBWJLJODDS-SECBINFHSA-N 389.441 0.401 0 50 GCAA CN(C[C@H](O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1)C1CC1 952894270 YJOBGRMAYZWECF-SFHVURJKSA-N 375.517 0.948 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]1c1ccccc1 1529150694 ABLOKMVNCJHHQT-SJORKVTESA-N 380.466 0.621 0 50 GCAA CC(C)[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]1NS(=O)(=O)N(C)C 1565507846 MBDFFLHPYJYTPF-CVEARBPZSA-N 389.543 0.869 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(Cc2coc3ccccc3c2=O)C[C@@H]1O 1565530006 MOPMELVTCDZKNS-GJZGRUSLSA-N 381.454 0.124 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccccc1Cl 1704339878 PJZPOKCNSYUMQK-GXTWGEPZSA-N 396.918 0.666 0 50 GCAA Cc1cc(CN2C[C@H]3CN(C(=O)c4ccc(C)n(C)c4=O)C[C@@]3(CO)C2)on1 1772810633 NLGVDJYWZJKKGH-MGPUTAFESA-N 386.452 0.557 0 50 GCAA CCN1C(=O)C[C@@H](C(=O)N2CCNS(=O)(=O)CC2)[C@@H]1c1cccc(C)c1 1875299746 URMHXQVVOFZIEI-WBVHZDCISA-N 379.482 0.666 0 50 GCAA Cn1cc(C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)c(O)nc1=O 1940193615 OGHZPIMNOGRZFT-UHFFFAOYSA-N 397.435 0.979 0 50 GCAA Cc1cc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)[C@]23CN(CC(=O)O)C[C@@H]3O)nn1C 2356160552 XSXBFVBVDCTJLU-UKHYVGRKSA-N 398.463 0.619 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCOCC2)c1OC 12225514 ZTXZEGMOXJQNHA-INIZCTEOSA-N 391.468 0.690 0 50 GCAA Cn1ncc(N2CCO[C@@H](CCNC(=O)CN3CCCCCC3)C2)cc1=O 23505478 WMANEPFZCRTADW-KRWDZBQOSA-N 377.489 0.368 0 50 GCAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN 77271137 ASGHPQVHGBCLDZ-UHFFFAOYSA-N 380.482 0.553 0 50 GCAA in-vitro CCCN1CCN(C(=O)CN(C)Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 77422050 DYPBGEOLSQKGBS-SJORKVTESA-N 380.514 0.233 0 50 GCAA O=C(O)CC[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CC[C@@H]1N1CCOCC1 91616578 IZMIRZICZFNXPN-PBHICJAKSA-N 387.440 0.986 0 50 GCAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218151440 VWBJKTMONVVFTH-RYUDHWBXSA-N 381.458 0.192 0 50 GCAA COC[C@@H]1CN(c2nc3c(c(N4CCO[C@@H](COC)C4)n2)SCC3)CCO1 252548594 QFCOQSFWDPHVBQ-KGLIPLIRSA-N 396.513 0.828 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1=O 328611410 LIZOEUAOBXBLFC-MJBXVCDLSA-N 385.490 0.342 0 50 GCAA O=C1CC2(CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)CN1 376832730 FSKRTRKSQRJXCY-LBPRGKRZSA-N 378.395 0.561 0 50 GCAA CCCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 670440420 OUKZYDOOMPBZBP-UHFFFAOYSA-N 379.442 0.912 0 50 GCAA Cc1c(S(=O)(=O)NC23C[C@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)cnn1C 825656222 HZXBNMBHOFALLH-YPXDRJKUSA-N 377.474 0.741 0 50 GCAA O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 888101572 JPSZLXQGJTZMFP-CYBMUJFWSA-N 390.469 0.028 0 50 GCAA NCc1ccc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 892226085 VRFNPYJUXDVQBI-GOSISDBHSA-N 393.507 0.880 0 50 GCAA CS(=O)(=O)N1CC(CNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 1321477100 HIFIPRJCZFBOKR-HNNXBMFYSA-N 394.497 0.010 0 50 GCAA Cc1c(CN2CCN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)cnn1C 1565508246 XAGFREBWTNKGFC-ZWKOTPCHSA-N 375.498 0.607 0 50 GCAA Cc1noc(CN2CC3(CCN(c4ncnc5[nH]cnc45)CC3)OCCC2=O)n1 1704304695 NHWBJDCYQQXMOW-UHFFFAOYSA-N 398.427 0.832 0 50 GCAA C[C@H]1[C@H](NC(=O)c2cnc3c(c2)nnn3C)CCCN1C(=O)C1=COCCO1 1775989849 SUWHGKHPUNNDAH-WCQYABFASA-N 386.412 0.361 0 50 GCAA CN1CCn2nc(C(=O)N(Cc3ccccn3)C[C@@H]3CCC(=O)N3)cc2C1=O 1857672808 IRDBDUIVEKYRDS-AWEZNQCLSA-N 382.424 0.285 0 50 GCAA O=C(Cn1cccn1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857690743 QZIULKQQHMBYMT-FQEVSTJZSA-N 398.467 0.722 0 50 GCAA COC1CCN(C(=O)[C@@]23CCCN(C(=O)c4cc[nH]n4)[C@H]2CN(C)CC3)CC1 1857694371 NKQMXBBJAUEFKI-FXAWDEMLSA-N 389.500 0.974 0 50 GCAA O=C(CCO)N1CCC([C@H](O)CN2CCc3[nH]nc(C4CC4)c3CC2)CC1 1857716289 FZRBSANAVSICHC-GOSISDBHSA-N 376.501 0.670 0 50 GCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857721992 BMIAUEZCPHHCAF-UHFFFAOYSA-N 378.458 0.603 0 50 GCAA CNC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857725185 LYTURILRYCETFS-CYBMUJFWSA-N 387.465 0.686 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 842538 AMFLKSJYEXMNNM-HNNXBMFYSA-N 391.424 0.937 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 20493544 IBTCRMAUIWNICB-SFHVURJKSA-N 394.541 0.849 0 50 GCAA CN1C[C@@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)c2sccc2S1(=O)=O 91645968 DEYZTDYVTPIDPX-SNVBAGLBSA-N 380.451 0.814 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1C1CCN(C)CC1 96137050 GZWLANWIIHCEIG-PBHICJAKSA-N 377.489 0.810 0 50 GCAA O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CC(=O)N(c2cccc(O)c2)C1 97474984 CBZFMVPXYMAXDZ-ZDUSSCGKSA-N 381.454 0.287 0 50 GCAA Cn1nnc(-c2cccc(NC(=O)NC3CCN(S(C)(=O)=O)CC3)c2)n1 97732853 LREBUYNDEDEDPK-UHFFFAOYSA-N 379.446 0.423 0 50 GCAA CN[C@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 133575423 URILYZLUAUBZFT-VIFPVBQESA-N 383.250 0.103 0 50 GCAA O=C(O)[C@H]1[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H]2C=C[C@H]1O2 239165177 NQCSGJKNBZCZRS-JOCBIADPSA-N 386.404 0.714 0 50 GCAA O=C([C@H]1COCCN1CC1CCC1)N1CCC(N2CCCS2(=O)=O)CC1 334007387 URODOUANYKXJBJ-QGZVFWFLSA-N 385.530 0.514 0 50 GCAA CC1(C)Cc2c(cnn2-c2ccncc2)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 952892969 KIUWDCLWFSKCKL-AWEZNQCLSA-N 382.424 0.776 0 50 GCAA Cc1nn(C)cc1NC(=O)CN1CC[C@]2(O)CCN(C(=O)C3CCC3)C[C@@H]2C1 1565508606 LQCXPIYTTTXVQY-JXFKEZNVSA-N 389.500 0.752 0 50 GCAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccco3)CC2)[C@H]1O 1704327900 JIWAWJJKNJLZBC-ZWKOTPCHSA-N 380.441 0.947 0 50 GCAA Cn1c(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cc(=O)n(C)c1=O 1857672950 AZISXMNYIZAFKI-UHFFFAOYSA-N 379.420 0.715 0 50 GCAA CC(=O)N1CCCN(C(=O)[C@]23COC[C@H]2CN(Cc2cccnc2N)C3)CC1 1857684314 IGUSMCFYCKHCKF-YLJYHZDGSA-N 387.484 0.193 0 50 GCAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)NCCOCCO)sc12 1857694645 SZOJBJWYWUFPOF-UHFFFAOYSA-N 398.481 0.435 0 50 GCAA Cc1cc(-c2nc(CC(N)=O)nn2[C@@H]2CCS(=O)(=O)C2)n(C(C)(C)C)n1 1857698112 XXQUBFVHXFDKCY-LLVKDONJSA-N 380.474 0.592 0 50 GCAA CN1CCCN(CC(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)CC1 1857717146 XBTAHTKQXPRZKH-FPOVZHCZSA-N 393.503 0.578 0 50 GCAA Cc1ccc(OCC(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857718747 QZPQRYHZWSXCDZ-RYRKJORJSA-N 375.469 0.810 0 50 GCAA Cn1cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cn1 1857719265 IEURXBGLLDXKSI-UHFFFAOYSA-N 398.467 0.873 0 50 GCAA CC(C)CN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)CO)CC(=O)N2[C@H]1c1ccccc1 1857738235 YEEZWRGFSBLBTF-ZWOKBUDYSA-N 387.480 0.894 0 50 GCAA O=C1CN(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)C34CCC(CC3)C4)C2)C(=O)N1 2325878393 NWHJJHNUUSHMEG-IXVUQVCVSA-N 376.457 0.662 0 50 GCAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)c(C)c1 802556 GLCLYTZPOSDWNZ-UHFFFAOYSA-N 381.498 0.956 0 50 GCAA Cc1cc2c(cc1Br)=NC(=O)C=2NN1C(=O)c2ccccc2C1=O 5442546 NWSOXUBJWFHQCK-UHFFFAOYSA-N 384.189 0.826 0 50 GCAA CCOC(=O)N1CCN(c2nc3nonc3nc2N2CCSCC2)CC1 12387541 JZSVMDKFDSBRCZ-UHFFFAOYSA-N 379.446 0.845 0 50 GCAA CCn1c(C2CCN(C(=O)[C@H]3CCC(=O)N(CCOC)C3)CC2)n[nH]c1=O 67934758 QZUPPZJXKWLNLI-AWEZNQCLSA-N 379.461 0.182 0 50 GCAA Cc1cc(N)n(CC(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n1 92002733 SEYLRGLMOIQPDV-LJQANCHMSA-N 375.473 0.794 0 50 GCAA C[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1cnnn1 95527946 NHOLJCGPOWUZRZ-LBPRGKRZSA-N 384.444 0.270 0 50 GCAA CN(CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCN(CC(F)(F)F)C1=O 170639724 WFZGVOPKFYAIRK-LLVKDONJSA-N 376.379 0.946 0 50 GCAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCOCC2)o1 229714134 CJBBJJLDMMVLKX-KBPBESRZSA-N 383.470 0.657 0 50 GCAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(C)=O)CC4)c3CO2)cc1 263617725 PHYBUBCKOSFIRP-QGZVFWFLSA-N 385.424 0.863 0 50 GCAA CN(C)C[C@H](O)CN1CCN(C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 299782760 UGTFNXKOTJNYPQ-KRWDZBQOSA-N 377.489 0.460 0 50 GCAA Cc1ccn2ncc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)c2c1 333648646 DOVJNYSYVLVPMQ-HNNXBMFYSA-N 392.481 0.909 0 50 GCAA O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCC(c2ncon2)CC1 426393071 SBMKRMCHFDYATJ-OAHLLOKOSA-N 382.486 0.675 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)NC1 1772814390 WOAKSVOFDPSIFL-UHFFFAOYSA-N 397.483 0.442 0 50 GCAA C[C@]1(CO)O[C@H](N2CCN(Cc3ccccc3)CC2)[C@](C)(O)[C@](C)(O)[C@@]1(C)O 1848442267 XOSLXWLHQVUTQP-SSTJLMRISA-N 394.512 0.165 0 50 GCAA COCc1nnc(N2C[C@H](C(=O)N3CCOC4(CCNCC4)C3)CC2=O)s1 1857738260 ZGJZDPBEYCVPAE-GFCCVEGCSA-N 395.485 0.018 0 50 GCAA CN1CC[C@H](C(=O)NCc2cnc3c(c2)CN(C(=O)C2CCOCC2)CC3)C1 1875243832 ZOIWKLJKSDJOQW-KRWDZBQOSA-N 386.496 0.961 0 50 GCAA CCOc1ncccc1S(=O)(=O)NC(=O)CCn1nc2ccccn2c1=O 1875313676 WQNMMYZJRDQCDD-UHFFFAOYSA-N 391.409 0.185 0 50 GCAA CCN1C[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1=O 1875334795 FHHLACSUVSVSHV-XOBRGWDASA-N 398.467 0.856 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2cc3c(cn2)OCCO3)ncn1 1875397501 CCURJVNXWVQCQM-HUUCEWRRSA-N 386.456 0.438 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H]4CCCCNC4)ccc3C2=O)C(=O)N1 2325895728 HUYGNCMHMCXKTB-HOCLYGCPSA-N 384.436 0.320 0 50 GCAA COc1cc(-c2cc(=NC(=O)[C@H]3CCS(=O)(=O)C3)[nH][nH]2)cc(OC)c1OC 2356165418 HQGXSGCKAWFXKU-JTQLQIEISA-N 395.437 0.898 0 50 GCAA COCCn1c(=O)n(CC(=O)N2C[C@H](C)O[C@H](C)C2)c2cc(C(=O)O)ccc21 55360365 FIABVUBCBZLXLR-BETUJISGSA-N 391.424 0.783 0 50 GCAA O=C(CCn1cccn1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72456674 WMBMOLYUSHACHP-SJORKVTESA-N 389.481 0.178 0 50 GCAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3cn(CCN)nn3)O2)CC1 77407186 YZSKVGLCDZQJIO-INIZCTEOSA-N 376.505 0.946 0 50 GCAA Cn1ncc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c1C1CC1 230534366 CMDWRLZIJCIAMT-MRXNPFEDSA-N 379.486 0.588 0 50 GCAA CN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1N=C(O)N(c2ccccc2)C1=O 252483586 FFOZIMLYSCGFCB-ZDUSSCGKSA-N 382.442 0.104 0 50 GCAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Cn1cnc2c(cnn2C)c1=O 252494353 NSWQXXBFYSEPSQ-GFCCVEGCSA-N 392.460 0.892 0 50 GCAA CN1C(=O)N[C@]2(CCN(C(=O)NCCNC(=O)c3c(F)cccc3F)C2)C1=O 269701831 PUOCSVBTFMQELS-KRWDZBQOSA-N 395.366 0.030 0 50 GCAA Cc1nccc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)CC2)n1 366156742 PNSVSCVMZUUVGH-RKVPGOIHSA-N 388.472 0.443 0 50 GCAA Cc1c(C(=O)N2CCC[C@](O)(C(N)=O)C2)nnn1-c1ccc2ncccc2c1 367570669 HZKCLLDHYLJZMB-LJQANCHMSA-N 380.408 0.576 0 50 GCAA C/C=C(\C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)N[C@H]3C[C@@H](O)C3)C2)C1 952876791 WTWARECTKWWVBO-ISQRUBBQSA-N 384.498 0.434 0 50 GCAA COCc1nc(CN2CC[C@]3(O)CCN(C(=O)N4CCCC4)C[C@@H]3C2)no1 1565529351 MRMNLANYYFXFOA-KSSFIOAISA-N 379.461 0.691 0 50 GCAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704354505 GTYZXZXACABKOA-RHSMWYFYSA-N 375.450 0.702 0 50 GCAA COC(=O)N1CCN(C(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)CC1 1772813890 ZUAYKQLASFOKPB-CYBMUJFWSA-N 394.497 0.995 0 50 GCAA O=C(N[C@@H]1CN(CC(=O)N2CCOc3ccccc32)CC[C@H]1O)c1ccncc1 1857678991 PFFJJHAPLKEWNR-SJLPKXTDSA-N 396.447 0.672 0 50 GCAA CN1CCn2nc(C(=O)NCc3nncn3CCc3ccccc3)cc2C1=O 1857680810 VCETXHNZTSJXIK-UHFFFAOYSA-N 379.424 0.733 0 50 GCAA O=C(CCn1cnnc1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857696458 BBWPUAYHTPEBCV-STQMWFEESA-N 377.426 0.009 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H]1O 1857738026 ODJQNXNIIFHLLG-XJKSGUPXSA-N 378.454 0.401 0 50 GCAA O=C(N1CCC(n2ccc(O)nc2=O)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 1875313244 MYKODUCHKFPEBC-OAQYLSRUSA-N 398.463 0.749 0 50 GCAA COCC(=O)NCc1ccnc(CNC(=O)c2cccc(S(C)(=O)=O)c2)c1 2100477226 SPTMCGJMXORJND-UHFFFAOYSA-N 391.449 0.678 0 50 GCAA CC1(C)CNCC[C@@H]1NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325895904 MCZMVLZNFDWIPV-HOTGVXAUSA-N 398.463 0.566 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)NCC[C@@H]4CCCNC4)ccc3C2=O)C(=O)N1 2325896421 YFDCYDWCPHYTPV-SUMWQHHRSA-N 398.463 0.567 0 50 GCAA NC[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CC1 2325896794 HBQRPADCVKXNSX-SRCQZFHVSA-N 398.463 0.695 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(Cc3cccs3)C2=O)cc1 2211100 MTKBTMVAWORRHN-HNNXBMFYSA-N 393.490 0.855 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)nn(C)c1=O 67489473 UMFCONYIWAJJDW-LLVKDONJSA-N 376.417 0.429 0 50 GCAA CCN1CCN(C(=O)[C@H]2C[C@H](c3cccc(OC)c3)NS(=O)(=O)N2C)CC1 71375895 JPSUCJLHIPHTPX-IAGOWNOFSA-N 396.513 0.439 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cccnn3)CC2)C1 71575733 AUPMSWQSOUFRRU-HNNXBMFYSA-N 375.473 0.556 0 50 GCAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(CCn4cncn4)CC3)C2)CC1 71753435 ZAZKVPNQVYJNBZ-SFHVURJKSA-N 389.548 0.229 0 50 GCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCN(CC)CC2)[C@H]3C1=O 77379397 HETBPMMBQLMSNW-CLWJZODNSA-N 377.485 0.359 0 50 GCAA COc1cccc2c1OC[C@@H](C(=O)N1CCN(CCS(C)(=O)=O)CC1)C2 95358478 JJLZCVYZJMVIBD-HNNXBMFYSA-N 382.482 0.435 0 50 GCAA CCC(=O)N1C[C@H](NC(=O)c2cnc(NC)nc2)C[C@H]1C(=O)N(CC)CC 96180095 NDVDHTPWFJUXFE-KGLIPLIRSA-N 376.461 0.496 0 50 GCAA Cn1cc(C(N)=O)cc1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 124826655 JFUYIBNYMZOHRK-UHFFFAOYSA-N 380.408 0.889 0 50 GCAA CN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 248039743 NVLDKMPCVBWOIK-NEPJUHHUSA-N 378.454 0.118 0 50 GCAA O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCOCC3)CC2)cc1 262523558 FSNPURGVXRVCHL-UHFFFAOYSA-N 382.438 0.644 0 50 GCAA COc1ccccc1[C@H]1NC(=O)N(CC(=O)N2CCOCC2)C2=C1C(=O)OC2 263618025 QXCUXDATZYVFFL-QGZVFWFLSA-N 387.392 0.431 0 50 GCAA COc1ccc(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)cc1OCCCN 299755132 CHUAOSUJXRTGLQ-IBGZPJMESA-N 377.441 0.496 0 50 GCAA O=C(NCc1cn2c(n1)SCC2)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 426678189 UYKYJXRJOMTJIA-AWEZNQCLSA-N 379.486 0.912 0 50 GCAA Cn1c(=O)nc(O)c2cc(C(=O)NCCOc3ncccc3Cl)cnc21 472716511 YDWHHQAVLMYWGS-UHFFFAOYSA-N 375.772 0.891 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C(F)(F)F 480721140 VZINSBVGIHEWAQ-RKDXNWHRSA-N 397.379 0.066 0 50 GCAA Cc1nonc1CC(=O)N1CCOC2(CCN(C(=O)Cn3cccn3)CC2)C1 827921104 JDVJTYLSCUZVRK-UHFFFAOYSA-N 388.428 0.037 0 50 GCAA O=C(CN1CCCCS1(=O)=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 878126408 WXPHEEJDLFOLAU-UHFFFAOYSA-N 383.445 0.536 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772804458 PKFRFNMYRVLHBV-QGZVFWFLSA-N 392.437 0.161 0 50 GCAA O=C(c1cccnc1O)N1C[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@]2(CO)C1 1772808796 BNXICQITIPLRMA-BUXKBTBVSA-N 380.408 0.629 0 50 GCAA O=C(NCc1nnc2n1CCC2)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857680939 RXDUOYAEYJUVLC-JXXFODFXSA-N 388.516 0.321 0 50 GCAA N[C@@H](CO)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC3CCC3)cc12 1857693734 KJFQKZVIMPGBHQ-AWEZNQCLSA-N 393.509 0.740 0 50 GCAA COCCCc1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355738 ORRDAXXEVFZJMJ-INIZCTEOSA-N 383.408 0.607 0 50 GCAA O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402071 ANMYTYDDIYXSLI-IPMKNSEASA-N 398.511 0.746 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)N2CCc3ccc(O)cc3C2)C[C@@H]1O)C1CCOCC1 1940198082 MGTWZFDYYPSDQM-SNRMKQJTSA-N 388.464 0.959 0 50 GCAA COc1cc(OC)cc(C(=O)N[C@H]2C[C@H](C(=O)N3CCOCC3)C[C@@H]2O)c1 2100544819 KSOVEEIRSOGYRN-JQFCIGGWSA-N 378.425 0.432 0 50 GCAA C[C@@](O)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nn1)C1CCC1 2325829748 RBHZSQBBVOLOTF-QZNHQWIBSA-N 389.456 0.216 0 50 GCAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Br)n(C)c1=O 1182649 WDAGKLFLUOTZOU-UHFFFAOYSA-N 392.213 0.835 0 50 GCAA biogenic OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@H](O)[C@H]1O 2126597 NLRXQZJJCPRATR-ARKGTOAJSA-N 385.210 0.781 0 50 GCAA in-vitro CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccccc3F)[C@@H]2SC1 6318111 YTGHOZCLARAFPJ-LRDDRELGSA-N 394.380 0.741 0 50 GCAA COC(=O)COc1ccc(Oc2nc(N(C)C)nc(N3CCCC3)n2)nn1 9201775 YBUNFIZXVHRNIW-UHFFFAOYSA-N 375.389 0.672 0 50 GCAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)Cn1nnnc1CN1CCCC1 12386153 DUKHHBQCCPHLJJ-SFHVURJKSA-N 383.500 0.784 0 50 GCAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C1 14748534 GXOJFSZXAFOUMB-OAACRXHESA-N 380.832 0.619 0 50 GCAA CCNC(=O)N1CCC[C@@](O)(CNS(=O)(=O)c2cnn(CC)c2C)CC1 72143510 DDWHPWXZBALZHU-INIZCTEOSA-N 387.506 0.436 0 50 GCAA O=C(Cc1ccc2c(c1)OCO2)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72436533 MXVRVAXFXAIYDA-CVEARBPZSA-N 392.477 0.678 0 50 GCAA O=C(c1ccc(O)cc1)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72478371 VIHFTPNUPHVAQQ-MSOLQXFVSA-N 387.461 0.911 0 50 GCAA COc1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)ccn1 92046069 WWOZPXDTPNJKML-UHFFFAOYSA-N 379.442 0.382 0 50 GCAA O=C(c1cccnc1O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 247795777 CMVFFDPDQXGQJB-CABCVRRESA-N 376.413 0.155 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1=O 328614846 XASDPAKPWVWMIT-JTQLQIEISA-N 384.849 0.525 0 50 GCAA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 328628797 ODNRXXUZEWPALG-GXFFZTMASA-N 395.441 0.535 0 50 GCAA CC(=O)N1CCOC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 820570078 BWUVGVXECSVXDE-UHFFFAOYSA-N 396.465 0.860 0 50 GCAA C[C@H]1CN(c2cc(C(=O)N3CCC(CNS(C)(=O)=O)CC3)ccn2)CCO1 952961842 OHVRLAZQXBXMJP-AWEZNQCLSA-N 396.513 0.708 0 50 GCAA C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CN(C(=O)c2ccnn2C)CCO3)CCN1C 1775990051 CCJREWKOBILCKM-HZPDHXFCSA-N 389.500 0.594 0 50 GCAA CSCCC(=O)NCC1(NC(=O)CN2CCN(C)C(=O)C2)CCCCC1 1775992535 RERMZJJLTMIJSL-UHFFFAOYSA-N 384.546 0.449 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)c3cc4c(nc3OC)CCC4)CCO2)n1 1857716934 HEQTVHMNOVYEQC-HNNXBMFYSA-N 388.428 0.426 0 50 GCAA C[C@H]1CN2C[C@H](NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)C[C@H]2CO1 1857735887 JKFOIXONYZBQPP-BJJXKVORSA-N 385.461 0.570 0 50 GCAA O=C(N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCc4ncnn43)C[C@H]21)c1cn[nH]c1 1875361852 FJCHECWFVAPXPG-DTZQCDIJSA-N 383.456 0.936 0 50 GCAA O=C(C(=O)N1C[C@@]23CCCC[C@@]2(C1)CS(=O)(=O)C3)N1CCC2(CCN2)CC1 2325774465 IFTUGXDIDUACBW-QZTJIDSGSA-N 395.525 0.158 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCn2cccn2)c(F)c1 12574991 DLHZUBDFZUPTSN-QGZVFWFLSA-N 389.431 0.538 0 50 GCAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2C/C=C/c2ccccc2)n(C)c1=O 20051813 PCQIFAHSBBRAIE-RMKNXTFCSA-N 395.463 0.979 0 50 GCAA CCCCOC(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77356727 OIKFAJOOTYBZTE-CABCVRRESA-N 381.454 0.942 0 50 GCAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCC(N2CCOC2=O)CC1 82137327 JSVUMKBVVPJAAO-AWEZNQCLSA-N 376.461 0.867 0 50 GCAA O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)NCCn2cccn2)c1 95358699 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1506425560 MHRRTBFSXPSOLW-MRXNPFEDSA-N 378.440 0.701 0 50 GCAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565517011 ZNPKFYIPNSJXEZ-IRXDYDNUSA-N 380.408 0.953 0 50 GCAA Cc1ccc2nc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)c(F)n2c1 1704344345 LHJPXSQKCREAPJ-RYUDHWBXSA-N 384.433 0.418 0 50 GCAA CC(C)c1nc(CN2C[C@@H]3CN(C(=O)CCn4cnnn4)C[C@]3(CO)C2)co1 1772814244 PQJFRNAFUXSHHW-KDOFPFPSSA-N 389.460 0.128 0 50 GCAA NC(=O)Cc1nc(-c2cn3c(n2)CCNCC3)n(-c2ccc3c(c2)OCO3)n1 1857738978 HFJJPIGIKRTJJY-UHFFFAOYSA-N 381.396 0.033 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H]2C2CC2)CC1 1875268145 QADWZECFMMDKPH-ZBFHGGJFSA-N 388.443 0.878 0 50 GCAA Cn1c(=O)nc(O)c2cc(-c3nc(C4(CS(C)(=O)=O)CCC4)no3)cnc21 1875343113 QXBYJJDOJHVQNI-UHFFFAOYSA-N 391.409 0.550 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)N=c4cc[nH]cc4)cc3C2=O)C(=O)N1 2325886688 FDOBUGOLZCCQFF-MRXNPFEDSA-N 393.403 0.586 0 50 GCAA CC[C@@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763367 ABZLHWFIQIXUGG-DYVFJYSZSA-N 393.440 0.733 0 50 GCAA COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 16650421 ZMQQJCBMYZTFHP-CJNGLKHVSA-N 389.495 0.275 0 50 GCAA Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 19595563 MAMDJFPTOISNCU-GOSISDBHSA-N 391.516 0.529 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)C(=O)Nc3nnc(C)s3)C2)nn(C)c1=O 67741163 CIXCBKTYHYBENV-SNVBAGLBSA-N 379.446 0.106 0 50 GCAA Cc1cc(C)n(CCCC(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)n1 92038429 QILIQHZUSZQKNP-RTBURBONSA-N 377.533 0.594 0 50 GCAA Cc1nc(CCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)sc1C 96166703 PLBISINHTCMPLR-CVEARBPZSA-N 394.541 0.893 0 50 GCAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 299395242 IFKQXDYJOOXJPA-KRWDZBQOSA-N 398.467 0.064 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C1=O 328610285 HFFQFMDLKOITLW-GFCCVEGCSA-N 392.437 0.665 0 50 GCAA Cc1ccn2c(NC(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3)nnc2n1 1529126357 FZWYJEQTOXLRLK-HNNXBMFYSA-N 379.424 0.762 0 50 GCAA C[C@]1(O)CC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)OC[C@@H]1O 1704339394 SBXZMDFBRIVXPN-IRXDYDNUSA-N 399.465 0.513 0 50 GCAA CCN(CC(=O)N[C@H]1C[C@](F)(CN=c2ncnc3[nH][nH]c(C)c2-3)C1)C1CC1 1875326215 MLVCAUZQNDEVHN-HEHXSTRBSA-N 375.452 0.918 0 50 GCAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(CNC4CCC4)nn3)C2=O)C(=O)N1 1875355433 KJYNAXPPTDKLEA-KRWDZBQOSA-N 394.435 0.670 0 50 GCAA Cc1c(C(=O)NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cnc2ccnn12 2325819540 HZXNTBIKNQXWHD-UHFFFAOYSA-N 394.434 0.560 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)N[C@H]4CC45CCC5)cc3C2=O)C(=O)N1 2325898251 YJTJGZUUOXYTPT-KGLIPLIRSA-N 381.388 0.760 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccnn3C)CC2)C1 71524657 GEHRPUGMQFSGKN-OAHLLOKOSA-N 377.489 0.499 0 50 GCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91254894 FRQLOCBMTPNTQI-HNNXBMFYSA-N 387.440 0.182 0 50 GCAA COCC(=O)N1CC[C@]2(O)CCN(c3ccc(Cl)c(C(=O)O)n3)C[C@@H]2C1 95365854 BAYOVNCBTNUJJR-PIGZYNQJSA-N 383.832 0.869 0 50 GCAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc4c(c3)OCO4)C2=O)n(C)n1 328613321 RNKFWVFUUWNIQC-CYBMUJFWSA-N 392.437 0.931 0 50 GCAA C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc(-n3ccnc3)ccn2)CC1 329442642 NIOIVLCSLQGTFZ-INIZCTEOSA-N 398.467 0.272 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 734244636 WKSCOEZNIRCOSM-MRXNPFEDSA-N 381.498 0.968 0 50 GCAA O=C1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)[C@@H]2CCCC[C@@H]2N1 828301472 IDTHMLULMLCPBL-UONOGXRCSA-N 386.456 0.615 0 50 GCAA CC1=NNC(=O)[C@@H]1CCNC(=O)[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cnn(C)c1C 888102309 LSPAKLSKMYOEFH-CKEIUWERSA-N 386.456 0.409 0 50 GCAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=NN3CCCN=C3N1)CC2 952888064 ZNZCCHNJTUXPTM-CYBMUJFWSA-N 387.513 0.934 0 50 GCAA Cc1cc(-c2cc(S(=O)(=O)NC[C@H]3CN(C)C(=O)CO3)c(C)s2)n[nH]1 1506401577 DVMQDVDZVJWMSG-NSHDSACASA-N 384.483 0.891 0 50 GCAA COc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)c(OC)cc1Cl 1704337158 XMRRZONHMPUKGE-WCBMZHEXSA-N 379.818 0.813 0 50 GCAA COc1cc(Cl)ccc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704341479 TXACTBZWKXCPLG-GWCFXTLKSA-N 376.862 0.985 0 50 GCAA Cc1ccc(C)c(-n2nc(CC(N)=O)nc2-c2cc3n(n2)CCN(C)C3=O)c1 1857674538 MQBGYLYSOVVIHX-UHFFFAOYSA-N 379.424 0.861 0 50 GCAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1857711518 DQDZUIGPACFDID-SJCJKPOMSA-N 397.472 0.869 0 50 GCAA CN(C)C[C@H]1[C@H]2CN(c3ncc(F)c(N4CCOCC4)n3)C[C@]23CC[C@H]1O3 1857712142 FCFWPZJOPCNFCS-XWESNNAXSA-N 377.464 0.998 0 50 GCAA CS(=O)(=O)N1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1875241143 PGNJJAISKARLSG-MRXNPFEDSA-N 381.498 0.838 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCN2CCn3nc(C(=O)O)cc3C2=O)cc1 1940194960 FNKSANIKUMMWBK-UHFFFAOYSA-N 392.437 0.714 0 50 GCAA CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2cn3cc(C)nc3s2)C1 2325826645 IBZIRHGWDKLSIV-CYBMUJFWSA-N 377.470 0.903 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](CNCCC(=O)NC2CCCCCCC2)C1 65393597 ZDKCDHAFHZDTNC-INIZCTEOSA-N 375.535 0.856 0 50 GCAA CNC(=O)CN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O 67818789 XBUKVWYUYALNQU-LJQANCHMSA-N 379.457 0.235 0 50 GCAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@@H](O)CO)nc2c1=O 72440018 NRIQBBODFSLSIZ-SNVBAGLBSA-N 376.800 0.436 0 50 GCAA COc1ccc(S(=O)(=O)NCCNc2nc(O)c3c(n2)CNCC3)cc1 77436523 GYGHPXIYEPXCIB-UHFFFAOYSA-N 379.442 0.227 0 50 GCAA CC(=O)NCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCCCCC2)[C@H]3C1=O 77536149 FBFQJQKLARCNBD-CLWJZODNSA-N 375.469 0.697 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2)CN1C(=O)CCOC 96164332 PGKFCFIURRMMQT-HOCLYGCPSA-N 377.441 0.567 0 50 GCAA O=C1COc2cc(NC(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)ccc2N1 97775686 WJHAJJVTDJAFNR-GJZGRUSLSA-N 376.413 0.317 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100928537 NLFLKHLVEJCFTP-FCIDVOKBSA-N 375.406 0.080 0 50 GCAA CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H](N)C2)c1 125087651 ILPVWWNBTMHOIK-QMMMGPOBSA-N 383.289 0.574 0 50 GCAA Cn1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2=O)n1 172847901 XTDCITUSGXXBBG-OAHLLOKOSA-N 380.412 0.250 0 50 GCAA Cn1cc([C@H]2CCCN2CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cn1 225540860 SDCMXAHSNVOBIZ-MRXNPFEDSA-N 389.481 0.794 0 50 GCAA CN(CCC(=O)NCc1ccccc1-n1cncn1)[C@H]1CCS(=O)(=O)C1 230585646 AQJYGIJJLRUQMP-HNNXBMFYSA-N 377.470 0.393 0 50 GCAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(N3CCOCC3)c3nonc23)[C@H]2C=C[C@H]1O2 239433772 YKWGOEPMXPEGRS-AAVRWANBSA-N 386.364 0.652 0 50 GCAA C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H](N)[C@H](c2ccccc2)C1 261802092 QZKPLTNFMDPQIS-YTQUADARSA-N 380.496 0.940 0 50 GCAA COc1ccccc1N1CC[C@@H](CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 272624015 WUZVOCCRAIDJHE-AWEZNQCLSA-N 386.456 0.974 0 50 GCAA O=C1C[C@@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CN1c1ccccc1 299790916 CGQTVUFXTLJTGY-KRWDZBQOSA-N 392.525 0.998 0 50 GCAA COCCn1cc(C[C@@H]2N=C(O)N(Cc3cccc4c3OCCO4)C2=O)nn1 328614632 WKNCLHZYKSGPGQ-AWEZNQCLSA-N 387.396 0.563 0 50 GCAA NS(=O)(=O)c1ccccc1-c1cccc(C(=O)NC[C@@]2(O)CCNC2)c1 426379642 GXOZNABDGRICGG-GOSISDBHSA-N 375.450 0.455 0 50 GCAA O=C(CCC(=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1)Nc1nncs1 1772710314 PONKEIGOUQSMFI-LBPRGKRZSA-N 381.458 0.354 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3cccc(-n4cnnc4)n3)CC(=O)N21 1857738027 OHHKFZKDVUHCRA-YDHLFZDLSA-N 398.423 0.287 0 50 GCAA 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CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3cccc(OC)c3)nn2)CN1 67885685 SYBKYPQORKNCJH-ZFWWWQNUSA-N 386.456 0.601 0 50 GCAA CN1CCC(O)(CNC[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 67908837 CDBVTYHWOCRURP-HXUWFJFHSA-N 379.476 0.726 0 50 GCAA COc1ccc(F)c(-c2nc(CN3CCN4C(=O)CNC(=O)[C@@H]4C3)c(C)o2)c1 71776352 FFXSRRKBRIUWDE-INIZCTEOSA-N 388.399 0.940 0 50 GCAA CCN1CCN(C(=O)Cc2ccc3nc(C)[nH]c3c2)[C@H]2CS(=O)(=O)C[C@H]21 77564556 BKXUIJRQZSXUPK-SJORKVTESA-N 376.482 0.744 0 50 GCAA CCn1nccc1C(=O)N1CCN(C)[C@]2(CCC(=O)N(CCOC)CC2)C1 95383625 QUQGRVVTTMBBOO-IBGZPJMESA-N 377.489 0.688 0 50 GCAA CCN1CCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95387645 SGRNHMSWPXWYRP-INIZCTEOSA-N 381.498 0.922 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1 95510908 ZDICBKRXPAHVTE-OAHLLOKOSA-N 384.502 0.896 0 50 GCAA CC(=O)c1ccc(N2CCN(C(=O)[C@@]34CNC[C@@H]3CN(C(C)=O)C4)CC2)cc1 96147974 RGWITNGXRIYFEH-WIYYLYMNSA-N 384.480 0.606 0 50 GCAA CCc1ccc(N2C[C@@H](C(=O)NCCN3CCCS3(=O)=O)CC2=O)cc1 147873608 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O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCc2cccnc2)C1)c1cnccn1 1857684645 WMBYYIURTHHVQA-OXJNMPFZSA-N 380.452 0.915 0 50 GCAA CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)cc21 1857741442 SPWYQXCYSSPYJL-QEJZJMRPSA-N 395.481 0.572 0 50 GCAA CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1cc(=O)n(C)c(=O)n1C 1875262216 BOSNOICPBYESEN-DYVFJYSZSA-N 386.452 0.545 0 50 GCAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccnn1C1CCCC1)C2 1875395488 COQLFEOEFTXADG-AWEZNQCLSA-N 394.497 0.716 0 50 GCAA CCN1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 12244108 KHFVZNZABIQVKU-HNNXBMFYSA-N 391.468 0.903 0 50 GCAA C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCOCC3)cc2)C1 59765781 CREGVHQGDUVZBG-AWEZNQCLSA-N 395.481 0.905 0 50 GCAA COCCN1C[C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@]2(C(=O)O)C1 96153626 BQKALPZPEKUFFE-CRAIPNDOSA-N 382.482 0.555 0 50 GCAA CN(C)C(=O)N1CC[C@@H]2CN(C(=O)c3nn(-c4ccccc4)c(=O)cc3O)C[C@@H]21 219958608 BGLUYUVEZGQMES-HIFRSBDPSA-N 397.435 0.766 0 50 GCAA CC(=O)N[C@@](C)(C(=O)NCC1CCOCC1)c1ccc(S(C)(=O)=O)cc1 282037431 SBAUWMNAOQEBIF-GOSISDBHSA-N 382.482 0.984 0 50 GCAA COc1ccc(CN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CCNC2)cc1F 328635269 NFAKYKGIFRAPHH-HNNXBMFYSA-N 376.432 0.596 0 50 GCAA CC(=O)N1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)no2)C[C@@H](O)C1 584900432 WBTDIZZEUDASSZ-AWEZNQCLSA-N 377.376 0.610 0 50 GCAA CC(C)CN1CCn2nc(CNC(=O)[C@@H]3CCCN(CC(N)=O)C3)cc2C1 952868151 ZPUMJTLHTORLMF-OAHLLOKOSA-N 376.505 0.168 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC([C@@H](O)c3cccs3)CC2)c(=O)n(C)c1=O 952869724 NLKTUVJQGSWAIQ-CQSZACIVSA-N 399.494 0.280 0 50 GCAA COc1cccc(C)c1C(=O)N1CCCN(S(=O)(=O)N2CCOCC2)CC1 952984947 OWEZAJZDPCIEHR-UHFFFAOYSA-N 397.497 0.729 0 50 GCAA CS(=O)(=O)N(CC(=O)N1CCNC(=O)C12CCCC2)c1cccc(F)c1 1506414459 QEZFBUBSAXUBRM-UHFFFAOYSA-N 383.445 0.863 0 50 GCAA CCCc1nnsc1C(=O)N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1565516866 RMXBTSKHVLZJDK-GWCFXTLKSA-N 379.442 0.792 0 50 GCAA Cn1c(O)ncc(CC(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)c1=O 1565525590 BPYYYHVMPJIOOM-CJNGLKHVSA-N 376.457 0.130 0 50 GCAA NC(=O)[C@H](CO)NC(=O)c1cc2c(s1)C1(CCN(CC3CC3)CC1)OCC2 1857693006 DNVBDTNHIJGTSC-AWEZNQCLSA-N 393.509 0.598 0 50 GCAA CN1CCN(C[C@H](O)C2CCN(c3nc4ccccc4n3CCO)CC2)CC1 1857713670 CABKVWXLYOEFPE-FQEVSTJZSA-N 387.528 0.853 0 50 GCAA CNC(=O)c1noc(CN2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1 1857722107 OIPALYRTNBBBSS-GJZGRUSLSA-N 385.424 0.431 0 50 GCAA CC(=O)NCC12CC(C(=O)N[C@@H](C)Cc3ccccn3)(C1)C1(CCNCC1)O2 1875393542 NVRRMGBNJBIMAQ-VMEOHVCESA-N 386.496 0.936 0 50 GCAA O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1O[C@@H]2CC[C@H]1[C@@H](O)[C@H]2O 2325804164 XYLUJDSBPYDEEN-UNJBNNCHSA-N 375.347 0.807 0 50 GCAA O=C([C@@H]1CCn2c(cnc2-c2ccccc2)C1)N1CCS(=O)(=O)[C@@H](CO)C1 2325810988 VSHWGJUSIZWWFQ-NVXWUHKLSA-N 389.477 0.730 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2cn[nH]c2)CC[C@H]1N=c1cc[nH]c(=N)[nH]1 2356141549 HAGFGFUSOGWTPF-ARFHVFGLSA-N 387.488 0.769 0 50 GCAA COC(=O)Cn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4453298 XYYJKXWTOHKBNZ-UHFFFAOYSA-N 385.424 0.239 0 50 GCAA Cc1cc2ccccc2n1CCNC(=O)CCn1nnnc1CN1CCOCC1 20996365 OJXSOWJJGALCJY-UHFFFAOYSA-N 397.483 0.975 0 50 GCAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3snnc3C)CC2)n1 48985024 AYGIALHHCPATKQ-UHFFFAOYSA-N 389.485 0.744 0 50 GCAA O=C1NC(=O)[C@H](CC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)N1 56303833 TXVXFHDYPBFZHY-ZDUSSCGKSA-N 378.816 0.613 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)Nc3ccc(Cl)nc3)nn2)CN1 67755937 DEOQLVAAYNIDLQ-RYUDHWBXSA-N 378.824 0.297 0 50 GCAA CN(C)CC(C)(C)CN1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72423433 NOYVANOEBDSIHR-MSOLQXFVSA-N 380.558 0.953 0 50 GCAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@H](O)CO)nc2c1=O 72440016 NRIQBBODFSLSIZ-JTQLQIEISA-N 376.800 0.436 0 50 GCAA COc1ccc(CNC(=O)CCN2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc1 95368594 RAYSBURLUSMZMU-INIZCTEOSA-N 389.452 0.757 0 50 GCAA COC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 97797343 ZCVJWUAJWYREAK-INIZCTEOSA-N 381.498 0.922 0 50 GCAA Cc1cc(C)n2nc(CC(=O)N3CCN(C(=O)c4ccncc4)CC3)nc2n1 119960047 NFTUZSRHHSIHFU-UHFFFAOYSA-N 379.424 0.663 0 50 GCAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCN2CCOCC2)cc1 222695434 LHMHVVHXLWCVPA-IAGOWNOFSA-N 377.441 0.160 0 50 GCAA 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 247748168 SWZAAWVYEJWXBG-JBAWGBACSA-N 376.359 0.922 0 50 GCAA C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 269419706 XFUOGRNPPCCTGJ-STQMWFEESA-N 383.412 0.573 0 50 GCAA O=C(N1CCCC1)N1CCC[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 329079009 QRKAOKHPZNNREQ-CABCVRRESA-N 397.501 0.803 0 50 GCAA O=C(NCCc1nc2ccc(F)cc2[nH]1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1565531255 LTEAFFWGPOIRFD-KGLIPLIRSA-N 381.433 0.025 0 50 GCAA Cc1cc2[nH]cc(C(=O)N3CC[C@H]4[C@@H](C3)CN4C(=O)c3cc(C)on3)c(=O)n2n1 1775983991 XKKLNVKQDJIGHJ-WFASDCNBSA-N 396.407 0.614 0 50 GCAA O=C(c1cnc(O)[nH]1)N1CC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1779645584 HCDRHPXTXBKHMI-OAQYLSRUSA-N 396.447 0.974 0 50 GCAA COCCC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCn2nnnc21 1857670050 NFNHHURGBYYWKQ-CTASWTNQSA-N 376.461 0.330 0 50 GCAA CC(C)[C@@H]1CN2C[C@H](NC(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C[C@H]2CO1 1857740424 INMOYALJBMQNOX-LFRCEIEQSA-N 376.505 0.948 0 50 GCAA CC(=O)NC1(C(=O)N[C@H](CNC(=O)c2cc(C(N)=O)co2)C2CC2)CCCC1 1875347146 ISJOTOBCPGDPHE-CQSZACIVSA-N 390.440 0.452 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@@H]2C(=O)N1CCOCC2(CCCC2)C1 1875395625 HBSIFJXRDRELPE-INIZCTEOSA-N 396.513 0.698 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCO[C@H](c2nn[nH]n2)C1 2100534542 NDFCRFUMZHGIGC-ZDUSSCGKSA-N 391.413 0.156 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)nc(=N)[nH]1 2356163513 GZUCGQOUSGSRTN-MSOLQXFVSA-N 396.451 0.102 0 50 GCAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20602711 GMJXJLAESVTGJZ-UHFFFAOYSA-N 378.410 0.265 0 50 GCAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2 65387325 SCZLALGVDKXOKC-MRXNPFEDSA-N 379.420 0.992 0 50 GCAA CN(C)C(=O)CNc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67803418 FTHQNGWOVNRIJW-UHFFFAOYSA-N 375.473 0.519 0 50 GCAA Cn1cc(CCCNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cn1 67846902 OMTNPBMKNJRUDQ-UHFFFAOYSA-N 384.483 0.737 0 50 GCAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)Cc1c[nH]c(=O)n(C)c1=O 77323738 JHKGDNCPXDVBSZ-UHFFFAOYSA-N 384.480 0.987 0 50 GCAA Cc1nc[nH]c1CN1CCN(C(=O)c2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 77517184 UXFFIMXJGIXTKU-KGLIPLIRSA-N 380.495 0.903 0 50 GCAA COc1ccc(CN2CCCOCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 95496806 QQCQXFIZNGJTII-IBGZPJMESA-N 393.528 0.905 0 50 GCAA CCN1CC2(CCN(c3cncc(C(=O)N4CCN(C)CC4)n3)CC2)CC1=O 95505798 LPWIJVZNOSGJKW-UHFFFAOYSA-N 386.500 0.703 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(N)nc1)CC2 95519646 AIZYOTTWWZLXFP-UHFFFAOYSA-N 384.440 0.550 0 50 GCAA CN(C)c1cnn(CC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(=O)c1 95531562 LJPHUXVTAIVYOM-HNNXBMFYSA-N 375.473 0.703 0 50 GCAA Cn1cc(C[C@@H](CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(N)=O)cn1 170601260 WDWXBTOTYISHAM-ZFWWWQNUSA-N 393.488 0.827 0 50 GCAA Cn1c(=O)c2cc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cnc2n(C)c1=O 363190273 HQJHJCZPSHOFEI-ZDUSSCGKSA-N 384.396 0.260 0 50 GCAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCN2C(=O)OC[C@H]2C1 366286951 CMNXKFRDFQYSHX-LLVKDONJSA-N 385.467 0.809 0 50 GCAA CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cccnn3)CC2)c1 441912644 QPVWKDGLNYBWRT-UHFFFAOYSA-N 393.444 0.780 0 50 GCAA CN(CCOc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 584899126 KXCGKXACILBKJH-OCCSQVGLSA-N 380.832 0.460 0 50 GCAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(=O)nc3sccn13)C2 1073414743 JCNHBDYOCWCYAH-NEPJUHHUSA-N 375.454 0.974 0 50 GCAA CO[C@@H]1C[C@H](C(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)CC[C@@H]1O 1704336179 UZMQFVJWDNMPJX-HYVNUMGLSA-N 384.498 0.956 0 50 GCAA O=C1NCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)c2occ3c2CCCC3)CC1 1775990060 CHHUNLLNVRLFEQ-HNNXBMFYSA-N 389.452 0.378 0 50 GCAA CCCc1cc(C(=O)N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)nn1C 1875301730 RIRJMZAFICKCTQ-UHFFFAOYSA-N 389.500 0.916 0 50 GCAA Cc1ccncc1CN1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 1875358799 KHPQLBLWBPSHIN-UHFFFAOYSA-N 378.454 0.979 0 50 GCAA O=C(Cc1cnc(O)nc1O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 2100556857 SMYYSYJRYYALRG-KXBFYZLASA-N 391.399 0.384 0 50 GCAA COC[C@H](CCNC(=O)c1ccc(N2CC34COCC3(COC4)C2)nn1)OC 2325825583 VXWFYDFSLYCWPT-YCMKEVRSSA-N 392.456 0.111 0 50 GCAA CC(C)=CCC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325877993 BAECHWZTFOSUOT-HUUCEWRRSA-N 384.498 0.246 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)NC[C@H]4CCCCCN4)ccc3C2=O)C(=O)N1 2325895563 DGVOPAIZONGUBI-NVXWUHKLSA-N 398.463 0.710 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)NC[C@H]4CCCCN4)cc3C2=O)C(=O)N1 2325897524 YOJVQVNNOYPCII-ZBFHGGJFSA-N 384.436 0.320 0 50 GCAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCO[C@@H](c4nnnn4C)C3)cc2n1 2356151407 HDZYZTFCKFDLNR-SNVBAGLBSA-N 396.333 0.794 0 50 GCAA 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 5760151 ABOLXXZAJIAUGR-WIUBSLGXSA-N 382.409 0.424 0 50 GCAA endogenous,world C[C@H](Cn1cncn1)C(=O)Nc1ccccc1C(=O)NCCN1CCOCC1 55369020 MBPZWGWAGYMHDX-OAHLLOKOSA-N 386.456 0.615 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CNCCN3CCOCC3)C2=O)c1 67850199 LAVXKPDIBDOUJO-FQEVSTJZSA-N 377.485 0.471 0 50 GCAA CN1C(=O)[C@](CC(=O)NC(CO)(CO)CO)(Cc2ccccc2)c2ccccc21 71752058 CESAPPHNDRLZBW-QFIPXVFZSA-N 398.459 0.366 0 50 GCAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1O 91964547 BMMJBDGPNGZDNP-UHFFFAOYSA-N 375.425 0.731 0 50 GCAA CNC(=O)c1noc(CNS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)n1 95385562 UQZCSEALVZMKDK-UHFFFAOYSA-N 381.414 0.046 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cs1 223097335 FIUAFBYLZHHANU-IUVQJJGASA-N 384.483 0.632 0 50 GCAA Cc1cc(N2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)nc(C)n1 237810737 XXCOFABQBUTSAL-UHFFFAOYSA-N 384.488 0.880 0 50 GCAA CCn1ncc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1C(=O)N1CCOCC1 239415435 UMBQYGUNYYKHTO-AAVRWANBSA-N 392.412 0.192 0 50 GCAA Cc1nccn1CCCN1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 247947780 IVKHTTVUMAASEH-MSOLQXFVSA-N 377.489 0.809 0 50 GCAA CC(C)n1cc([C@]2(O)CCN(C(=O)CN(C)c3ncnc4[nH]cnc34)C2)nn1 375403329 LONZOLKZQRVFLB-KRWDZBQOSA-N 385.432 0.082 0 50 GCAA O=C(NCCc1noc(C2CC2)n1)N1CCC(C(=O)N2CCOCC2)CC1 584900883 NHSHFYHKHPDCHS-UHFFFAOYSA-N 377.445 0.770 0 50 GCAA O=S(=O)(C1CC1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 894719242 NRRDGZWYOHMTPF-UHFFFAOYSA-N 399.480 0.884 0 50 GCAA O=C(CN1CCOC1=O)N1C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@]2(CO)C1 1772817009 ZYEITLPASAIVBC-UWJYYQICSA-N 385.464 0.359 0 50 GCAA COCC(=O)N[C@@H]1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1O 1857677170 YOQXVISQMIKFAG-SJORKVTESA-N 387.436 0.917 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)CC2=O)s1 1857718319 SRBJDXPZSYFFQN-YVECIDJPSA-N 380.470 0.657 0 50 GCAA COc1ccccc1CC(=O)N[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857722124 OZPAKIPUNKJDJR-IKGGRYGDSA-N 375.469 0.674 0 50 GCAA CN(C)S(=O)(=O)NCC[C@H]1COCCN1C(=O)c1nn(C)c2ccccc12 1857728440 BLOZTKKRQLAJLZ-ZDUSSCGKSA-N 395.485 0.200 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCCC2)CC[C@@H]1NC(=O)Cn1cccnc1=O 1875251392 FLBQFTCVNZKBQH-ULQDDVLXSA-N 390.484 0.946 0 50 GCAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 1875365064 LERVFWODVMHIKF-ZDUSSCGKSA-N 376.438 0.018 0 50 GCAA COc1cc(C)cnc1C(=O)N1CC2(C1)[C@@H](C(=O)N(C)C)CCS2(=O)=O 1875395340 BKNKMYRBGZMSAS-GFCCVEGCSA-N 381.454 0.116 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2100544959 CQOLDVGFEBXJIX-SFHVURJKSA-N 394.497 0.634 0 50 GCAA CCN1CCN(CC)CCN(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 2325765075 XWCMFLPFOHSWOU-UHFFFAOYSA-N 389.500 0.915 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN=c2cccc(-n3ccnc3)[nH]2)ncn1 2325785815 OPVNBEJYROBZTG-HUUCEWRRSA-N 380.456 0.597 0 50 GCAA CS(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1Cl 2325819184 ZGWCNFSIJWKJNM-ONGXEEELSA-N 385.829 0.171 0 50 GCAA Nc1nc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)nc(N2CCCCC2)n1 1085866 GTBVHDOQXFNKCS-UHFFFAOYSA-N 381.400 0.875 0 50 GCAA COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 1153356 MCKMGDRYKIIALG-HNNXBMFYSA-N 384.454 0.635 0 50 GCAA C[C@H](Cc1cnccn1)NC(=O)Nc1nnc(CCN2CCOCC2)s1 19111519 DXQJGZDBCHKVIP-GFCCVEGCSA-N 377.474 0.956 0 50 GCAA CN(C)CCNC(=O)c1ccc([C@H]2CCCN2C(=O)C2=NNC(=O)CC2)s1 19809899 JYPFASZHLPIECI-CYBMUJFWSA-N 391.497 0.969 0 50 GCAA Cc1nonc1OCCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 20451373 COIAABKVKCAADX-QGZVFWFLSA-N 392.456 0.619 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCCn2nc(-c3nc4ccccc4[nH]3)cc2C1 67756519 FWWITBKAPURHNY-UHFFFAOYSA-N 393.407 0.711 0 50 GCAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H](N)CO)CC1 67954958 DIUJTRPQKOUFTR-MRXNPFEDSA-N 385.468 0.353 0 50 GCAA NC(=O)NCCN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72129059 PJAAYDZILZONPJ-KRWDZBQOSA-N 389.500 0.666 0 50 GCAA COc1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)O 95391042 RMHISHPDEFEATR-LBPRGKRZSA-N 382.438 0.748 0 50 GCAA COc1ccc(CN2CCOCC2)cc1OC[C@H](O)CN1CCN(C)CC1 95520067 LOFICQFEZWNDGP-GOSISDBHSA-N 379.501 0.515 0 50 GCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)cc1 365842048 QGXOMQBEJRGQBN-GFCCVEGCSA-N 394.478 0.502 0 50 GCAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)C3CCCCC3)c2C1 408200650 BPAACBFEHUAJEX-CYBMUJFWSA-N 382.486 0.974 0 50 GCAA CCn1nc(CNC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c2ccccc21 534638463 XPRXNSWABABCCD-ZDUSSCGKSA-N 380.470 0.747 0 50 GCAA O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)cc1)N1CCCC1 908309617 VXWQVOHXJKVPFL-HUUCEWRRSA-N 392.474 0.565 0 50 GCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCc2n[nH]cc2C1 1319189058 CJFSSHXUBWBRRT-CYBMUJFWSA-N 387.465 0.978 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)Nc2cnn(Cc4ccccc4)c2)[C@@H]3C1=O 1529133265 HAWUBLIXAMHOSL-UGNRZPKXSA-N 395.463 0.835 0 50 GCAA CCCNc1ncc(CN2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)cn1 1565510524 KGZPLMCDWSSLFF-RDJZCZTQSA-N 383.518 0.517 0 50 GCAA CN1CCN(C(=O)c2cncc(N3C[C@@H](O)[C@H](Cc4ccncc4)C3)n2)CC1 1704300150 PJCYNHKVESMXDF-SJLPKXTDSA-N 382.468 0.299 0 50 GCAA Cc1ccc2oc(N3CCC(C(=O)NCCS(=O)(=O)N(C)C)CC3)nc2n1 1857719550 PIIAGWPJDYDCIK-UHFFFAOYSA-N 395.485 0.755 0 50 GCAA CNC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)C1 1875269251 PECVUHREBRVQDC-QLFBSQMISA-N 388.472 0.434 0 50 GCAA Cn1cc(-c2cc(NC(=O)CN3CCN(c4ccncc4)CC3)n(C)n2)cn1 2325805062 MUGQEVHZOUFHCT-UHFFFAOYSA-N 380.456 0.976 0 50 GCAA 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0.773 0 50 GCAA COC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@H]3CCOC[C@@H]32)s1 366335090 VHODLJZXOPBPPM-STQMWFEESA-N 390.483 0.825 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)cc1 376783253 SGHYDICQXSFIPZ-NSHDSACASA-N 380.451 0.460 0 50 GCAA CC(=O)N1CC[C@H](CN(C)c2ncnc3c2ncn3C[C@H](O)[C@H]2CCCO2)C1 888097794 ORDBNFVMYZXLKY-OWCLPIDISA-N 388.472 0.671 0 50 GCAA Nc1nc(N2CCC3(CC2)CN(CCCn2cccn2)CCO3)cc2nncn12 1506405089 UVTSITZOHZWFGW-UHFFFAOYSA-N 397.487 0.665 0 50 GCAA CC(C)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)O)c2)C[C@@H]1CCO 1506416109 HQOQLJOLYKVZKJ-ZDUSSCGKSA-N 386.470 0.804 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 1529166880 BYOMZIRREPYOTE-RTRLTSMRSA-N 378.425 0.896 0 50 GCAA O=C(Cn1ncnn1)N1C[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@]2(CO)C1 1772811636 WGWKBDWTUJKBMK-OXJNMPFZSA-N 393.451 0.174 0 50 GCAA CCn1cc(CN2CCC3(CC2)CC(=O)N(CC(=O)N(C)C)CCO3)cn1 1857670659 DIRBZKYGMYYNAA-UHFFFAOYSA-N 377.489 0.575 0 50 GCAA CCc1nc(CC(=O)N2CC3(C2)[C@H](C(=O)N(C)C)CCS3(=O)=O)cs1 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Nc1n[nH]c(SCC(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)n1 828003581 PLAWSNGJWWWGBM-SEGBCRLWSA-N 375.462 0.330 0 50 GCAA NC(=O)CN1CCC(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1 913041594 UYMHBVPQMDJNHU-UHFFFAOYSA-N 382.411 0.481 0 50 GCAA CC1(C)COc2c(S(=O)(=O)N3CCC[C@H](N4CCNC4=O)C3)cnn2C1 913970344 WPLGVTFCFXOJPE-LBPRGKRZSA-N 383.474 0.480 0 50 GCAA O=C(NCC1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccco1 952980007 VOUOVXVWEVEJLZ-ZDUSSCGKSA-N 390.483 0.238 0 50 GCAA CC(=O)N1CCO[C@]2(CCN(Cc3nc(=N)[nH]c(=Nc4cccc(C)c4)[nH]3)C2)C1 1857687249 MVGYMIFSYREWLU-FQEVSTJZSA-N 397.483 0.581 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCn2cc(C)nn2)C[C@H]1NC(=O)c1cncn1C 1875244545 NIJMRDUUUJCESC-SQWLQELKSA-N 389.460 0.050 0 50 GCAA CC1(C(=O)N=[S@](C)(=O)c2cnn3c2CN(C(=O)[C@H]2CCC(=O)O2)CC3)CC1 2325784820 MCNLIVYGEDHXJY-KHXSAUHESA-N 394.453 0.714 0 50 GCAA Cn1nc([C@@H]2C[C@H]2C(=O)OC[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21 2325790899 UOMGUTPAYACRCE-NYTXWWLZSA-N 382.420 0.709 0 50 GCAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cnsn3)C2)CCC1=O 2325864268 KVISJHLIJYGKTQ-STQMWFEESA-N 379.486 0.908 0 50 GCAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1c[nH]nc1-n1cnnn1 2356153777 UVINTVCRPBCISU-CXAGYDPISA-N 390.407 0.921 0 50 GCAA COc1ccccc1[C@@H]1CCCN1C(=O)Cn1nnnc1CN1CCOCC1 19839848 DKBLWUMFDDJQGO-INIZCTEOSA-N 386.456 0.878 0 50 GCAA NC(=O)c1noc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 71775736 YDRQXMKXZCIMSV-GFCCVEGCSA-N 376.461 0.124 0 50 GCAA CCN1CCN(CCN2CC3(CCN(C[C@H]4CCCNC4)CC3)OC2=O)CC1 72438038 FQSWJYJMLVYGSQ-IBGZPJMESA-N 393.576 0.910 0 50 GCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1ccc(C)n1)CC2 95384328 ZXCXNXLLQQEASS-UHFFFAOYSA-N 383.456 0.844 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncccc1C(N)=O)CC2 95518764 AOHAUXODAWQEEN-UHFFFAOYSA-N 384.440 0.430 0 50 GCAA COCCn1c(CN2CCC3(CC2)CC(=O)NC(=O)C3)nnc1[C@H]1C[C@@H](N)C1 244719017 LVEBJAFSRPVQMQ-OKILXGFUSA-N 390.488 0.148 0 50 GCAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)Cn2ccc(C(F)(F)F)n2)cn1 282430856 RQXVIJORWVDOGJ-SSINHNECSA-N 375.376 0.968 0 50 GCAA O=C1CC[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)N1 1775980851 CYSDYZPTZOUFLG-CYBMUJFWSA-N 385.873 0.842 0 50 GCAA CN(Cc1ccc(Cn2ccnc2)cc1)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 1875281717 RVLXPXBGTUZMMJ-UHFFFAOYSA-N 393.451 0.837 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNS(=O)(=O)Cc2ccccc2)ncn1 1875399935 MIVJTCDNDQPVPL-HZPDHXFCSA-N 391.497 0.602 0 50 GCAA Cc1nonc1CC(=O)N1CCc2c(ncn2C)[C@@]12CCN(C(=O)C1CCC1)C2 2325776856 FKSZETQXKDJIHW-FQEVSTJZSA-N 398.467 0.967 0 50 GCAA CCn1nccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 6635231 VBZRGHCAAUSNCU-KBPBESRZSA-N 394.501 0.915 0 50 GCAA CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 12405570 VVHDYJFDZYHAMR-QCUYGVNKSA-N 398.423 0.194 0 50 GCAA in-vitro Cc1cccc(CN2CCN3C(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)n1 14538572 JUGCEKYQCKGCTF-RTBURBONSA-N 380.448 0.850 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3ocnc3C)C2)nn(CCN(C)C)c1=O 71279042 GAJCQTBFZKQOGX-AWEZNQCLSA-N 376.461 0.943 0 50 GCAA C[C@H]1C[C@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 72116007 CVMVXEUBVPXVOQ-HOTGVXAUSA-N 388.578 0.989 0 50 GCAA O=C(CCn1cnnn1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91417019 BOOJZHPCMQAZBW-UHFFFAOYSA-N 397.483 0.932 0 50 GCAA COCCN1CC[C@@]2(CCC1=O)CN(CC(=O)N1CCCCC1)CCN2C 95362490 WXPMCQIDTHMOQZ-FQEVSTJZSA-N 380.533 0.644 0 50 GCAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2n[nH]c(N)n2)c1 95523430 CKHSRKZSNAGVEJ-UHFFFAOYSA-N 388.428 0.715 0 50 GCAA COc1ccc([C@H](O)C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1 215896509 VRQMDEDNVKAYJO-KRWDZBQOSA-N 377.441 0.761 0 50 GCAA Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@H]3CS(=O)(=O)C[C@H]3O)C2)cc1 242302141 YPVYBFLEBGMAGZ-BHYGNILZSA-N 381.498 0.986 0 50 GCAA CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n1 266109254 OYVILPCYGMUUIR-HNNXBMFYSA-N 384.440 0.539 0 50 GCAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(Cl)cnc3N)C2=O)n(C)n1 269755329 FAQQOMOAAGMFFX-LLVKDONJSA-N 398.876 0.833 0 50 GCAA CC1(C)C[C@H](NC(=O)[C@@H]2COCCO2)C[C@@](C)(CNC(=O)[C@H]2COCCO2)C1 332768460 JJMUUBCMELRDPQ-KSVNGYGVSA-N 398.500 0.635 0 50 GCAA C[C@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CCS(=O)(=O)C1 1321966586 QLRQSBCXLPAECK-APPDUMDISA-N 379.438 0.248 0 50 GCAA Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@]2(CN(C)C)C1 1772709292 FEIQQMRNSWXMMV-OXQOHEQNSA-N 397.483 0.593 0 50 GCAA COCCC1(NC(=O)[C@H](C)CSC)CCN(C(=O)[C@@H]2COCCO2)CC1 1775989153 FMSJBBRJTVANQQ-CABCVRRESA-N 388.530 0.915 0 50 GCAA N=c1ccnc(N2CCC3(CC2)OCCc2sc(C(=O)NCCO)cc23)[nH]1 1857682302 UZEMTJJCUPMHEU-UHFFFAOYSA-N 389.481 0.741 0 50 GCAA COc1ccc(CC(=O)N[C@@H]2CN(C3CCOCC3)CC[C@@H]2O)c(OC)c1 1857709187 JOTTUUPMRQOSRT-MSOLQXFVSA-N 378.469 0.977 0 50 GCAA O=C([C@H]1C[C@@H](O)C1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857729801 HACMLLBTFJFOSC-LAPQFRIASA-N 388.468 0.596 0 50 GCAA COCc1cc(C(=O)N2CCN(C(=O)c3[nH]c(C)cc3C)C[C@H](O)C2)on1 2325878101 DOMDQQXHYXZAEJ-CQSZACIVSA-N 376.413 0.725 0 50 GCAA Cc1cncc(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325895476 BIFHXBMIXSYDCA-INIZCTEOSA-N 393.403 0.476 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccnc2)c1 12315824 GAXGAFATNGOYRE-SFHVURJKSA-N 385.468 0.789 0 50 GCAA Cn1ncc(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)cc1=O 20205340 WAZZPDOQKMMOQQ-SFHVURJKSA-N 381.480 0.918 0 50 GCAA O=Cc1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)O)cc1 71257138 BRYBRKJZWQVXNZ-UHFFFAOYSA-N 397.424 0.770 0 50 GCAA in-vitro Cc1cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc(N)n1 71714530 SSFRSYBKAOGRAH-INIZCTEOSA-N 388.516 0.907 0 50 GCAA O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc2n(n1)CCO2 291189028 FFYITRIDLBNLNJ-UHFFFAOYSA-N 380.401 0.885 0 50 GCAA CN(C)c1nc(CN(C[C@@H]2C[C@H](F)CN2CC(=N)O)S(C)(=O)=O)ns1 328603616 GSXQOKDRBPNVRV-UWVGGRQHSA-N 394.498 0.313 0 50 GCAA O=C(Cn1cc(C[C@@H]2N=C(O)N=C2O)nn1)N1CCN(C2CCCCC2)CC1 328615174 XZFLLXYOUNUXST-HNNXBMFYSA-N 389.460 0.550 0 50 GCAA O=C([C@@H]1COCCN1C1CCCC1)N1CCC(N2CCS(=O)(=O)CC2)CC1 365150297 JIAQDRKLTZJYSU-SFHVURJKSA-N 399.557 0.351 0 50 GCAA CCCCn1c(N)c(N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)c(O)nc1=O 368258134 FVUCOFCQVVCRGV-OUCADQQQSA-N 380.445 0.736 0 50 GCAA COc1ccc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 1073280158 KFEFJVFNGYQTPF-SJORKVTESA-N 381.498 0.968 0 50 GCAA Cc1ccccc1-n1cc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cn1 1529105655 GKAYJZPDBXRMQA-WMZOPIPTSA-N 378.498 0.865 0 50 GCAA O=C(Cn1ncnn1)N1C[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@]2(CO)C1 1772811635 WGWKBDWTUJKBMK-JXFKEZNVSA-N 393.451 0.174 0 50 GCAA O=C(CN1CCOC1=O)N1CCCN(CCn2c(=O)oc3ccccc32)CC1 1775980969 MNSNYPHUAONUNL-UHFFFAOYSA-N 388.424 0.581 0 50 GCAA CS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@H]1CN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]12 1857677405 AHUPPSJRMDPUOT-TVRNETQVSA-N 378.450 0.707 0 50 GCAA CC(C)=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CNS(C)(=O)=O)C2)C1 1857685782 TYVHTTNGENXZRF-SJLPKXTDSA-N 387.546 0.567 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ccc3c(c2)CCCO3)C1 1857687646 XUIYTZKRBVIYDL-VQIMIIECSA-N 394.493 0.926 0 50 GCAA Cc1cc(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)n(C)n1 1857691682 WJKNNPISGVJFOR-HOCLYGCPSA-N 382.490 0.154 0 50 GCAA NC(=O)Cc1nc([C@H]2CC[C@H]3OCCN[C@@H]3C2)n(-c2nc3ccccc3[nH]2)n1 1857715752 GKVONMIMAHLPFF-NILFDRSVSA-N 381.440 0.796 0 50 GCAA COc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3C[C@H](N)[C@@H](O)C3)CC2)cc1 1857719493 NAXXEIQOPLWCKL-SZMVWBNQSA-N 375.469 0.648 0 50 GCAA CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1875305808 IUTMSOMCHVQFJW-HSOHIQCKSA-N 398.485 0.791 0 50 GCAA CC(=O)N1CC2(C1)[C@H](C(=O)N1CCN(C)c3ccccc3C1)CCS2(=O)=O 1875393067 FKDZLYFZWCPJEI-INIZCTEOSA-N 391.493 0.501 0 50 GCAA COCCN1CCC[C@]2(CCCN2C(=O)Cc2c(C)nc(C)nc2O)C1=O 2100483059 OZPKZAYAWCIKCE-IBGZPJMESA-N 376.457 0.972 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCc2noc(C3CC3)n2)CC[C@H]1NC(=O)CO 2100534374 FPEIOKYPNQNYRT-BFHYXJOUSA-N 380.445 0.636 0 50 GCAA C[C@H]1CCCN1C(=O)COc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325893120 UTGPZWSLKCBZHD-WFASDCNBSA-N 385.420 0.837 0 50 GCAA Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 3806644 JQBKWZPHJOEQAO-DVPVEWDBSA-N 397.405 0.887 0 50 GCAA investigational COc1nc2c(cc1CNC(=O)Cn1nnnc1C)C(=O)N(C1CCCC1)C2 71747364 KXOSEFAOSOJTCT-UHFFFAOYSA-N 385.428 0.600 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NC(CO)CO 72134641 IYABEGAMCWLXEM-HXUWFJFHSA-N 397.475 0.514 0 50 GCAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cnc(O)cc3O)C2)CC1 72173771 DQTFLVORNZDWOH-CYBMUJFWSA-N 378.429 0.872 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)CCc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 77454042 BIBZFISLEDGRTH-LSDHHAIUSA-N 380.470 0.006 0 50 GCAA Cn1ccnc1CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)CC1 95365474 AWOXXBUGDMWFIK-KRWDZBQOSA-N 382.468 0.508 0 50 GCAA Cc1cccn2c(=O)cc(CN3CCC4(CC3)[C@H](C(=O)O)CC(=O)N4C)nc12 95369954 QQFDVOOCNXFKIB-HNNXBMFYSA-N 384.436 0.900 0 50 GCAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1cc(-n2cnnc2)ccc1F 95519557 FBCKLNYQBLLNQC-UHFFFAOYSA-N 382.421 0.954 0 50 GCAA Cc1nc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n(C(C)C)n1 96166569 BPESJJSSYGEMIS-UHFFFAOYSA-N 378.414 0.176 0 50 GCAA O=C(c1cc(COc2ccccc2)[nH]n1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 247832209 LJFBNSNNOUILCL-CVEARBPZSA-N 376.438 0.200 0 50 GCAA O=C(NC[C@H]1COCCO1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 299763532 XLYGMNQOLSFKFM-INIZCTEOSA-N 379.413 0.461 0 50 GCAA O=C(NCc1cn2ccsc2n1)N1CCN(S(=O)(=O)N2CCCC2)CC1 426538067 ITMXTNNPIUUBLN-UHFFFAOYSA-N 398.514 0.564 0 50 GCAA C[C@@H](Oc1ccccc1CN1CCN(S(=O)(=O)N2CCCC2)CC1)C(=O)O 828445711 YRKUYNAKQCKVGG-OAHLLOKOSA-N 397.497 0.997 0 50 GCAA C=CC(=O)NCc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1 1468852789 IOHQSAIJOVNNHO-HZPDHXFCSA-N 378.450 0.517 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3OC)C[C@]2(CN(C)C)C1 1772700480 BSBSTYPFXGTDDJ-LAUBAEHRSA-N 389.496 0.733 0 50 GCAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCS(=O)(=O)CC1 1772805636 NKBNGHUNRDNCSI-GFCCVEGCSA-N 385.511 0.342 0 50 GCAA CCN(CC(=O)N1CCC[C@@]2(C1)CN(C(=O)C(N)=O)CCO2)c1ccccc1 1775997412 GZAJWRBCHJIDCQ-HXUWFJFHSA-N 388.468 0.218 0 50 GCAA COC(=O)[C@H](C)CN(C)c1ncnc2c1ncn2C[C@H](CO)[C@H]1CCOC1 1857532782 VHAFFEDVQKKUDW-HZSPNIEDSA-N 377.445 0.717 0 50 GCAA Cc1nc(CN2CCOC3(CCN(CCN4CCCC4=O)CC3)CC2=O)no1 1857684260 FQXDGDZWDKOQGN-UHFFFAOYSA-N 391.472 0.584 0 50 GCAA CN1CCC[C@H](c2nc(-c3cn4c(n3)CCNCC4)n(-c3ccnn3C)n2)C1 1857720965 SJJHYJMGPLFMLN-AWEZNQCLSA-N 381.488 0.819 0 50 GCAA O=C(N[C@H]1C(=O)NCC12CCNCC2)c1ccn(-c2cc(F)ccc2F)n1 1875301148 BKTWTOHUGOQLRM-HNNXBMFYSA-N 375.379 0.749 0 50 GCAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)C1 1875371364 YCLQXTWQQZCTGC-CYBMUJFWSA-N 378.454 0.616 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCCc2cc[nH]n2)C[C@@H]1O)c1cn2ccccc2n1 2100556896 UYNUMRNHWXYKCC-NOLJZWGESA-N 382.424 0.286 0 50 GCAA COc1cc(CN(C)C(=O)C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)ccc1SC 2325789157 YZFHKEKQCXCTSR-STQMWFEESA-N 377.466 0.865 0 50 GCAA CC1(NC(=O)Cc2nc(=N)[nH][nH]2)CN(C(=O)CCc2cccc(F)c2Cl)C1 2325869424 MVMBFKCLNVNQKZ-UHFFFAOYSA-N 394.838 0.902 0 50 GCAA O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 4951492 HFPSWGITTOBNAO-UHFFFAOYSA-N 390.436 0.955 0 50 GCAA CC(=O)NC[C@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 11841222 BQCHSOWYMKBOFK-GFCCVEGCSA-N 377.474 0.919 0 50 GCAA Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](C(C)C)NC(=O)[C@H]3C2)c1 14742101 SAVZIRISLKBKED-ZBFHGGJFSA-N 379.482 0.659 0 50 GCAA CCN1CCC[C@H](CN(C)C(=O)CCn2nnnc2CN2CCOCC2)C1 19335273 RTDYDOXJEZUALS-MRXNPFEDSA-N 379.509 0.086 0 50 GCAA Cc1ncsc1C(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67675853 JLQHZCCKLFLKPL-UONOGXRCSA-N 380.470 0.819 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCC(O)CC1)CO2 71761334 MIILOIBMAGTNLG-OAHLLOKOSA-N 391.468 0.633 0 50 GCAA COCCN1CCN(C(=O)CN(C)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 91595448 WWKDFRYSYYQIPV-SJORKVTESA-N 381.498 0.079 0 50 GCAA O=C1CNC(=O)N1CC(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95390576 MXBZXCZHRBWNFN-WMLDXEAASA-N 382.464 0.628 0 50 GCAA O=C(c1ccc(F)c(Cl)c1)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95391325 RMVYHSAXWXUZBK-KGLIPLIRSA-N 376.837 0.395 0 50 GCAA O=C1CC[C@H](C(=O)N2CCOC3(CCN(CCc4ccc(O)cc4)CC3)C2)N1 952868502 QQWGCANRDZXCDM-GOSISDBHSA-N 387.480 0.907 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccccc1N1CCOCC1 1704324640 CDEIRXRWDNHSHI-GOEBONIOSA-N 397.497 0.159 0 50 GCAA CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)no1 1857691161 XDKZDVNOTOTWRJ-OLZOCXBDSA-N 375.433 0.890 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCn4nc(C)cc4C3)CC2=O)s1 1857739360 OWXOCXMCBNLMPH-LBPRGKRZSA-N 390.469 0.975 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@]2(CCN(C(=O)c3csc(=N)[nH]3)C2)c2ccccc21 2100539390 GMGFFSRLWHHFGB-IBGZPJMESA-N 399.476 0.774 0 50 GCAA COc1cc(-c2cc(=NC(=O)[C@@H]3CCS(=O)(=O)C3)[nH][nH]2)cc(OC)c1OC 2356165419 HQGXSGCKAWFXKU-SNVBAGLBSA-N 395.437 0.898 0 50 GCAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 970250 LHVYMXGBVNXXCN-LBPRGKRZSA-N 382.467 0.703 0 50 GCAA CO[C@H]1CN(C(=O)CSc2nncn2C)CC(=O)N(Cc2ccccc2)C1 14530472 RXVCDRLPZFTHMD-OAHLLOKOSA-N 389.481 0.793 0 50 GCAA C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C1=O 14755842 SDZBTFHVPRVXOH-YJRXYDGGSA-N 385.342 0.284 0 50 GCAA CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C 72164835 FNTJKHRESLEFCZ-QGZVFWFLSA-N 377.485 0.843 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)CN3C[C@@H]4CC[C@H]3C4)cc2C1 91574264 QVDUXPLXPYHFGH-HIFRSBDPSA-N 381.502 0.149 0 50 GCAA COCCN1C[C@@H]2CN(C(=O)c3cc(OC)cc(OC)c3)C[C@]2(C(=O)O)C1 96153661 SIAVFLIWWUDUHY-AUUYWEPGSA-N 378.425 0.809 0 50 GCAA CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCN(c2ccccc2)C1=O 115504273 CCJJPNDMTCRHNF-HNNXBMFYSA-N 380.408 0.545 0 50 GCAA CNC1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)CC1 215489487 KWUBAQRXGCYJQL-AWEZNQCLSA-N 381.498 0.825 0 50 GCAA CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccc(Cl)cc1Cl 245231363 CIHDSPCYFDFWRF-QKGCVVFFSA-N 380.224 0.454 0 50 GCAA O=C1N[C@H](CC(=O)N2CCN(Cc3cccnc3)CC2)C(=O)Nc2ccccc21 253407495 JXMTUGAJNAALKR-GOSISDBHSA-N 393.447 0.867 0 50 GCAA biogenic CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC(=O)O)C2CCOCC2)c1 328594823 CHPNFVKJVCUPMX-UHFFFAOYSA-N 390.845 0.954 0 50 GCAA CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cnn(C)c2C)cn1 330211254 IZVCNONYPOBFND-ZDUSSCGKSA-N 387.487 0.105 0 50 GCAA CCc1noc(CNC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)n1 426413028 UCSFXRVSUREWBU-UHFFFAOYSA-N 386.478 0.190 0 50 GCAA Cc1cncc(N2CCOC3(CCN(C(=O)c4ccc(=O)n(C)c4)CC3)C2)n1 952966194 DTJINDYVQCUZFK-UHFFFAOYSA-N 383.452 0.995 0 50 GCAA CC(C)CN1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C[C@@H]1CCO 952977344 QFQLGMJCLVAWGP-AWEZNQCLSA-N 397.497 0.845 0 50 GCAA Cc1ccc(OCCN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c(C)c1 1565517083 HFWYMYCQSKQKSZ-YJBOKZPZSA-N 382.482 0.960 0 50 GCAA Cn1c(N2CC[C@@H](NC(=O)c3c[nH]cc3Br)C2)cc(=O)n(C)c1=O 1857531264 AMGYBHGQQKXEPE-SECBINFHSA-N 396.245 0.183 0 50 GCAA COC1(C(=O)NCCN2CCCC2)CCN(C(=O)c2nsnc2C)CC1 1857701774 OVXCYCCUIWFIFT-UHFFFAOYSA-N 381.502 0.680 0 50 GCAA CCC[C@H]1COC[C@H]2CN(S(=O)(=O)c3ccc(O)c(C(=O)O)c3)CCN12 1857715334 MZWUTXNWQOWAAI-QWHCGFSZSA-N 384.454 0.964 0 50 GCAA Cc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCCn3ccnn3)CC[C@H]2O)n1 1875244242 OHTJJMXPEAITLP-USXIJHARSA-N 386.456 0.447 0 50 GCAA CN(CCc1cnn(C)c1)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CC(N)=O)C[C@@H]2O 2100540317 ICOXUEVNZNOJRR-NPDDRXJXSA-N 397.523 0.456 0 50 GCAA O=C1NCCN1CCn1cc(NS(=O)(=O)c2cccc3nsnc23)cn1 2325699946 SHQGALXWBLYIDT-UHFFFAOYSA-N 393.454 0.714 0 50 GCAA Nc1ncnc2c1ncn2CCCOc1ccccc1C(=O)N1CCNCC1 2325854225 STUQXRDMNOCRJC-UHFFFAOYSA-N 381.440 0.923 0 50 GCAA CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 4839882 OCSKZRQMCMLXBP-CYBMUJFWSA-N 381.429 0.983 0 50 GCAA Cc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c1 20783493 FOOQGTUFUUSHIS-INIZCTEOSA-N 382.468 0.540 0 50 GCAA COC[C@@H](C)NC(=O)C1CCN(C(=O)CCn2c(C)cc(C)nc2=O)CC1 55270786 NJJKINFXOHQKFF-CQSZACIVSA-N 378.473 0.640 0 50 GCAA COC(=O)c1cc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)ccc1O 65466344 IUROPEQMXXVZRP-LLVKDONJSA-N 399.407 0.862 0 50 GCAA CC(C)CC(=O)N1CCN(C(=O)CCc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 72458703 DPSPCLNURNBFHC-DLBZAZTESA-N 393.509 0.897 0 50 GCAA CC(C)CCC(=O)N1CCN(C(=O)c2cccnn2)[C@H]2CS(=O)(=O)C[C@H]21 82114510 SLVNVZATKHKXGF-CABCVRRESA-N 380.470 0.363 0 50 GCAA Cc1ccnn1CCC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 95502811 CWQGLRVKRMOSRF-MSOLQXFVSA-N 391.516 0.911 0 50 GCAA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@H]1CCS(=O)(=O)C1 218298494 KRSKRNCKUQYFGX-NSHDSACASA-N 385.467 0.316 0 50 GCAA COC(=O)c1cn(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc2c(=O)[nH]nc1-2 253413610 VFQIKVKSKFNSGY-SFHVURJKSA-N 381.348 0.507 0 50 GCAA Cc1cc2c(N3CCC([C@@H](O)c4cn(C)c(=O)n(C)c4=O)CC3)nccn2n1 372486020 GSSYILHEUBHIDA-MRXNPFEDSA-N 384.440 0.385 0 50 GCAA COCCN1CCC(CN(C)S(=O)(=O)N2CCC(COC)CC2)CC1 952989364 WNRLGSJSMMJQET-UHFFFAOYSA-N 377.551 0.880 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCCCn2ccnn2)C[C@@H]1O)c1c(F)cccc1F 1875243146 SKTBAHNASZFPSF-CQDKDKBSSA-N 393.394 0.632 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3ccc(-n4ccnn4)cc3)C2)cc[nH]1 1875398049 YTSQBRQGTQBIDA-SJORKVTESA-N 380.456 0.514 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccccc3F)[C@H]2SC1 6318087 YTGHOZCLARAFPJ-MLGOLLRUSA-N 394.380 0.741 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)ccc1N1CCOCC1 15913861 YKHFTVGMUASMLP-OKILXGFUSA-N 397.497 0.681 0 50 GCAA O=C(Nc1ccccc1)C(=O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77523752 KSPYXXQJZYULDK-CVEARBPZSA-N 377.466 0.345 0 50 GCAA COc1ccc(CCN2C[C@H](C(=O)NCCc3n[nH]c(=O)[nH]3)CCC2=O)cc1 91474060 KKVKTVMRZNQATF-CQSZACIVSA-N 387.440 0.247 0 50 GCAA CO[C@@]1(C)O[C@@H]2[C@H](O[C@@]1(C)OC)[C@@H](OCc1ccccc1)O[C@H](CO)[C@H]2O 95495842 SXIYCPDFMXIYFL-QFEFJCPZSA-N 384.425 0.791 0 50 GCAA CNc1nc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)ncc1F 95497474 WRKRRQYCQRJBQP-UHFFFAOYSA-N 389.435 0.907 0 50 GCAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCCN2CCCCC2=O)C1 95525104 OZNAFNUKGKVJOO-HNNXBMFYSA-N 375.473 0.867 0 50 GCAA O=C(O)[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 225486631 NKJLOMHSOXEHKC-CQSZACIVSA-N 383.426 0.788 0 50 GCAA Cc1cc(NC(=O)CN(C)C(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)no1 252498720 RJJRNQZKRWRWLZ-NWDGAFQWSA-N 382.417 0.750 0 50 GCAA C[C@@H]1OCC[C@@]12CN(C(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](C)O2 447981943 HNCXDEPLADKSLS-DVOMOZLQSA-N 375.491 0.388 0 50 GCAA COCC[C@@H]1COCCN1c1ncnc2c1ncn2C[C@@]1(O)CCO[C@H]1C 888098100 ZOGAZLJUKNYUMB-IYOUNJFTSA-N 377.445 0.608 0 50 GCAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCn2cncn2)CC1 1506422226 PSUABSOZHLDNOJ-UHFFFAOYSA-N 379.486 0.910 0 50 GCAA CN1CC[C@]2(C(=O)N3CCOCC3)CCCN(C(=O)c3cncn3C)[C@H]2C1 1775980465 YBVASGJWAHWQOZ-QFBILLFUSA-N 375.473 0.205 0 50 GCAA CC(C)=CC(=O)N1CCN([C@H]2CCCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C(=O)C1 1775989777 RSIPBGLTZILQJA-HOTGVXAUSA-N 390.484 0.283 0 50 GCAA COc1ccc(F)cc1C(=O)N1CCC([C@H](O)CN2CCCNC(=O)C2)CC1 1857709316 QRGHZOCBDJTUAK-QGZVFWFLSA-N 393.459 0.869 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cc4c(nc3OC)CCC4)CCO2)n1 1857716937 HEQTVHMNOVYEQC-OAHLLOKOSA-N 388.428 0.426 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)NCCn3c(C)cc(C)nc3=O)CC2=O)s1 1857723473 HVRCPYZQUHNFOT-GFCCVEGCSA-N 390.469 0.443 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N=c1nc2nccc(C3CC3)n2[nH]1 2100473149 ARRHOTPGFPHTFH-UHFFFAOYSA-N 393.455 0.526 0 50 GCAA CCc1n[nH]cc1C(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325887170 XAXYBABEMPZWGP-MRXNPFEDSA-N 395.419 0.663 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(C)cn23)n(C)c1=O 8654390 ABPMLMXDECLGHM-UHFFFAOYSA-N 395.419 0.874 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCN3CCNCC3)C2=O)c1 67834281 LCNUIEDYKXYYHY-HXUWFJFHSA-N 394.491 0.183 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCS(=O)(=O)CC3)C2=O)c1 67983503 FYXINGHULXYVBL-GOSISDBHSA-N 382.482 0.279 0 50 GCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cnc(-c3cccnc3)nc1)C2 72154262 DXJBILGNVXBIKA-UHFFFAOYSA-N 377.408 0.886 0 50 GCAA COc1ccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772597 HWSNKQUUDZJSHI-UHFFFAOYSA-N 381.410 0.133 0 50 GCAA COc1ccc(CC(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)cc1 299781466 WDWMJOCMPGQTKL-UHFFFAOYSA-N 378.454 0.526 0 50 GCAA Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCn4c(O)nnc4C3)cc12 333451319 NQWQPBWJLJODDS-VIFPVBQESA-N 389.441 0.401 0 50 GCAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O)c(Br)c2)CC(=O)N1 414337444 QGYNWJOQFRYRTP-ZETCQYMHSA-N 377.216 0.656 0 50 GCAA Cc1nccc(N2CCC3(CC2)CN(C(=O)[C@H](C)N2CCCC2=O)CCO3)n1 952972203 VBODBOLHSLREII-HNNXBMFYSA-N 387.484 0.994 0 50 GCAA C=CC(=O)NCc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1 1468852790 IOHQSAIJOVNNHO-JKSUJKDBSA-N 378.450 0.517 0 50 GCAA Cc1nc(N2CCNC(=O)C2)c2c(n1)C1(CC2)CCN(C(=O)[C@@H]2CCOC2)CC1 1857683724 WDQUEDOSASGBHO-OAHLLOKOSA-N 399.495 0.564 0 50 GCAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCO[C@@]2(CCN(CCO)C2)C1 1857703679 WBDWLIJVMPSNIF-LJQANCHMSA-N 396.871 0.949 0 50 GCAA C/C(=C\C(=O)N[C@H](C)C1(O)CN(C(=O)CO[C@@H]2CCOC2)C1)c1ccccc1 1875344176 GTQBRLAWDYXSEK-XPQPCJHHSA-N 388.464 0.973 0 50 GCAA Cn1c(CNC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)cc(=O)n(C)c1=O 1875365388 QFBPXALVGQKYBI-HXUWFJFHSA-N 384.436 0.395 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)N4CCC[C@H](C(=O)O)C4)cccc3C2=O)C(=O)N1 2325897570 ZIXTZCGMDKQEOD-XHDPSFHLSA-N 399.403 0.384 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(O)CC2)cc1 12028956 KCNQPYAITQFNQL-GOSISDBHSA-N 375.469 0.759 0 50 GCAA CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 20819286 JQEXUQLNIBURSK-UHFFFAOYSA-N 382.530 0.840 0 50 GCAA COCC(=O)N1CCn2nc(CN3CCN(C(=O)c4ccco4)CC3)cc2C1 72440064 YSCLENQFAAFETR-UHFFFAOYSA-N 387.440 0.423 0 50 GCAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)c1c[nH]nc1-n1cnnn1 91830776 VGENBSACBUNUSQ-CYBMUJFWSA-N 376.384 0.774 0 50 GCAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)CN2CC(=O)NC2=O)C3)cc1 95384962 FIHHYIQXVDVTRU-JKSUJKDBSA-N 386.452 0.670 0 50 GCAA O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 95388813 WLYRTGNRKTYKRB-HNNXBMFYSA-N 378.454 0.770 0 50 GCAA Cc1nc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1 97759285 FXDIJRPXNZRNKI-UHFFFAOYSA-N 380.426 0.671 0 50 GCAA NS(=O)(=O)[C@H]1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1 170609781 NQNOOUISXWWSCJ-HNNXBMFYSA-N 377.470 0.698 0 50 GCAA O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCN2C(=O)N=C(O)[C@H]2C1 329414828 FESYFJAORJAECC-TVQRCGJNSA-N 378.335 0.921 0 50 GCAA CC(=O)N1CCN(C(=O)[C@H](C)N2C(=O)C[C@]3(CCc4ccccc43)C2=O)CC1 329688721 AYURFIJULSXWPJ-QKKBWIMNSA-N 383.448 0.709 0 50 GCAA Cn1nnnc1SCCNC(=O)C1CCN(C(=O)c2ccccn2)CC1 670470270 YTUUGBNNOJSMSU-UHFFFAOYSA-N 375.458 0.366 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2-n2cccn2)C[C@@H]1O 1565510383 CDBQWVOBNRIMCV-RDJZCZTQSA-N 379.486 0.204 0 50 GCAA Cn1ccc(C(=O)N2CC[C@@](C)(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)c1 1775989338 KZOVQENGKQAEGY-IAGOWNOFSA-N 382.486 0.218 0 50 GCAA N=c1[nH]c(N2CC[C@H](O)[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)ncc1F 1857667482 DKSMXXCCLPHPLG-OLZOCXBDSA-N 389.387 0.055 0 50 GCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(c1n[nH]c(=N)s1)CC2 1857678412 XRFSTDUJIMVKPZ-UHFFFAOYSA-N 376.490 0.330 0 50 GCAA Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cc(C)c(O)nc3=O)C2)n1 1857684648 WOMKQMUDSHPKQY-HUUCEWRRSA-N 399.451 0.818 0 50 GCAA O=C(CN1CCOCC1)N[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1O 1857696917 QTGJCTLECZMREZ-MOPGFXCFSA-N 395.475 0.478 0 50 GCAA C[C@H]1OC2(CCN(C(=O)NC[C@@]3(c4cnn(C)c4)CCCO3)CC2)NC1=O 1875392200 ZXHQNOZVZZMDDO-CXAGYDPISA-N 377.445 0.462 0 50 GCAA CNC(=O)C[C@@H]1CN(C(=O)NC2CCN(c3cccc(F)c3)CC2)C[C@H]1O 1875401263 HEIWZXUWCJITMO-CXAGYDPISA-N 378.448 0.933 0 50 GCAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(CN(C)S(C)(=O)=O)n21 2356144810 NBWCPXQADQPSQO-NSHDSACASA-N 381.433 0.912 0 50 GCAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 1096573 WVNSXHZTOZDVNN-JOAKQRRISA-N 375.424 0.258 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCC1=O 11842996 ZVZYNNRMJFUFMV-INIZCTEOSA-N 391.443 0.882 0 50 GCAA NS(=O)(=O)c1ccc(CCn2cnc3sc4c(c3c2=O)CCNC4)cc1 65409273 FKKVSAVVVHDYCK-UHFFFAOYSA-N 390.490 0.994 0 50 GCAA CCOC(=O)N1CCN(C(=O)Cn2nc(N3CCSCC3)ccc2=O)CC1 67630528 TUFKLEGWZOUONR-UHFFFAOYSA-N 395.485 0.097 0 50 GCAA COCC(=O)N1CCN(C)C[C@@H]1C(=O)N1CCN(Cc2cccc(C)c2)CC1 72458473 QGZYHCGNAGRLBT-LJQANCHMSA-N 388.512 0.428 0 50 GCAA CN1CCC(N(C)C(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)CC1 95367868 RZQUJBNJYYRTDD-HNNXBMFYSA-N 381.498 0.920 0 50 GCAA COC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1 97447019 IXUCZRLBWYZXKA-MRXNPFEDSA-N 381.498 0.922 0 50 GCAA Cn1ncc2c(=O)n(CC(=O)NC3CCN(Cc4ccccn4)CC3)cnc21 120207980 DPQRVRGVUAXHNG-UHFFFAOYSA-N 381.440 0.306 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3c(O)cccc3F)CC2)cn1 274651158 BWCXWKDXDVJXTB-UHFFFAOYSA-N 382.417 0.848 0 50 GCAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccnc(N(C)C)c2)cn1 328641892 YFLTVCDICZLCBZ-HNNXBMFYSA-N 377.470 0.976 0 50 GCAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCN(Cc2ccon2)CC1 333143414 ZEXSINVKEBXEIJ-UHFFFAOYSA-N 381.458 0.729 0 50 GCAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)C1 439585138 YAEJXSNSURWPJF-INIZCTEOSA-N 397.483 0.637 0 50 GCAA Cc1ccc2nc(CNC(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1C 584897436 INBSNMQMGMBLCX-CYBMUJFWSA-N 380.470 0.871 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1O 1529098807 LBDZJHQHTSLEOW-IRXDYDNUSA-N 384.498 0.694 0 50 GCAA CSCC[C@H](NC(=O)CCc1nc2c(O)nc(S)nc2nc1O)C(=O)O 1776004591 UPQVHDJOWTVHCR-ZETCQYMHSA-N 399.454 0.375 0 50 GCAA O=C(CCc1cnccn1)N1CCc2nc(C(=O)N3CCC[C@H](O)C3)cn2CC1 1875242018 JHJIWHCGCNCLTQ-INIZCTEOSA-N 398.467 0.288 0 50 GCAA CC(=O)N[C@@H](C(=O)N1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 1875300693 NUVLRAQMTGHCCT-RBUKOAKNSA-N 375.469 0.814 0 50 GCAA O=C(O)CC[C@@H]1C[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CO1 1875313750 SOUQDSSWEUPKCG-KZNAEPCWSA-N 376.453 0.792 0 50 GCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1c(F)cccc1F)C2 1940195831 PDQLILGLFLPIQS-QWRGUYRKSA-N 376.381 0.371 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2cncn2)CC[C@H]1NC(=O)c1cn[nH]c1 2100555617 ZFAXLPRBYQZSKB-NUEKZKHPSA-N 389.460 0.511 0 50 GCAA CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 632469 CIKMTOYMWDHAQN-NSHDSACASA-N 393.831 0.948 0 50 GCAA COc1cc(CN2CCNC(=O)C2)ccc1OC[C@H](O)CN1CCSCC1 12439382 AXJMBUKJFBWNNB-MRXNPFEDSA-N 395.525 0.416 0 50 GCAA Cc1ccc(-n2cc(CN3CCN4C(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]4C3)cn2)cc1 14743628 DWAKYFBWFQLYBF-BMGDILEWSA-N 383.452 0.073 0 50 GCAA Cc1cnc(C(=O)N2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)cn1 67919757 WCMHBMJYKQWRIP-JKSUJKDBSA-N 375.429 0.153 0 50 GCAA CC(C)Cc1cc(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)no1 92099516 BZCFNPAMAQAVFE-HUUCEWRRSA-N 378.473 0.574 0 50 GCAA CC(C)CN1CC2(CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)CC1=O 95360690 ZVJKTNZTALJJHT-UHFFFAOYSA-N 376.457 0.195 0 50 GCAA O=C(NCC1CCOCC1)c1cccc(S(=O)(=O)N[C@@H]2CCNC2=O)c1 215554780 CUWZIKDLCPZEIB-OAHLLOKOSA-N 381.454 0.010 0 50 GCAA CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@@H]1CCS(=O)(=O)C1 229485872 FSVJIBOEKUYNOC-XNJGSVPQSA-N 385.486 0.523 0 50 GCAA O=C(O)CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 238159945 GRMWPFRHKAXNSY-UHFFFAOYSA-N 391.287 0.925 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(F)(F)CN2)c1 263200630 IZZQIYCCPLNQET-CABZTGNLSA-N 390.412 0.035 0 50 GCAA NC(=O)COc1cccc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 299798228 WRCLIIRUWHCLFP-NFBUACBFSA-N 376.453 0.539 0 50 GCAA CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 365277943 KXZOOAYHIHUKTP-XQQFMLRXSA-N 377.532 0.474 0 50 GCAA O=C(N[C@@H]1C[C@H]1CO)c1sccc1S(=O)(=O)NC[C@@H](O)c1ccccc1 888096826 NSCOKANPLLZEQK-BFHYXJOUSA-N 396.490 0.871 0 50 GCAA C[C@@H]1CN(c2cc(C(=O)N3CCC(CNS(C)(=O)=O)CC3)ccn2)CCO1 952961844 OHVRLAZQXBXMJP-CQSZACIVSA-N 396.513 0.708 0 50 GCAA CN(C)CC(=O)Nc1cccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 952981139 GTFRZZKKYCGBDX-HNNXBMFYSA-N 382.486 0.244 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)Cc2ccon2)cc1OC 1529125621 RTYOWOCWGOFKKD-SJORKVTESA-N 375.381 0.907 0 50 GCAA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CC[C@H](C(=O)N2CCCC2)C[C@@H]1O 1857702434 BAQVLALWZPPYQA-DZKIICNBSA-N 387.436 0.863 0 50 GCAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCCc3cc[nH]n3)[C@@H]2c2ccccc2)C1 1857720378 QYSQSKVMITYECI-BJLQDIEVSA-N 395.463 0.889 0 50 GCAA O=C(NCCn1ccnn1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857734610 WQXRYNSWPUELRK-CQSZACIVSA-N 397.464 0.890 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cnc(-c3ccoc3)s1)C2 1875395817 MTXWKVLTZDRZHO-NSHDSACASA-N 395.462 0.778 0 50 GCAA Cn1cc([C@H]2C[C@@H](N=c3ncnc(N4CCC5(CCNC5)CC4)[nH]3)CCO2)cn1 1875406143 YARFZVLCYDOVQC-DLBZAZTESA-N 398.515 0.939 0 50 GCAA N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2 2332237531 ZPRLZNSZUBYQIV-RCCFBDPRSA-N 391.537 0.777 0 50 GCAA CN(C)C(=O)Cc1nnc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)s1 2356152564 PLQLIYGTHKXKKW-LBPRGKRZSA-N 386.441 0.578 0 50 GCAA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(N)=O)c3ccccc32)c(OC)c1 783818 AAFXTNABGZBSNK-FQEVSTJZSA-N 384.388 0.996 0 50 GCAA Cc1nn(C)c2ncnc(N3CC[C@@]4(C3)C(=O)N(CC(N)=O)c3ccccc34)c12 72470792 FKQTYPXPGDOOOR-FQEVSTJZSA-N 391.435 0.652 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2cc(C3CC3)no2)[C@H]2CS(=O)(=O)C[C@H]21 77518119 RFCMRIPMOYDSDU-QWHCGFSZSA-N 382.442 0.157 0 50 GCAA O=C(NCc1noc(-c2ccccc2)n1)c1cnc(Cn2cncn2)nc1O 91440116 QORJZQPOPOTMKG-UHFFFAOYSA-N 378.352 0.802 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)NC1CCN(C[C@H]2CCCO2)CC1 95368536 WOUSEXIMBSGMEG-GOSISDBHSA-N 388.516 0.358 0 50 GCAA Cn1ccnc1-c1ccc(N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)nn1 95372077 KJDVSLRKSUVUFU-CXAGYDPISA-N 392.485 0.100 0 50 GCAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)N3CCOCC3)N=C2O)cc1OC 252527956 DUVYKKORENVZHY-CQSZACIVSA-N 391.424 0.620 0 50 GCAA COCc1noc(CNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)n1 1772809726 DWSUVFLGWOUFSH-NSHDSACASA-N 393.469 0.930 0 50 GCAA Cc1nc2c(c(N3CCO[C@@](C)(CNC(=O)[C@@H]4CCC(=O)N4)C3)n1)CCCC2 1775990366 ALINUBKKXRCPRM-JXFKEZNVSA-N 387.484 0.654 0 50 GCAA Cc1cnc(C(=O)NC[C@@H]2CCC[C@H](NC(=O)C3(O)CCN(C)CC3)C2)cn1 1857678725 QBFSVUKOQUSEPE-CVEARBPZSA-N 389.500 0.647 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCC(N4CCOCC4)CC3)CC2=O)s1 1857711228 OUZSTDXMSMWIID-ZDUSSCGKSA-N 393.513 0.777 0 50 GCAA CN1C[C@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)CCc1ccc(C(N)=O)cc1)C2 1875393991 WVCNANDVZYKCKD-MRXNPFEDSA-N 394.479 0.478 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2SC1 6318084 PQIJLDPZHHQMJA-MLGOLLRUSA-N 394.380 0.741 0 50 GCAA CCN1CCN(C(=O)CCC2CCN(C(=O)CCn3cncn3)CC2)CC1 19299942 NAZHYRASGKHCNQ-UHFFFAOYSA-N 376.505 0.851 0 50 GCAA Cc1noc(C)c1CNC(=O)C[C@@H]1COCCN1C(=O)Cn1nccc1C 72423020 MBIRNKJQSYTMGD-OAHLLOKOSA-N 375.429 0.730 0 50 GCAA Cc1cn2cc(CNC(=O)c3ccc(CN4C[C@@H]5C[C@H]4CN5)[nH]c3=O)nc2s1 77385565 NHKCNOZIBDDLKO-ZFWWWQNUSA-N 398.492 0.869 0 50 GCAA CCN1CCN(CC(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)C(=O)C1=O 95507658 UTRFIZSNBNVEKD-CYBMUJFWSA-N 377.445 0.590 0 50 GCAA O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 95525089 HHMADNBINSKRLV-PWIZWCRZSA-N 380.448 0.625 0 50 GCAA Cc1ccccc1OC[C@H](O)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C 100737591 DUBQDZSBIBXDKP-LLVKDONJSA-N 376.438 0.471 0 50 GCAA CCN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCN(c2ccccc2)C1=O 112297379 HKGHDFIPOSPQJE-OAHLLOKOSA-N 380.408 0.545 0 50 GCAA COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c1 225442079 ZBLRSPAXBQCGAL-KSSFIOAISA-N 398.481 0.631 0 50 GCAA CNC(=O)c1noc(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)n1 584895469 LMVTUXNXFOKTLX-UHFFFAOYSA-N 375.385 0.714 0 50 GCAA O=C(NCCCN1CCOCC1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772808906 FGTPTMHDHXONKX-HNNXBMFYSA-N 394.541 0.923 0 50 GCAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCn3ccc(O)nc3=O)CC2)O1 1857700282 QKAMIPQDXUDWOQ-HUUCEWRRSA-N 379.457 0.896 0 50 GCAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](c2nnn(CCOC)n2)C1 1857722851 QCBIEQBYMHDBSL-HNNXBMFYSA-N 377.449 0.873 0 50 GCAA COc1cnc(C)cc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2cnccn2)C[C@H]1O 1875248922 YGQDXPIKFVVILC-APHBMKBZSA-N 385.424 0.374 0 50 GCAA O=C1CC[C@H](N2Cc3c(cccc3C(=O)N3CCCC[C@@H]3C(=O)O)C2=O)C(=O)N1 2325897472 XUTRIVCMIJELIV-LSDHHAIUSA-N 399.403 0.527 0 50 GCAA O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCN(c2ccccc2)C(=O)C1 12761632 VAWKKKYWGORZRI-SFHVURJKSA-N 384.480 0.995 0 50 GCAA C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc4ccccc34)CN2C1=O 14534680 NTHGAPYDLSTSBI-DTJGQCLQSA-N 382.420 0.810 0 50 GCAA O=C(O)c1cc(-n2cc(CCO)cn2)cc(S(=O)(=O)N2CCSCC2)c1 71759425 QEVSSQXUZVYZFC-UHFFFAOYSA-N 397.478 0.843 0 50 GCAA CC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)CC1 77301779 BRWIIMYMDJEEBA-NTLWEQJWSA-N 396.447 0.054 0 50 GCAA Cc1nnc(SCC(=O)N[C@H]2CCCCN(S(=O)(=O)N(C)C)C2)o1 82092078 ISRIUIKKSOTGTO-NSHDSACASA-N 377.492 0.247 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCCN(C)C1)CC2 91575475 PTADALVGZLUDPN-HNNXBMFYSA-N 389.500 0.600 0 50 GCAA O=C1CCC2(CCN(C(=O)[C@H]3CNCCO3)CC2)CN1CCCn1ccnc1 91746376 KNVIHDKHTIKAEL-QGZVFWFLSA-N 389.500 0.493 0 50 GCAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1cnc(Cn2cncn2)nc1O 91860900 AVZJFTXZZJRSFE-HNNXBMFYSA-N 384.396 0.723 0 50 GCAA O=C(NCCc1cnccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 95375434 HSJZKFPTOPHZKT-UHFFFAOYSA-N 376.438 0.470 0 50 GCAA O=C(NC[C@@H]1COCCO1)c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1 95510599 ZVAAODLLTPCRLI-CQSZACIVSA-N 380.426 0.033 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](N)c1ccccc1)CC2 95530047 TVCRMCNSTCVTFI-GOSISDBHSA-N 397.479 0.959 0 50 GCAA O=C(N[C@H]1CCN(C(=O)Cc2nc3ccccc3[nH]2)C[C@@H]1O)c1cnccn1 216639327 ULUWUKQZJDYVGY-HOCLYGCPSA-N 380.408 0.287 0 50 GCAA O=C(O)c1cccc(S(=O)(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c1 220111767 KMHNWKWWONZFRR-HNNXBMFYSA-N 381.410 0.202 0 50 GCAA Cn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 225690582 HBLOJSVIZRGKLI-MQYQWHSLSA-N 388.380 0.760 0 50 GCAA O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 252452831 HEPNQLJBABSYJE-LSDHHAIUSA-N 383.445 0.976 0 50 GCAA CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 263114620 FJOGIDVCCLRJJH-INIZCTEOSA-N 386.456 0.937 0 50 GCAA C[C@@H]1CN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C[C@H]1CO 275380947 YRFVRBLPVMQRAC-SFYZADRCSA-N 390.259 0.868 0 50 GCAA Cc1ccccc1CSCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 299756428 IBCRWYRJYMGDEK-IAGOWNOFSA-N 379.526 0.868 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCCNC(=O)C3)OCC(=O)N2C2CC2)cc1 1529104288 NHMGMWFUCJFMCD-MOPGFXCFSA-N 387.436 0.475 0 50 GCAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(C(=O)c3cnc(O)nc3O)CC2)C1 1529120397 ZBNPGBJYYFPYPF-CYBMUJFWSA-N 377.401 0.363 0 50 GCAA O=C(C1CCC1)N1C[C@@H]2CN(CC(=O)N3CCOc4ccccc43)C[C@]2(CO)C1 1772705790 NRDDCUBJRVIRKL-HTAPYJJXSA-N 399.491 0.965 0 50 GCAA CC(C)c1cc(N2CCO[C@](C)(CNC(=O)CC3CS(=O)(=O)C3)C2)ncn1 1775991574 LGMFWNLKHGAVAV-GOSISDBHSA-N 396.513 0.746 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cs1 1857704253 KMNAFLBNBTVUJO-MBNYWOFBSA-N 385.511 0.638 0 50 GCAA CN(C)C(=O)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 1875339730 VNFZVLJFBHRCPA-UHFFFAOYSA-N 394.439 0.006 0 50 GCAA COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCC[C@H](C(F)(F)F)C1=O 2325869962 DEXWGHHVZAAORN-QWRGUYRKSA-N 376.335 0.411 0 50 GCAA Cc1ccnn1CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCO1 2325879132 IZVBLPWLSVNZEV-WFASDCNBSA-N 393.394 0.911 0 50 GCAA Cn1c(=O)c2c(nc(SCC(=O)Nc3ccc(F)cc3)n2C)n(C)c1=O 707575 HMCUYBHPLUSXRR-UHFFFAOYSA-N 377.401 0.841 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)Cc3cc(C)no3)CC2)C1 71419237 NMOURDUKSPBQLS-INIZCTEOSA-N 392.500 0.991 0 50 GCAA O=C(c1cnc[nH]c1=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71776638 LJWWBTXFASJZNV-HNNXBMFYSA-N 387.484 0.709 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(O)CC2)c1OC 72121892 SKTHPWNCWOIFDK-MRXNPFEDSA-N 391.468 0.378 0 50 GCAA O=C(c1ncccc1O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72477608 VPOKTCFYDLNUCZ-CABCVRRESA-N 388.449 0.306 0 50 GCAA Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1 82115048 STMVMDNJNNKFEF-QWHCGFSZSA-N 378.520 0.231 0 50 GCAA CN1CC2(CCC1=O)CCN(S(=O)(=O)c1cccc3c1nnn3C)CC2 91679680 GPNBUBWILMHOTL-UHFFFAOYSA-N 377.470 0.991 0 50 GCAA CNC(=O)c1noc(CNC(=O)Nc2ccc(C(=O)NCCOC)cc2)n1 96151488 JNOIXKJJIRUWGF-UHFFFAOYSA-N 376.373 0.127 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1)N1C[C@@H]2CCN[C@@H]2C1 97551439 HHWOMKVOKKEBLV-XJKSGUPXSA-N 375.454 0.322 0 50 GCAA CN1CCN(S(=O)(=O)N2CCN(Cc3ccc4cn[nH]c4c3)CC2)CC1 131274782 RIIWPYTZOZWBBB-UHFFFAOYSA-N 378.502 0.173 0 50 GCAA CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCN3CCCC3)c2)C1 216243118 INMWPHFWUXVFMT-INIZCTEOSA-N 381.498 0.922 0 50 GCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCN3CCOCC3)N=C2O)cc1 252537034 KEUQDUYLIGDYKK-MRXNPFEDSA-N 390.440 0.159 0 50 GCAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn(CC(=O)O)nn1 262836041 SLSZTHMVCJCQBA-INIZCTEOSA-N 384.396 0.208 0 50 GCAA N=c1cc(-c2cccc(C(=O)NC[C@@H](O)CN3CCCCCC3)c2)[nH]c(=N)[nH]1 534592741 GTDPMQVCDOBMQP-MRXNPFEDSA-N 384.484 0.935 0 50 GCAA CC(C)n1cnnc1[C@@H](C)NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 534645998 HLSDWXDNMRDZAO-GFCCVEGCSA-N 377.449 0.988 0 50 GCAA O=C(CN1CCOCC1)NCC1CCN(C[C@H]2COc3ccccc3O2)CC1 827836859 NCPQISPNWDNKTC-SFHVURJKSA-N 389.496 0.987 0 50 GCAA NC(=O)N1CCC[C@H]1C(=O)N1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1 828108990 CACXCXMLNJAGOW-AWEZNQCLSA-N 376.461 0.146 0 50 GCAA CC(C)(C)n1nnc(CNC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)n1 952993241 GSPGSONEAMDELB-UHFFFAOYSA-N 399.443 0.379 0 50 GCAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)o1 1775959333 WGTAUVUWZQVWTH-MRVWCRGKSA-N 398.423 0.605 0 50 GCAA CO[C@H]1C[C@@H](C(=O)N2CCCN(C)CC2)CC[C@@H]1NC(=O)C1CCOCC1 1857690698 PDDNTAFZSBDPLQ-BZSNNMDCSA-N 381.517 0.877 0 50 GCAA Cc1nc2c(c(=NCC(N)=O)[nH]1)CC[C@]21CCCN(C(=O)c2cccn2C)C1 1875243036 MLPMOJZZSHSJNA-FQEVSTJZSA-N 382.468 0.563 0 50 GCAA CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 2325782732 AGZPBUYCZYXRNM-DCAQKATOSA-N 394.437 0.440 0 50 GCAA CCn1ncnc1CN1CC[C@H]2[C@@H]1CCN2c1ccc(S(C)(=O)=O)cn1 2356147695 KGRVPYKGBKWDNA-GJZGRUSLSA-N 376.486 0.950 0 50 GCAA CN1CCN(C(=O)CCn2nnnc2CN2CCOCC2)C[C@@H]1c1ccccc1 23159022 VXEIRPCWFVTNIN-GOSISDBHSA-N 399.499 0.411 0 50 GCAA CN1CCN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)C[C@@H]1C(=O)O 67714174 LARDJTJURATDCS-OAHLLOKOSA-N 391.453 0.478 0 50 GCAA Cc1c[nH]c(CN(C)C(=O)C[C@@H]2COCCN2C(=O)N2CCN(C)CC2)n1 72457575 GLINXJZYHPOZQB-OAHLLOKOSA-N 378.477 0.135 0 50 GCAA CCC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 72481480 WVRTYZIDDYBCSM-SJORKVTESA-N 389.477 0.957 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(CCc3cccc(F)c3)C[C@@H]2C1 95372614 LGMCKSNYMHDRPR-SJLPKXTDSA-N 385.505 0.933 0 50 GCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H]1c2ccccc2C[C@H]1O 175307458 HFXNIZDHXPZCSU-WIYYLYMNSA-N 391.427 0.833 0 50 GCAA CCN(CC(=O)O)C1CC(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)C1 262703792 IYDKMROJGMLXCN-UHFFFAOYSA-N 390.440 0.892 0 50 GCAA Cc1cc(N2CCC[C@H](NC(=O)NCc3cnc(N(C)C)n3C)C2=O)n(C)n1 267610477 OADUXPXEQYPTHW-AWEZNQCLSA-N 388.476 0.523 0 50 GCAA CN1CCC(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)(c2ccccc2)CC1 426511761 SIFCIPZAAYAMSP-INIZCTEOSA-N 397.479 0.381 0 50 GCAA Cc1cc(N2CCN(C(=O)N[C@H](C)Cc3cnccn3)CC2)n2ncnc2n1 426727353 GJAQTQRGUVCQPJ-CYBMUJFWSA-N 381.444 0.686 0 50 GCAA C[C@H]1CN(CCCNC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C[C@@H](C)O1 584901291 RGIYUNGUCXGATK-IYBDPMFKSA-N 377.489 0.981 0 50 GCAA COc1cccc(-n2cc(CNS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cn2)c1 670458669 SJUAYLHQNUXLKE-OAHLLOKOSA-N 385.467 0.487 0 50 GCAA COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 929178325 VLZHSCGLMSEDLT-MRXNPFEDSA-N 377.416 0.886 0 50 GCAA COCCN1CCC(CN(C)S(=O)(=O)N2CCC[C@H](C(=O)O)C2)CC1 1506423370 VRZLCAHNPDSQTH-HNNXBMFYSA-N 377.507 0.318 0 50 GCAA Cn1cnc2cc(C(=O)N[C@H]3CCN(C(=O)c4ccccn4)C[C@@H]3O)ccc21 1565506588 QHYPDVQPCDSWHV-KSSFIOAISA-N 379.420 0.974 0 50 GCAA Cc1ccccc1CNC(=O)CN1C[C@@H]2CN(Cc3cncnc3)C[C@]2(CO)C1 1772806130 ZEVYOOXKKCBBON-RBBKRZOGSA-N 395.507 0.828 0 50 GCAA CCOCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCCO)cc12 1857705072 RLCYILQCILWUNI-UHFFFAOYSA-N 382.482 0.897 0 50 GCAA COCCC[C@@]1(CO)CN(c2ncc(F)c(N3CCOCC3)n2)CC[C@H]1O 1857713494 XZOZYPNZJAUEGQ-QAPCUYQASA-N 384.452 0.429 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@@H]12 1857728554 HEDFNKMMDKJULP-XKQJLSEDSA-N 380.514 0.407 0 50 GCAA O=C(c1cn2c(n1)CCN(C(=O)[C@H]1CCOC1)CC2)N1CCc2nocc2C1 1875243469 ICQAIXDYPZLNRV-ZDUSSCGKSA-N 385.424 0.491 0 50 GCAA CCC[C@]1(CO)CCN(c2cncc(C(=O)N3CCN(C)CC3)n2)C[C@H]1O 1875250099 XNUHXADKTWTFKV-VQIMIIECSA-N 377.489 0.214 0 50 GCAA CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C2CC2)nc(S(C)(=O)=O)n1 1875330788 ZSQWXKQPNHCHQU-XBFCOCLRSA-N 394.497 0.972 0 50 GCAA CNC(=O)C[C@@H]1CN(C(=O)Cc2cc3nc[nH]c3cc2Br)C[C@H]1O 1875403786 CJWYVAOQNYWWQT-QMTHXVAHSA-N 395.257 0.823 0 50 GCAA CCc1c(C)nc2nc(=NC(=O)CN3C(=O)COc4ccc(C)cc43)[nH]n2c1O 2100477933 LDKANIQIBWXUSE-UHFFFAOYSA-N 396.407 0.795 0 50 GCAA CN(C)C(=O)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)s1 2100536912 FHMQOKPSCMWFQD-LLVKDONJSA-N 388.453 0.551 0 50 GCAA N=[S@@]1(=O)CCCc2ncnc(N[C@@H]3CCN(c4cc(O)nc(O)n4)C3)c21 2325852292 YYSCAWLGCRUPCX-ZJJDNZPOSA-N 377.430 0.720 0 50 GCAA Cc1nc(CCNC(=O)c2cn(CCN3CCOCC3)nn2)nc2c1CCCC2 19228650 VIYBZDHGZRIYLY-UHFFFAOYSA-N 399.499 0.560 0 50 GCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccc(Cl)cn2)CC1 20204945 ARZUFOCRQABPHM-OAHLLOKOSA-N 379.892 0.983 0 50 GCAA Cc1cc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n2ncnc2n1 29528353 JSRRVXFOUGQBID-UHFFFAOYSA-N 376.424 0.763 0 50 GCAA COc1cccc(CN2CCC[C@]3(CCN(C(CO)CO)C3)C2=O)c1OC 72426168 AEAYBIVDEUYKMT-HXUWFJFHSA-N 378.469 0.872 0 50 GCAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-n3cnnn3)cc1O)C2 95356751 SDXJCIQQWZEPMY-GXTWGEPZSA-N 385.428 0.586 0 50 GCAA CS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95508363 PXBQXGLBGXUTJX-UHFFFAOYSA-N 380.470 0.067 0 50 GCAA CN(C)CC[C@@](C)(O)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 170601935 BHLDWAXJQYALCB-OAHLLOKOSA-N 378.516 0.608 0 50 GCAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N2CCN(Cc3ccc(Cl)s3)C[C@@H]12 216104480 GHDWEOYKAYLPAO-OLZOCXBDSA-N 379.873 0.879 0 50 GCAA CC(C)CC(=O)C(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 220192041 XYXJXCXBSBPNMJ-LSDHHAIUSA-N 393.465 0.147 0 50 GCAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NS(=O)(=O)N2CCCCC2)C1 244748792 OOKQHZLNLWWCQU-OKILXGFUSA-N 379.490 0.626 0 50 GCAA CCC(=O)N[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@]2(O)CCO[C@H]2C)C1 888097815 PPLPOCZZGMBMRZ-KSMMKXTCSA-N 388.472 0.861 0 50 GCAA CN(C)Cc1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)cs1 1506397979 ZQNBPWYMMAZPKJ-UHFFFAOYSA-N 395.573 0.979 0 50 GCAA Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2NS(C)(=O)=O)c2c(C)noc2n1 1565508629 KYZNGZXLODXLGB-VZLIPTOUSA-N 380.426 0.275 0 50 GCAA Cn1ccc(C(=O)N2CC[C@](C)(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)c1 1775989339 KZOVQENGKQAEGY-IRXDYDNUSA-N 382.486 0.218 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1NC(=O)c1ccncc1F 1875243461 HWHFEBDQJMSCKL-ZLKJLUDKSA-N 376.392 0.569 0 50 GCAA CNC(=O)C[C@@H]1CN(C(=O)COCCc2ccc(Br)cc2)C[C@H]1O 1875404135 WJHCXSHXAUVLJC-UKRRQHHQSA-N 399.285 0.964 0 50 GCAA COC[C@@]1(O)CCOC[C@H]1NC(=O)CCc1ccccc1N1CCOCC1 2325770114 FBTUZPQJWQCVCL-QUCCMNQESA-N 378.469 0.738 0 50 GCAA C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 4899619 IAJCBRQYWHEYSN-AAEUAGOBSA-N 379.417 0.134 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC(N2CCSCC2)CC1 11874703 OTKZEMMNGURUPT-UHFFFAOYSA-N 381.550 0.553 0 50 GCAA Cc1cc(C(=O)N2CCc3c(nc(-c4ccc(C(N)=O)cc4)[nH]c3=O)C2)[nH]n1 67447285 TUTBCBXMZFHKQL-UHFFFAOYSA-N 378.392 0.766 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3nonc3C)CC2)C1 71730565 VKFGWILGGTXQKI-AWEZNQCLSA-N 379.461 0.457 0 50 GCAA O=C1CCC2(CCN(S(=O)(=O)c3cn[nH]c3)CC2)CN1C[C@@H]1CCCO1 91535908 XPZBDJXTEVFHJL-AWEZNQCLSA-N 382.486 0.982 0 50 GCAA O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1 95510600 ZVAAODLLTPCRLI-AWEZNQCLSA-N 380.426 0.033 0 50 GCAA Cc1ncncc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 95511251 VLGPMJNHGFSUKZ-WBVHZDCISA-N 375.473 0.728 0 50 GCAA CC1CCN(Cc2nnnn2CCCC(=O)NCc2nnc3n2CCC3)CC1 95529386 AJXCHASXLTWJFG-UHFFFAOYSA-N 387.492 0.539 0 50 GCAA COCCn1cnnc1[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F 97805522 CEAQRHRIVGPKMI-SNVBAGLBSA-N 375.368 0.922 0 50 GCAA NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 119901969 RUDPNFISRPQBAH-MRXNPFEDSA-N 379.420 0.896 0 50 GCAA O=S(=O)(c1c[nH]c2ncccc12)N1CCN(c2ncnc3[nH]ncc23)CC1 225515176 QKEQONARWXXDCA-UHFFFAOYSA-N 384.425 0.740 0 50 GCAA CCn1c(CN2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244899304 ZHKQQXIVJLACKX-IYBDPMFKSA-N 376.505 0.574 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc3ccccn13)C2 247949343 LEBZCCNVBMLAGG-KGLIPLIRSA-N 377.470 0.677 0 50 GCAA O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)c1cnn(-c2ccc(F)cc2)n1 363117399 HJQXGZICWKCQLS-UHFFFAOYSA-N 399.386 0.714 0 50 GCAA Cc1ccc(/C=C/C(=O)N2CCC([C@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)o1 366863367 KDRFDFJPVZWLQG-DKFQHHCZSA-N 387.436 0.971 0 50 GCAA NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCc3nnc(N4CCCOCC4)cc3C2)C1 952890520 BRCFGGNVXCVQLQ-HIFRSBDPSA-N 388.472 0.425 0 50 GCAA Cc1cc(N2CCN(C(=O)CN(C)Cc3cccnc3)CC2)n2ncnc2n1 952986709 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COc1ncc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72475130 JLTQALQYDYCKBX-CABCVRRESA-N 380.470 0.375 0 50 GCAA O=C1CN(CC(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)C(=O)N1 95373717 ARRKRFBKJHFVIO-WMLDXEAASA-N 382.464 0.628 0 50 GCAA CCn1ncc(S(=O)(=O)N2CCC(c3nccn3CC(N)=O)CC2)c1C 96142294 NMZMRNMHSNSDTH-UHFFFAOYSA-N 380.474 0.462 0 50 GCAA COC[C@@H]1[C@@H](NC(=O)c2cnc(N3CCN(C)CC3)nc2C)[C@@H]2CCO[C@@H]21 219162267 TXPYZXILKGTGEK-ORQFMDKSSA-N 375.473 0.317 0 50 GCAA O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CCOC[C@H]1C1CCOCC1 219436510 WSHCYBWIBBLFJT-KBPBESRZSA-N 388.511 0.974 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)COc2cccc(Cl)c2)C[C@H]1O 299754909 BZMLCXDUXDLXDT-ZIAGYGMSSA-N 391.877 0.077 0 50 GCAA Cn1nccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299793537 HDAQIVPMNPQSFP-QGZVFWFLSA-N 389.500 0.499 0 50 GCAA NC(=O)[C@H]1CC[C@@H](C(F)(F)F)N(Cc2nnnn2CC2CCOCC2)C1 375946293 GTXWXMRIXWUKJJ-RYUDHWBXSA-N 376.383 0.728 0 50 GCAA Nc1nc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cs1 779117803 ZXIMRZRCHFFPNB-UHFFFAOYSA-N 382.423 0.119 0 50 GCAA CCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nc2cc(C(=O)O)cnc21 1529186521 GWWLUDPZWWNHQF-UHFFFAOYSA-N 395.423 0.970 0 50 GCAA Cc1ccc(-c2ccnc(N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)n2)c(C)n1 1616077946 KUYLQBIVXISNMD-PBHICJAKSA-N 391.497 0.844 0 50 GCAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704342020 BYYDBSGOMFOFSN-DZGCQCFKSA-N 386.518 0.738 0 50 GCAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)c3cncc(F)c3)C[C@]2(CO)C1 1772812406 IFRGEQTWAAPKNO-RHSMWYFYSA-N 385.461 0.717 0 50 GCAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)Cc1cncn1C)C2 1857528098 HQTZVDBIDWSBJL-QGZVFWFLSA-N 395.511 0.911 0 50 GCAA CN1CCn2nc(C(=O)N3CCCO[C@H](CN4CCCCC4)C3)cc2C1=O 1857683613 XYVUUOFIZORVKX-OAHLLOKOSA-N 375.473 0.686 0 50 GCAA CN(CCO)C[C@@H](O)C1CCN(c2nc(N(C)C)nc3c2CCCC3)CC1 1857729720 IYCWVBVBHWMBMA-GOSISDBHSA-N 377.533 0.923 0 50 GCAA CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4)ccc21 1875246421 GJQOFOHSJLJOLO-CABCVRRESA-N 393.465 0.121 0 50 GCAA CCC[C@H]1COC[C@H]2CN(C(=O)CNS(=O)(=O)c3cccs3)CCN12 2100537117 JHNLOHNECLCDFZ-UONOGXRCSA-N 387.527 0.738 0 50 GCAA Cc1cc(=O)cc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCc4nocc4C3)C[C@H]2O)o1 2100547878 QGHUNZIOHLNFTF-IUIKQTSFSA-N 387.392 0.390 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)COc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72428391 KQRJLEWTSYGRDA-JKSUJKDBSA-N 380.466 0.558 0 50 GCAA CCCn1cnnc1CNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72430765 WEJUVKLXLQPEBW-GFCCVEGCSA-N 379.490 0.961 0 50 GCAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCNC(=O)C3)[C@@H]4C2=O)c1 77406532 ZNJDCRBCONETRC-UYZIEWPDSA-N 395.459 0.544 0 50 GCAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cnc(Cn2cncn2)[nH]c1=O 91474439 PGGYJNIRYUMVAK-UHFFFAOYSA-N 382.359 0.697 0 50 GCAA CN1CCO[C@@H](CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96135852 DNLHKPJPNQRPNG-ZDUSSCGKSA-N 379.461 0.418 0 50 GCAA Cc1cc(CC(=O)N2CCN(C(=O)C3CCC3)[C@H]3CS(=O)(=O)C[C@H]32)on1 213087111 PTZFAAQIPBNCFH-CABCVRRESA-N 381.454 0.162 0 50 GCAA O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@H]1C[C@@H](O)CN1 238007546 JCMDUZBHZCLYIQ-BZUAXINKSA-N 387.402 0.918 0 50 GCAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 262560537 YDVOLAXIYRKUDF-UHFFFAOYSA-N 387.392 0.308 0 50 GCAA CC1=C(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)Cn2nnnc2N1C 283211168 XLNXQCHRPZUEKX-SNVBAGLBSA-N 375.462 0.220 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCCN(c3ncccn3)CC2)cc1 363054568 UALLWOWAGZCKET-UHFFFAOYSA-N 375.454 0.737 0 50 GCAA COc1cccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 634690840 URKDQSLSTZHFFP-INIZCTEOSA-N 399.469 0.016 0 50 GCAA O=C1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)N1 798580296 OFHBDMQVAMMYJJ-GXTWGEPZSA-N 396.421 0.106 0 50 GCAA CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1c(C)cnn1C 813988564 MDSZNIKQOVHFKD-GFCCVEGCSA-N 392.503 0.128 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2(O)CCN(C)CC2)OCC(=O)N1C 1529112321 KTTKXDGWYCSWJG-MSOLQXFVSA-N 375.469 0.466 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)no2)C[C@@H]1O 1529150879 AXHNGEZZQSEUKA-ZFWWWQNUSA-N 379.438 0.666 0 50 GCAA Cc1cccc2cc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c(O)nc12 1529162116 WHLXRRALROLBHY-JKSUJKDBSA-N 379.482 0.933 0 50 GCAA Cn1c(O)nnc1CCNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772817886 ZOMYRVVAKATEFJ-LLVKDONJSA-N 392.485 0.278 0 50 GCAA O=C(Cc1cc(O)nc(O)n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1875257086 ROEFGWPGXZQYAD-AWEZNQCLSA-N 377.422 0.646 0 50 GCAA C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1[C@H]1CCN(C(=O)c2ccn3nccc3n2)C1 1875315527 YJBFYPIOWPBANN-KCQAQPDRSA-N 399.455 0.239 0 50 GCAA CCn1cnc2c1CCN(C(=O)[C@@H]1c3cnn(C)c3CCN1S(C)(=O)=O)C2 1875396260 ZZDHFDXGYJAHLU-INIZCTEOSA-N 392.485 0.080 0 50 GCAA CCN1CCN(c2cc(CNC(=O)c3ccn4c(O)nnc4c3)ccn2)CC1 2325779582 PWBRETZYCBMQRY-UHFFFAOYSA-N 381.440 0.902 0 50 GCAA CCOC(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C(N)=O 2356141802 QESBRNWUZJOTAN-GJZGRUSLSA-N 375.425 0.403 0 50 GCAA O=S(=O)(N1CCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 2885096 FFGADJIDAWVMDI-UHFFFAOYSA-N 380.536 0.065 0 50 GCAA CS(=O)(=O)N1CCC(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)CC1 6519886 GZEPFAMCMIGKRK-GFCCVEGCSA-N 375.344 0.465 0 50 GCAA Cc1nnnn1CCC(=O)N1CCOC[C@H]1CC(=O)NCC1=CCCCC1 72134517 AOPGMWHYDGETEK-MRXNPFEDSA-N 376.461 0.606 0 50 GCAA NC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72146939 VLUCFDCHPAOADO-CYBMUJFWSA-N 386.374 0.388 0 50 GCAA CC(C)CCN1C[C@@]2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O 91504877 XADAMZCISNAGPK-FQEVSTJZSA-N 390.484 0.883 0 50 GCAA CNS(=O)(=O)CCNC(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91793248 SUPGECZJSHKRIE-ZDUSSCGKSA-N 387.889 0.744 0 50 GCAA CN1CCN(S(=O)(=O)N(C)Cc2ccccc2)C[C@]12CCNC(=O)CC2 91943906 JWCREZIFWPJJHE-SFHVURJKSA-N 380.514 0.650 0 50 GCAA Cn1ncc(Cl)c1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 92062307 PKLSVYYPSSEENW-UHFFFAOYSA-N 386.865 0.365 0 50 GCAA CCN(C)CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 97632091 NXBOUNKSJNZMDP-INIZCTEOSA-N 383.514 0.856 0 50 GCAA C[C@H](CN)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 237604135 QGXVPTKSFQJHMZ-GFCCVEGCSA-N 381.502 0.562 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cccc(C(=N)O)c2)C1=O 328610534 IJMJCJHWTFHKOZ-CYBMUJFWSA-N 377.426 0.777 0 50 GCAA CN1CCO[C@H]2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C[C@H]21 332783658 LITOZFIMSXJPJU-CVEARBPZSA-N 386.456 0.998 0 50 GCAA COc1cc(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc(C(=O)O)c1OC 414326808 FMKUDCJPQSHCCJ-XJFOESAGSA-N 381.406 0.976 0 50 GCAA O=C(CCn1cnnc1)NCC1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 828574685 XTZZRVXRFQPDLH-SFHVURJKSA-N 389.431 0.896 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COc1cccc(Cl)c1 1704305441 VYMKOUGZDLJFKL-SMDDNHRTSA-N 376.862 0.741 0 50 GCAA O=C(NCCO)[C@H]1C[C@H]2CN(C(=O)C3CCC3)CC(=O)N2[C@H]1c1ccccc1 1857732587 XDSSSMODBFBTST-LNLFQRSKSA-N 385.464 0.696 0 50 GCAA O=C(c1cc(C(=O)N2CC[C@]3(C2)OC[C@@H]2C[C@H]23)[nH]n1)N1CC[C@]2(C1)OC[C@@H]1C[C@H]12 1875308523 JUQKVDIGLWKCJP-PUVFYOGNSA-N 398.463 0.912 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)Cc1cc(C)no1 2100545414 UISFAZVZQCDTEA-NWANDNLSSA-N 380.445 0.207 0 50 GCAA CC(C)=C(C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325878017 BWEOXTXSWCLMCE-CABCVRRESA-N 384.498 0.246 0 50 GCAA C[C@H](OCC1CC1)C(=O)N[C@@H]1CC2(CN(C(=O)c3ccn(C)n3)C2)n2ccnc21 2332237687 HVCAFMWHXPCHDL-XJKSGUPXSA-N 398.467 0.844 0 50 GCAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(-n2cncn2)c(Cl)c1 2356170792 UPGCPKIGWBHEON-UHFFFAOYSA-N 399.860 0.546 0 50 GCAA Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 11935008 RWPCGHOBCQMIIT-ZDUSSCGKSA-N 392.460 0.996 0 50 GCAA C[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)O1 19874567 WSNVDFCVCVYSBV-GJZGRUSLSA-N 397.497 0.755 0 50 GCAA 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 33358928 KMIQMFHPUJUDMC-ZHCJQAHYSA-N 389.401 0.068 0 50 GCAA biogenic COC[C@H](C)NC(=O)C1CCN(C(=O)CCn2c(C)cc(C)nc2=O)CC1 55270784 NJJKINFXOHQKFF-AWEZNQCLSA-N 378.473 0.640 0 50 GCAA CC(C)[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)CO2)c1nnc2n1CCNCC2 67841048 LONIONXERFRNRI-LJQANCHMSA-N 398.467 0.811 0 50 GCAA Cc1ccc(F)c(C(=O)N2CCNC[C@H]2C(=O)N2CCN(C)CC2)c1Cl 72128043 KCBIOJOJCLCTBV-AWEZNQCLSA-N 382.867 0.976 0 50 GCAA CCC[C@H](C)N1CC2(CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)OC1=O 72468818 GAPTWXXEXVRDHY-LBPRGKRZSA-N 378.429 0.608 0 50 GCAA Cc1cnc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@H](N)C3)c2)cn1 95376293 VVCNCEWKNOGVIT-AWEZNQCLSA-N 375.454 0.437 0 50 GCAA CCNC(=O)[C@@H]1CCN(C(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)C1 95504022 MSWBNLJVHRVJCE-LLVKDONJSA-N 375.429 0.876 0 50 GCAA O=C(Cn1cnnc1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96131710 VFYRZLUDWGWEII-UHFFFAOYSA-N 381.444 0.856 0 50 GCAA CCn1nc(C)c(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1C 96150068 QUGMRWWPQPRVPP-SJORKVTESA-N 391.516 0.263 0 50 GCAA Cn1ccnc1[C@H]1CNCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 261793096 USQDPVUXULYOKA-CYBMUJFWSA-N 388.453 0.258 0 50 GCAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 328618906 FDYRSUNBBYAJFN-IINYFYTJSA-N 393.425 0.065 0 50 GCAA C[C@H]1CCN([C@H](C)CCN2CC[C@@H](C)S(=O)(=O)CC2)CCS1(=O)=O 330274161 JRBTYORVPKDQLZ-OAGGEKHMSA-N 380.576 0.783 0 50 GCAA CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 372474074 PMTQGQZYYJQAIA-MRXNPFEDSA-N 393.509 0.905 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1NC2=O 426423435 NUNDAXIPNOOFMW-GFCCVEGCSA-N 378.454 0.782 0 50 GCAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N(CCO)Cc1cccs1 952973828 BNXMRQLOEONVRY-HNNXBMFYSA-N 386.539 0.968 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3=NNC(=O)CC3)CC2)cc1 952989968 TXXVFTRMMIWEQM-UHFFFAOYSA-N 392.481 0.874 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1csc(-c2ncccn2)n1 1704299886 MYVRDYBHXCJLTQ-QWRGUYRKSA-N 397.482 0.236 0 50 GCAA Cn1cccc(C(=O)N2CCCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)c1=O 1772805447 KXRAHMLQUWPVHF-OAHLLOKOSA-N 398.467 0.099 0 50 GCAA Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4c3COCC4)CC[C@@H]2O)c1 1857706261 NJBBJUHKYJRQLU-CVEARBPZSA-N 385.424 0.191 0 50 GCAA CC(=O)NCC12CC(C(=O)N[C@H](C)Cc3ccccn3)(C1)C1(CCNCC1)O2 1875393541 NVRRMGBNJBIMAQ-APMMTJHUSA-N 386.496 0.936 0 50 GCAA CN1CCN(c2cccc(N(CC(=O)N3CCOCC3)S(C)(=O)=O)c2)C1=O 2356147753 NGBRBMWYZXWUAN-UHFFFAOYSA-N 396.469 0.183 0 50 GCAA Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)NCc1ccccc1 2810427 HTCURLZADKQWTQ-UHFFFAOYSA-N 377.422 0.464 0 50 GCAA Cc1cc(Cl)c(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1OCC(N)=O 3889988 NXDBMMMUYUWVBP-ZDUSSCGKSA-N 378.834 0.900 0 50 GCAA CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc2c(c1)OCCO2 10450156 AVPAPANYEAXLIH-UHFFFAOYSA-N 397.497 0.826 0 50 GCAA Cc1c(F)cccc1CN1CCOC[C@@H]1CC(=O)NCCc1n[nH]c(=O)[nH]1 72411741 UPTBSEVMXKVVKD-AWEZNQCLSA-N 377.420 0.495 0 50 GCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCN(C(N)=O)CC2)[C@H]3C1=O 77322882 TZWXOLZRWYUUNX-LJPSSGMGSA-N 376.457 0.037 0 50 GCAA CCS(=O)(=O)N1CCc2cc(S(=O)(=O)NCC[C@@H](C)O)ccc2C1 77357019 QCHPKEYNGYARBE-GFCCVEGCSA-N 376.500 0.444 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C)CC2 95500546 DMDNUZNZRXOPEZ-HNNXBMFYSA-N 375.473 0.353 0 50 GCAA Cc1ccc2[nH]c(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)O)C3)nc2c1 96136452 MOHRCXNJLYXXAB-SJKOYZFVSA-N 378.454 0.649 0 50 GCAA CCn1c(C)nnc1SCCNC(=O)c1cnc(N2CCOCC2)nc1 97713584 VVWHRADONYVNGG-UHFFFAOYSA-N 377.474 0.755 0 50 GCAA CNC(=O)[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)c2ccccc2O1 198768217 PDSXWNINOOPLSY-KRWDZBQOSA-N 393.403 0.722 0 50 GCAA CN1CCN(CC(=O)N2CCOCC2)C[C@]12CCC(=O)N(CC1CC1)CC2 248134101 OAZLJHSWKGSCPI-HXUWFJFHSA-N 378.517 0.254 0 50 GCAA Cc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)cc1N1CCNC1=O 252537668 MABRGNXVFMDUNM-HDJSIYSDSA-N 384.440 0.821 0 50 GCAA Cc1cnccc1NCCNC(=O)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 253603428 YIYSFBVHBIOLFE-HOTGVXAUSA-N 375.473 0.003 0 50 GCAA COCCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1=O 268336851 GDOQAVVZIKDSDA-ZIAGYGMSSA-N 375.425 0.412 0 50 GCAA CN1C[C@@H](C(=O)N2CCC(C(C)(C)NC(=O)[C@@H]3CC(=O)N(C)C3)CC2)CC1=O 333663692 BLMZLBHJDCFZCF-KGLIPLIRSA-N 392.500 0.076 0 50 GCAA Cc1nccc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)n1 376279666 RVMIOTOTCGFIII-VXGBXAGGSA-N 395.407 0.749 0 50 GCAA Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCCC(=O)NC(N)=O)c2)cc1 467602619 REDDBQLLBADULU-UHFFFAOYSA-N 378.410 0.348 0 50 GCAA NC(=O)c1cccnc1N1CCN(C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 670469385 MONOITFOIIYFIM-KRWDZBQOSA-N 387.484 0.473 0 50 GCAA O=S(=O)(c1cccnc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952861510 HNVMDGNGXWMGMI-UHFFFAOYSA-N 388.515 0.509 0 50 GCAA COC[C@H](NC(=O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)c1ccnn1C 1506402972 QLVIJZMNQKWADO-ZDUSSCGKSA-N 385.428 0.076 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COc1cccc(Cl)c1 1704345102 VYMKOUGZDLJFKL-FZMZJTMJSA-N 376.862 0.741 0 50 GCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cn2c(n1)CCN(C(=O)Cc1cccnc1)CC2 1875251022 QWLXBWLVUPNSMG-LZLYRXPVSA-N 395.463 0.813 0 50 GCAA C[C@@H](NC(=O)CCCCCCn1cc(CCCS(N)(=O)=O)nn1)C(=O)O 1875354022 OLBWDRSRHLGLMV-GFCCVEGCSA-N 389.478 0.039 0 50 GCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cccc(N2CCOCC2=O)c1 1875403208 RWLHNUBLDXOPSV-ZTFGCOKTSA-N 384.436 0.816 0 50 GCAA CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 2325782733 AGZPBUYCZYXRNM-GARJFASQSA-N 394.437 0.440 0 50 GCAA NC[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325895452 AKSCRYXYHFJAGA-NUTKFTJISA-N 398.463 0.695 0 50 GCAA COc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(C)C)CC2=O)c1 15077452 VFAGHONCIWOXBV-KRWDZBQOSA-N 388.468 0.469 0 50 GCAA CS(=O)(=O)c1ncc(CN2CCN(CC3CC3)CC2)n1C[C@H]1CCCO1 20119270 BETDCRPSQUYVLT-QGZVFWFLSA-N 382.530 0.993 0 50 GCAA O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65461996 FGYILDHECLVEMJ-LSDHHAIUSA-N 381.450 0.917 0 50 GCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(CC(=O)N1CCNCC1)C2 91951254 IIEHYEADIASQSL-JKSUJKDBSA-N 375.473 0.146 0 50 GCAA C[C@H]1CN(C[C@@H]2CN(C(=O)CCc3csc(N)n3)C[C@@H]2CO)C[C@@H](C)O1 95378378 MJRDHTYUWHSDMZ-LXTVHRRPSA-N 382.530 0.834 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC)CN1C(=O)c1ccccc1O 96164324 QVAGSKJKRBKUIZ-HIFRSBDPSA-N 377.441 0.606 0 50 GCAA Cn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c(=O)n(C)c1=O 135808682 UFISEWLPHJBTOD-AWEZNQCLSA-N 377.466 0.898 0 50 GCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCN1 262618016 HZBVIXCCRFEAEF-OCCSQVGLSA-N 393.465 0.444 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 333893209 HJIRYJARKHPKLX-RISCZKNCSA-N 395.886 0.925 0 50 GCAA O=C(NCCSc1nc2ccccc2o1)c1cc2n(n1)C[C@H](O)CNC2=O 426517707 YMNFDTGGSNOMOF-SNVBAGLBSA-N 387.421 0.651 0 50 GCAA Cc1nnc(SCCCNC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)s1 426552406 XINVGLSVYJMXMD-NSHDSACASA-N 394.544 0.520 0 50 GCAA CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccn(-c2ccc(F)cn2)n1 952852282 BCGKGEQNXBTUHO-GFCCVEGCSA-N 398.420 0.188 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 1704297628 ARVYWSSLSXUHJP-JSGCOSHPSA-N 380.463 0.152 0 50 GCAA O=C(CCn1cccn1)N1C[C@H]2CN(C(=O)Cc3ccsc3)C[C@]2(CO)C1 1772703491 GFGFASMMXZTZTD-LPHOPBHVSA-N 388.493 0.857 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ncc[nH]3)[C@H]2c2cnn(C)c2)CC1 1857714778 LJEHCARCLKLNPV-IRXDYDNUSA-N 387.488 0.363 0 50 GCAA O=C1CCc2cc(S(=O)(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)ccc2N1 1875250778 GRNOEJISFJWPLE-PBHICJAKSA-N 377.422 0.293 0 50 GCAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccnn1C1CCCC1)C2 1875395490 COQLFEOEFTXADG-CQSZACIVSA-N 394.497 0.716 0 50 GCAA O=C(NCc1ccc2nonc2c1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20600636 UEUKPRSTNIKEPX-HNNXBMFYSA-N 387.440 0.410 0 50 GCAA CCn1c(C2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)n[nH]c1=O 67982190 IXTZSZSGIJBXJG-UHFFFAOYSA-N 392.481 0.944 0 50 GCAA COCCN(C)CCN1CC2(CCN(C(=O)c3cc(C)no3)CC2)OC1=O 77379169 ODIPSTAVTKQBGM-UHFFFAOYSA-N 380.445 0.988 0 50 GCAA O=C(c1n[nH]c2c1CCCC2)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77470127 VHSNIYFGJPEVDP-CVEARBPZSA-N 378.498 0.622 0 50 GCAA CN1CCN(S(=O)(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)CC1 91603692 SVGMZAUWXBCTCH-GOSISDBHSA-N 384.546 0.593 0 50 GCAA CN1CCCN(C(=O)c2cccc(S(=O)(=O)N[C@@H]3CCCNC3)c2)CC1 95386894 ABAHCUZZBLDNME-MRXNPFEDSA-N 380.514 0.495 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)n[nH]1 97569005 JMBOEEUXECZHKC-LBPRGKRZSA-N 379.442 0.358 0 50 GCAA O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCN1CCOCC1 170625178 XMYWNPCSUDVNPX-INIZCTEOSA-N 392.431 0.127 0 50 GCAA CCn1c(CC2CCN(C(=O)C[C@H]3C[C@H](C)NC(=S)N3)CC2)nn(C)c1=O 212756619 NHTQJHZVXUAQIK-GXTWGEPZSA-N 394.545 0.398 0 50 GCAA Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 261995922 KUODPTWZMZAPKY-ZDUSSCGKSA-N 390.425 0.110 0 50 GCAA CCCc1nc(CN2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)cs1 262968146 REWJPHWFYYDXRU-ZDUSSCGKSA-N 391.515 0.643 0 50 GCAA COCCCNC(=O)CN1C(=O)N[C@H](c2ccccc2OC)C2=C1COC2=O 263616191 HNVMCSCUIKNQTB-QGZVFWFLSA-N 389.408 0.725 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cn1C 408106135 JNPDZWZVZCMDPW-IUODEOHRSA-N 394.497 0.549 0 50 GCAA NC(=O)Cn1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)nn1 463586517 BHTFNDXQUSIXDT-GFCCVEGCSA-N 399.386 0.972 0 50 GCAA COCCc1nc(CNC(=O)N2CCN(c3nc(C)cnc3C)CC2)no1 534580374 PDCZMGXVXJMMLI-UHFFFAOYSA-N 375.433 0.697 0 50 GCAA O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088915 XFUKISIYUPWCOS-ZQIUZPCESA-N 381.436 0.651 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)CCN1CCOCC1 952968205 KOPVAVZYLAULDQ-UHFFFAOYSA-N 380.470 0.834 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3ccsc3)[nH]n2)C[C@H]1O 1529187727 ZDEXQBSMVDMWSG-SMDDNHRTSA-N 384.483 0.463 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N(C)Cc3nncn3CCOC)CC2=O)s1 1857722096 BGRXLAMMZHURHE-NSHDSACASA-N 393.473 0.350 0 50 GCAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)NC(=O)NC1=O 1875328687 HJBKNTFQLZWVSV-GOSISDBHSA-N 379.380 0.275 0 50 GCAA Cc1cccc(C)c1OCC(=O)N1CC2(C1)[C@@H](C(=O)N(C)C)CCS2(=O)=O 1875396014 SJVXHRPSJVXZEW-OAHLLOKOSA-N 394.493 0.786 0 50 GCAA CCN1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CCC1=O 2325864305 LTUYEGFTZQHKQN-JKSUJKDBSA-N 386.452 0.375 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnccn1 19338045 SCKDXNQEKOFHNS-SFHVURJKSA-N 397.479 0.925 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 67966885 XOEJTUVDYPSKKV-ONGXEEELSA-N 384.362 0.734 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3cc(C)nc(N)n3)CC2)C1 71765415 YKQSPUAZUVWPHT-OAHLLOKOSA-N 376.505 0.811 0 50 GCAA O=C(CCc1cc2n(n1)CCNC2)N1CCc2c(nc(CC3CC3)[nH]c2=O)C1 72418712 MTFLMSPGDDVSNV-UHFFFAOYSA-N 382.468 0.540 0 50 GCAA Cc1cc(CC(=O)N2CCN(Cc3ccc(C)o3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 77564485 YWNONDSESZONTH-SJORKVTESA-N 393.465 0.937 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](Cn2cc(-c3ccc(-c4cc[nH]n4)o3)nn2)C1 91644557 SOIPDJSVWKCHGF-NSHDSACASA-N 378.414 0.589 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95498237 KUPYHBXLMYBPMX-LBPRGKRZSA-N 388.453 0.646 0 50 GCAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCOC[C@@H](O)C2)CC1 95501009 LTSUPCVILMAXND-HNNXBMFYSA-N 392.452 0.536 0 50 GCAA Cc1ccc(F)c(OCC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c1Cl 213221685 SSQYCNNIWUYNJZ-NEPJUHHUSA-N 376.837 0.764 0 50 GCAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2 218912824 TUOWZBYNYAKKLO-CYBMUJFWSA-N 380.426 0.483 0 50 GCAA CC[C@@]1(O)C(=O)N(c2cccc(C(=O)NCCc3nnc(N)s3)c2)N=C1C 220720184 WEJNGXFGPPZIIF-KRWDZBQOSA-N 388.453 0.956 0 50 GCAA CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 230198775 KMIZBXMQSFDTQB-JKSUJKDBSA-N 377.466 0.206 0 50 GCAA C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCC(Cc2ccccc2)CC1 253400598 XDLUBNLEPYAPSD-AWEZNQCLSA-N 379.482 0.875 0 50 GCAA Cc1nc2c(c(=O)n1C)CCN(C(=O)Cc1ccc(-n3cnnn3)cc1)CC2 299800758 VRLZCASASRPDAO-UHFFFAOYSA-N 379.424 0.234 0 50 GCAA CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@]1(C)CCC(=O)N1)C2 333721580 VHYOCFBYGHDPSG-GOSISDBHSA-N 394.497 0.673 0 50 GCAA CCS(=O)(=O)c1ccc(NS(=O)(=O)CCOCCOCCOC)cc1 408516208 YYGBUUMVJNNLKJ-UHFFFAOYSA-N 395.499 0.902 0 50 GCAA CCOC(=O)N1CCC(N2C[C@@H]3CN(C(=O)CSC)C[C@@]3(CO)C2)CC1 1772819999 ZSEFMBMFSBYZNO-RDTXWAMCSA-N 385.530 0.723 0 50 GCAA O=C(NC1(C2CCN(c3nccn4nnnc34)CC2)CC1)c1ccc(O)nc1 1775989952 AUQCRLMWCHSRCU-UHFFFAOYSA-N 380.412 0.799 0 50 GCAA CN1CCn2nc(C(=O)N3CCc4nc[nH]c4[C@H]3c3ccncc3)cc2C1=O 1857673167 NZOUHZJJMDPPJH-QGZVFWFLSA-N 377.408 0.875 0 50 GCAA O=C(c1cn[nH]c1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857734926 ZCASDMGPWFFLOW-LJQANCHMSA-N 384.440 0.862 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)CO 11879984 QDWCOLLMPJKSMS-INIZCTEOSA-N 377.485 0.911 0 50 GCAA COc1cc([C@@H](C)NC(=O)N2CCN(CC(N)=O)CC2)cc(OC)c1OC 45316256 DREYFHXYXVTJIM-GFCCVEGCSA-N 380.445 0.586 0 50 GCAA CCC[C@H](N)C(=O)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77422492 QUDJTXFGUSEXBH-INIZCTEOSA-N 381.498 0.720 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCOC2(CCOCC2)C1 77541980 RENTUQJBTNNRJG-LBPRGKRZSA-N 384.454 0.801 0 50 GCAA CC[C@H](C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2)N1CCCC1 91620856 WBZDDDUOVHLAHN-MRXNPFEDSA-N 383.518 0.539 0 50 GCAA O=C(c1cc(F)cc(Cl)c1)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95381921 FZHGIKARQGGTFR-KGLIPLIRSA-N 376.837 0.395 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2nonc2C)CN1Cc1ccc(C)o1 95512751 BOMPBJDDIGZJJT-CJNGLKHVSA-N 375.429 0.717 0 50 GCAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 216550305 DQWAQNBGWIUMCP-HNNXBMFYSA-N 375.454 0.780 0 50 GCAA Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 285311189 DXMAYMSNVPDWFY-GFCCVEGCSA-N 390.483 0.738 0 50 GCAA O=C(N1CCCC1)N1CCC[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 329079014 QRKAOKHPZNNREQ-LSDHHAIUSA-N 397.501 0.803 0 50 GCAA CCOc1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1CO 426712785 QPGWWZOLNKLXAF-UHFFFAOYSA-N 394.497 0.839 0 50 GCAA Cc1nn2c(NC(=O)[C@@H](Cc3ccccc3)n3cnnn3)csc2nc1=O 1506430073 XEXAJCNBGJSLBM-GFCCVEGCSA-N 382.409 0.868 0 50 GCAA COCC(=O)N1C[C@H]2CN(C(=O)c3cc(O)nc4ccc(C)cc34)C[C@]2(CO)C1 1772710387 QUDCSQFNNNYVBP-QKKBWIMNSA-N 399.447 0.788 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCCc2cnn[nH]2)C1)C1CCOCC1 1857704521 VVRCCONNVAOIAM-QFBILLFUSA-N 390.488 0.003 0 50 GCAA O=C([C@@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)N1C[C@@H]2COC[C@@H]21 2325805769 VOBBTGSCEBYSKS-INNHCVQGSA-N 377.344 0.593 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)N4CCC[C@H](C(=O)O)C4)cccc3C2=O)C(=O)N1 2325897569 ZIXTZCGMDKQEOD-NHYWBVRUSA-N 399.403 0.384 0 50 GCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 4097358 OHKOGUYZJXTSFX-KIKITERTSA-N 384.435 0.548 0 50 GCAA biogenic,world CCN1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7724481 BHZMLFCNDXNWKM-MRXNPFEDSA-N 381.498 0.922 0 50 GCAA CCN(CCn1cccn1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 14974151 KQRWTBMSZOTHRM-KRWDZBQOSA-N 377.489 0.302 0 50 GCAA CN1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 16210671 OPESSCJGKWHKLD-UHFFFAOYSA-N 384.527 0.652 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)NC1CCOCC1 72481616 PJAZIXPKLHEAJN-AWEZNQCLSA-N 387.458 0.366 0 50 GCAA Cc1ccc(OCCN2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 77439588 WWJMQCHYULVBEP-DLBZAZTESA-N 382.482 0.550 0 50 GCAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 91893902 OCJSPVAHHOHFRF-IBGZPJMESA-N 389.456 0.018 0 50 GCAA C[C@@H](Cn1cncn1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95518895 QLSPZVHNXDEEHJ-AWEZNQCLSA-N 397.483 0.950 0 50 GCAA CCNC(=O)CN1CCCN(S(=O)(=O)Cc2noc3ccccc23)CC1 180406571 UECGKLUXFFGKTA-UHFFFAOYSA-N 380.470 0.801 0 50 GCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@H]5[C@]16CCS(=O)(=O)CC[C@]56[C@@H]2[C@@H]34 247302503 FGRJPSMYCYTGIC-DILRVOJOSA-N 397.456 0.597 0 50 GCAA CN(CC(=O)O)C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CCO1 262926143 GADLEGMJBHVWRU-ZBFHGGJFSA-N 390.440 0.219 0 50 GCAA Cc1n[nH]nc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299772048 YMRWGFWKGJORGW-MRXNPFEDSA-N 390.488 0.192 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)c(=O)n(C)c1C 299800968 WPPRXPFAAXHUMX-HZPDHXFCSA-N 376.482 0.824 0 50 GCAA COCCN1C(=O)C[C@H](CNC(=O)Nc2ccn(C)n2)[C@H]1c1cnn(C)c1C 425640730 QOHWDUWGRADSJA-DYVFJYSZSA-N 389.460 0.820 0 50 GCAA CN1CCN(c2nccc(CNC(=O)N3CC[C@@]4(CCCN(C)C4)C3)n2)CC1 888102539 SVKCVBJKUIRJJQ-HXUWFJFHSA-N 387.532 0.856 0 50 GCAA NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(O)nc1 1320934888 KYMUGBMMAUCSPO-MRXNPFEDSA-N 384.436 0.439 0 50 GCAA Cc1ccccc1-c1noc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)n1 1615955378 YGMZIXBKKXPLHP-HIFRSBDPSA-N 380.470 0.729 0 50 GCAA Cc1cn(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(=O)nc1O 1857716259 DSDAMGOEHBETDC-IXDOHACOSA-N 384.436 0.588 0 50 GCAA C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(O)CC(=O)Nc2ccc(Cl)cc21 1875323613 NASNNLARKNFGOV-BBATYDOGSA-N 394.859 0.448 0 50 GCAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)N3C[C@H]4[C@H](N)CC[C@H]4C3)nc12 1875350203 FCOQUNDRXKXVTA-QJPTWQEYSA-N 380.408 0.898 0 50 GCAA C=CC(=O)N(CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)C[C@H]1CCCO1 1875388158 PBKKSUXIXBRLJY-FCEWJHQRSA-N 380.485 0.864 0 50 GCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(CN2CCOCC2)cn1 1875402853 MOHXTTOLHUAACH-BHIYHBOVSA-N 385.468 0.680 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCCc2ncc[nH]2)cc1OC 2100534659 SBVRTRDIHJIGLU-MSOLQXFVSA-N 388.424 0.732 0 50 GCAA CC(=O)N1CCOC2(CCS(=O)(=NC(=O)[C@H](C)Cn3ccnc3)CC2)C1 2325775904 AREKMSBQYDHQMS-CPDMNFEZSA-N 382.486 0.925 0 50 GCAA COCCOC1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1 12026341 ZAIPQJSUIZSQPH-UHFFFAOYSA-N 380.493 0.703 0 50 GCAA CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 69690785 RAQGHVKHYVZJFG-UHFFFAOYSA-N 383.470 0.597 0 50 GCAA CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 71769340 QLMXTBBDEDJJSY-IJEWVQPXSA-N 379.482 0.744 0 50 GCAA O=C(NC1CCOCC1)[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 72435289 PHVKBJYGOSDKCU-KRWDZBQOSA-N 376.409 0.480 0 50 GCAA Cc1nnc2n1CCN(S(=O)(=O)c1ccc(C(=O)NC3CC3)cc1)CC2 91809112 AWDVIEGIAWAVFT-UHFFFAOYSA-N 375.454 0.726 0 50 GCAA COc1cc(=O)n2c(c1C(=O)N1CCC(c3nccn3C)CC1)CCNCC2 95528807 ZRCXOYPVUPTROT-UHFFFAOYSA-N 385.468 0.756 0 50 GCAA Cc1c([C@@H](C)NC(=O)Cn2cc(C[C@@H]3NC(=O)NC3=O)nn2)oc2ccccc12 952746507 OVNJRPIQLDMIFP-RISCZKNCSA-N 396.407 0.961 0 50 GCAA O=C(NOC[C@@H]1CCOC1)N1CCc2nnc(N3CCCOCC3)cc2C1 952890992 QUTULEITRWPABR-CQSZACIVSA-N 377.445 0.739 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)Cc2ncon2)cc1OC 1529120683 JHZCIZGNSPNZLP-CVEARBPZSA-N 376.369 0.302 0 50 GCAA COCc1noc(CN2C[C@H]3CN(C(=O)c4cnsc4)C[C@]3(CO)C2)n1 1772712900 UVYLNZVJBNGOGN-LRDDRELGSA-N 379.442 0.239 0 50 GCAA COc1cc(CN2CC[C@]3(CNC(=O)CO3)C2)cc(Cl)c1OCC(=O)O 1772804081 FOAYSSHYUZWUNH-KRWDZBQOSA-N 384.816 0.903 0 50 GCAA CC[C@@H](C)CN1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)CC1=O 1857681202 CADNTIIZSMRBFV-OAHLLOKOSA-N 378.477 0.719 0 50 GCAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cccc(-n3cnnc3)n2)N1CC1CCOCC1 1857683383 WJXPZCLPZPXCLO-IRXDYDNUSA-N 396.451 0.904 0 50 GCAA COc1ccccc1-n1cc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cn1 1857735130 JFISOTGBCGPXGY-RDJZCZTQSA-N 394.497 0.565 0 50 GCAA CCN1C[C@H](C(=O)N2CC[C@](C)(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1=O 1875334794 FHHLACSUVSVSHV-VLIAUNLRSA-N 398.467 0.856 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 12594433 LNZUQFQZVSPCFM-AWEZNQCLSA-N 393.440 0.026 0 50 GCAA O=C(c1ccon1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71764294 RNXNYUCWOISYTJ-HNNXBMFYSA-N 376.457 0.850 0 50 GCAA C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1cnn(C)c1 95386465 OUMWDXNDTHLOMF-ZDUSSCGKSA-N 378.454 0.932 0 50 GCAA Cn1cc(S(=O)(=O)NC[C@@]2(C)CCCc3ccccc32)c(=O)n(C)c1=O 181428226 KEJUTKYRPHIGAL-GOSISDBHSA-N 377.466 0.657 0 50 GCAA Cc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(C)c1[C@@H]1COCCN1C 952894283 MWTVLFDSPOULDB-INIZCTEOSA-N 378.473 0.869 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2cc(-c3cccs3)nn2C)C[C@@H]1O 1615964444 HMFVGCRMWYSXIC-RISCZKNCSA-N 398.510 0.473 0 50 GCAA CCn1c(C)ccc(C(=O)N2CCCN(C(=O)CN3CCCC3=O)CC2)c1=O 1772807192 QRKULZWSRWGPNM-UHFFFAOYSA-N 388.468 0.474 0 50 GCAA Cn1cncc1C(=O)N1C[C@H]2CN(Cc3ccn4nccc4c3)C[C@@]2(CO)C1 1772818963 CSQKZUTXYJEKJO-UZLBHIALSA-N 380.452 0.634 0 50 GCAA COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)C[C@H]1O 1775989758 RKOFLCTXDHOION-RBDSIQFVSA-N 393.415 0.037 0 50 GCAA Cc1cc2[nH]cc(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)c(=O)n2n1 1857718950 BIFYRXVMBOJEQF-RDJZCZTQSA-N 399.455 0.208 0 50 GCAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)CCSC)[C@H]4CC[C@]3(C2)O4)[nH]1 1857727452 RUPSIQISWIHTAL-HNSFDTNUSA-N 377.514 0.793 0 50 GCAA Cc1nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)nc2c1CCC2 2100544969 DCLICUHDNIAQGT-MOPGFXCFSA-N 381.436 0.584 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc4ncccc4c3)CCN2C1=O 14744927 SOAJFGQXCHXQPU-RBUKOAKNSA-N 381.480 0.875 0 50 GCAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCN(Cc4nccn4C)CC3)C2)cc1 22914025 NAMALENYBRGRDR-OALUTQOASA-N 399.495 0.432 0 50 GCAA CN(C)S(=O)(=O)N1CCC(Cc2nnc(CO)n2-c2ccccc2)CC1 55211568 WGLLTYAIGWXFKY-UHFFFAOYSA-N 379.486 0.821 0 50 GCAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1 67842351 QSXOZDIBJFWPIN-SECBINFHSA-N 387.483 0.239 0 50 GCAA CC(=O)NCCN1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71615056 ILYAMPJXXCLDAO-GOSISDBHSA-N 379.549 0.073 0 50 GCAA CS(=O)(=O)c1ccc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)c(F)c1 72152751 OVOWKHQMVXFJQA-UHFFFAOYSA-N 393.488 0.851 0 50 GCAA CCc1nn(C)c(Cl)c1CN1CCOC[C@@H]1CC(=O)N1CCNC(=O)C1 72476157 YXBHYIRWYKJKNE-LBPRGKRZSA-N 383.880 0.185 0 50 GCAA Cc1nn(C)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 91434044 BNXSRQKKWQPUJD-WBVHZDCISA-N 377.489 0.671 0 50 GCAA Cn1ccnc1C1CCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CCN)C(=O)[C@@H]24)O3)CC1 95517496 ZWIGSHSBHCOVGE-MFCZKXCZSA-N 387.484 0.091 0 50 GCAA CCCOC(=O)N1CCN(C(=O)c2cc(CC)no2)[C@@H]2CS(=O)(=O)C[C@@H]21 219654691 CYCWXFBHUGCDRZ-OLZOCXBDSA-N 385.442 0.707 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)[C@H]2CCO[C@H]21 222898513 YHFSMLKVUOPKNG-ITDAGMBRSA-N 378.454 0.317 0 50 GCAA O=C1NC[C@H](O)Cn2nc(C(=O)N3CCC(OCc4ccccc4)CC3)cc21 252497039 PXUHFSRABVYWEQ-HNNXBMFYSA-N 384.436 0.809 0 50 GCAA CCn1cc(S(=O)(=O)NC[C@H](c2ccccn2)N2CCOCC2)c(C)n1 670439676 BGGKBHOXKPABHF-MRXNPFEDSA-N 379.486 0.958 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cn2cc(Cl)ccc2n1 1704337058 RZCBRLRNPFPQFR-GWCFXTLKSA-N 386.861 0.624 0 50 GCAA CCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704339087 CWCLMOVCYDWANV-DZGCQCFKSA-N 376.500 0.434 0 50 GCAA Nc1ncc(CN2C[C@@H]3CN(C(=O)c4ccncc4Cl)C[C@]3(CO)C2)cn1 1772818363 RBJDLYZZHYSTRS-ACJLOTCBSA-N 388.859 0.674 0 50 GCAA CCn1nc(C(C)C)cc1C(=O)N1CC2(C1)[C@@H](C(=O)N(C)C)CCS2(=O)=O 1875395317 ANEPZPKVXCGCCA-CYBMUJFWSA-N 396.513 0.744 0 50 GCAA C[C@@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1cnc2ccccc2n1 1875400148 SCTILVHAJZZCOL-ZIAGYGMSSA-N 380.452 0.957 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCCN2CCCC2)C[C@@H]1O)C1Cc2ccccc2C1 1940198201 UMUKUYMRMXZQKT-UFYCRDLUSA-N 385.508 0.869 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)CCc2cn[nH]c2)cc1OC 2100482734 VBHMQNDJCNYDBC-MSOLQXFVSA-N 388.424 0.684 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCOc1cccnc1 12304362 IDBWVGHUFWDQIB-GOSISDBHSA-N 398.463 0.976 0 50 GCAA COCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O 13142312 LWJZSSOLINCKCI-UHFFFAOYSA-N 383.452 0.996 0 50 GCAA O=C1N[C@@H](C(=O)NCc2cccnc2N2CCN(c3ccccn3)CC2)CO1 67975426 XONNJBLMLQHDIT-OAHLLOKOSA-N 382.424 0.528 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N2CCCOCC2)c1 95522138 VBVWWFFQHYTANL-UHFFFAOYSA-N 378.454 0.724 0 50 GCAA Cc1ccccc1OC1CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1 426369190 MXPUBRQMJTYARK-CQSZACIVSA-N 384.436 0.979 0 50 GCAA Cn1cncc1C(=O)NCC1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)N2)CC1 827780051 IBIMIRMEEFHWDI-KRWDZBQOSA-N 395.463 0.743 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)C[C@H]1O 1529189810 ZACVUNJUXUTGBP-WCQYABFASA-N 378.397 0.612 0 50 GCAA CN1CC[C@]2(C(=O)NCCO)CCCN(S(=O)(=O)c3ccc(F)cc3)[C@H]2C1 1857694677 UGLHJRLHLDZBBK-FUHWJXTLSA-N 399.488 0.409 0 50 GCAA COCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1762695 SHWWCENRSHZLMR-UHFFFAOYSA-N 384.440 0.396 0 50 GCAA COc1nc2c(cc1CNC(=O)CN(C)C)C(=O)N(CCc1ccccn1)C2 71761085 JICSGVBLIAMPAK-UHFFFAOYSA-N 383.452 0.862 0 50 GCAA CN(CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)C(N)=O 91288763 JRLDEFYBPURTOZ-UHFFFAOYSA-N 388.472 0.423 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@H]2CCC(=O)O)CC1 91736787 JGIFKCQHIMRKKK-MSOLQXFVSA-N 391.516 0.682 0 50 GCAA O=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 91830594 RRBPJOKWJYHXCG-HNNXBMFYSA-N 376.457 0.541 0 50 GCAA 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2325780294 WHTFVITZHIWOMH-GJZGRUSLSA-N 378.502 0.259 0 50 GCAA CCn1ncnc1C(=O)N[C@@](C)(CNC(=O)[C@H]1CCCCN1C(C)=O)C1CC1 2325823201 JSWWDPPXFLPSNG-BEFAXECRSA-N 390.488 0.714 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N[C@H]4CCCCNC4)cc3C2=O)C(=O)N1 2325897541 YYTOEKMJVISIDF-GOEBONIOSA-N 384.436 0.320 0 50 GCAA CS(=O)(=O)CCC(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356141543 GVUHFEKEUYQGIO-GOSISDBHSA-N 379.482 1.000 0 50 GCAA O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2 881388 DBRMYWKPLOTMAY-GDNBJRDFSA-N 389.458 0.443 0 50 GCAA CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 95377292 HANVPSVKSRJRHM-UONOGXRCSA-N 382.486 0.823 0 50 GCAA COCCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1 95379209 CZUMTOOYBLSULI-CQSZACIVSA-N 383.470 0.304 0 50 GCAA COCCn1cncc1CN1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 96149201 BFTRKNGZORKXFU-KXBFYZLASA-N 378.473 0.527 0 50 GCAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NC(C)(C)C)c2=O)CCCC3)no1 169763865 QZTJWHTXXXIYBN-UHFFFAOYSA-N 375.429 0.873 0 50 GCAA Cc1nc(CN2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)no1 222792419 YYRJRILWHFJVJX-UHFFFAOYSA-N 382.424 0.741 0 50 GCAA O=C(c1n[nH]c(=O)c2ccccc12)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299777005 JAUIESXIIUEWME-DVNRBFFJSA-N 385.420 0.552 0 50 GCAA NC(=O)c1cncc(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)O4)cc2)n1 534589598 WNFWJFAXEMTUOM-UHFFFAOYSA-N 381.392 0.957 0 50 GCAA Cc1c([C@@H](C)NC(=O)Cn2cc(C[C@H]3NC(=O)NC3=O)nn2)oc2ccccc12 952746506 OVNJRPIQLDMIFP-BXUZGUMPSA-N 396.407 0.961 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1-c1nc[nH]n1 1704305234 PBENBFPTPXCKIX-FZMZJTMJSA-N 379.442 0.108 0 50 GCAA Cn1ccnc1C(=O)N1CCc2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](O)C4)cn2CC1 1875244957 CWSHZECTKVAKBH-FICVDOATSA-N 398.467 0.443 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)N4CCC[C@H]4C(=O)O)cccc3C2=O)C(=O)N1 2325896672 DGQHWRDQDZXJIL-KGLIPLIRSA-N 385.376 0.137 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCC3)c1 19790903 IMCMNRICUILRJH-IBGZPJMESA-N 397.479 0.914 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnn(C)c1 20451042 JUTNYXLLUOMAHW-KRWDZBQOSA-N 385.468 0.478 0 50 GCAA O=C(N1CCOCC1)N1CCC(n2ccnc2-c2cc3n(n2)CCNC3)CC1 72429779 FQQVRIWKSUYDSD-UHFFFAOYSA-N 385.472 0.939 0 50 GCAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCOC[C@@](O)(CN2CCCC2)C1 77452068 ISEFFLXMPDAGFC-HXUWFJFHSA-N 375.469 0.553 0 50 GCAA O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)N1CC[C@H](CO)[C@H](O)C1 170617012 LJRDIRRSGMDGBY-CZUORRHYSA-N 383.470 0.582 0 50 GCAA C[C@@H](CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)N1CCOCC1 190202559 RBLMKFGQBJZXJN-RXVVDRJESA-N 390.528 0.986 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)CCCn2ccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216215656 RDNYOPHGPDLEBJ-CABCVRRESA-N 382.486 0.156 0 50 GCAA Cc1ccnn1CC(=O)N1CCN(C(=O)C(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 216225241 OPOMGTUTRJJCBT-KGLIPLIRSA-N 382.486 0.074 0 50 GCAA O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1C[C@@H](O)CN1 238011902 JCMDUZBHZCLYIQ-OWCLPIDISA-N 387.402 0.918 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)Nc1nnc([C@@H]2CCCO2)s1 252480283 BZILAPZWBVLVOT-LBPRGKRZSA-N 375.458 0.940 0 50 GCAA Cc1nc(CCNC(=O)N2CCC3(CC2)NC(=N)NC3=O)nc2c1CCCC2 426531823 QYNDEOXGXCXHSP-UHFFFAOYSA-N 385.472 0.405 0 50 GCAA NC(=O)CC[C@@H]1CCCN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)C1 888097384 HRMGVNZEMIHQTO-ZDUSSCGKSA-N 388.472 0.614 0 50 GCAA C[C@H]1CN(S(=O)(=O)CCNC(=O)N2CCc3ccnc(O)c3C2)C[C@H](C)O1 888102473 OWSRYBIVGGNNHW-STQMWFEESA-N 398.485 0.294 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@H]1O 1529105103 WMPONGQIBYLRDK-UONOGXRCSA-N 384.454 0.059 0 50 GCAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCN(c4ncccc4C(N)=O)CC3)c12 1529179966 HDSZTMOMKSUROE-UHFFFAOYSA-N 395.423 0.795 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCC(c3ccncn3)CC2)C[C@H]1NS(C)(=O)=O 1857690442 CUKNDOVLNJJIRM-USXIJHARSA-N 396.513 0.916 0 50 GCAA NCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCc3cc[nH]n3)cc12 1857695875 CDYFYTFMVCGLRC-UHFFFAOYSA-N 389.481 0.750 0 50 GCAA CCc1nc(CN(C)C[C@H](O)C2CCN(C(=O)c3c[nH]c(=N)s3)CC2)no1 1857738005 NAEXXAKFMPBXLO-LBPRGKRZSA-N 394.501 0.846 0 50 GCAA CCOc1ccc(-n2nc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(=O)cc2C)cc1 1857798194 TZEAYETUBVDALB-CQSZACIVSA-N 384.392 0.475 0 50 GCAA Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCC[C@H]4CO)cn3CC2)cc(O)n1 1875250104 XXMWAQGONCKPOX-HNNXBMFYSA-N 399.451 0.588 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cccc(S(C)(=O)=O)c3)C2)cc[nH]1 1875397765 NBMGZFAOAZSOFN-CVEARBPZSA-N 391.497 0.337 0 50 GCAA CCC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)c1nnc(O)cc1C)CCO2 2325784794 JZVUPBFAUVLYLZ-UHFFFAOYSA-N 396.469 0.900 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)N4CCCC[C@H]4C(=O)O)cccc3C2=O)C(=O)N1 2325897470 XUTRIVCMIJELIV-GJZGRUSLSA-N 399.403 0.527 0 50 GCAA Cn1[nH]c(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)nc1=O 2356135280 XEPHJOBAPGUBKK-SNUQEOBHSA-N 377.445 0.009 0 50 GCAA Cc1cccc(N=c2[nH]c(CN3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)nc(=N)[nH]2)c1 2356156089 QRULRSBVLHYAOX-OLPIVMHESA-N 382.468 0.730 0 50 GCAA CCOC(=O)CN(C)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)N(C)C1=O 11969690 UOXWBKBUOHQIFQ-LJQANCHMSA-N 376.409 0.733 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O 14744933 PVAPOLQBLLRBRT-LSDHHAIUSA-N 378.860 0.620 0 50 GCAA O=C1NCC(=O)N2CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C[C@@H]12 65454077 IOVVECUCFUQOQQ-JTQLQIEISA-N 389.305 0.706 0 50 GCAA COCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CN1CCOc2ccccc2C1 82098333 YONRMSYTJIKCNE-HOTGVXAUSA-N 379.432 0.583 0 50 GCAA CN(C)c1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)cn1 82125975 NTPSQLZTGJGRGM-UHFFFAOYSA-N 378.502 0.799 0 50 GCAA COc1ccc(CN2CCN(C)C(=O)C2)c(OC[C@@H](O)CN2CCCC2)c1 95501251 PBKGBYOKFIGTNS-KRWDZBQOSA-N 377.485 0.805 0 50 GCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 95513016 GQIHPLHAZJRSPP-AWEZNQCLSA-N 387.396 0.294 0 50 GCAA Cc1nc2nc[nH]n2c(=O)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 140015060 CNUPGSJNVMTLDJ-UHFFFAOYSA-N 388.409 0.654 0 50 GCAA CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)c(F)c2)C1 285661880 YVBWHHYOKGQAMZ-NSHDSACASA-N 394.446 0.568 0 50 GCAA CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 377346972 RLJDOWKLZUSCNN-KRWDZBQOSA-N 397.479 0.925 0 50 GCAA CNC(=O)C[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 484874219 CDUKTQLRIJCHBN-KPHNSTPASA-N 399.447 0.533 0 50 GCAA CC(=O)N1CCO[C@H](CNC(=O)N2CCN(c3ncccc3Cl)CC2)C1 584886676 DWPSVYVIEIKLBD-CQSZACIVSA-N 381.864 0.814 0 50 GCAA N=c1nn[nH]n1CC(=O)N1CCC[C@@H](CNC(=O)Cn2ccc3ccccc32)C1 827860975 VJHLBOOBEVNUAI-AWEZNQCLSA-N 396.455 0.095 0 50 GCAA CN(C)Cc1csc(CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1565531117 XSXYDMCAOUUABI-GJZGRUSLSA-N 376.548 0.141 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(Cn4nnnc4C)cc3)C[C@H]2O)n[nH]1 1704280589 MNPHDPQGFSMTGC-SJLPKXTDSA-N 381.440 0.737 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857724900 RGAKYWYCGIYYAQ-LBPRGKRZSA-N 397.501 0.230 0 50 GCAA Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)ccc21 1857740643 RYYQRZNYQXZROQ-PBHICJAKSA-N 393.421 0.243 0 50 GCAA CC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)Cc1c(C)nn(C)c1C)CCO2 2325785230 LGEMULWIMMJYRN-UHFFFAOYSA-N 396.513 0.985 0 50 GCAA COCc1nc(CC(=O)NC[C@@H]2C[C@H](C(=O)N3CCO[C@@H](C)C3)CO2)cs1 2332237958 SBJVLGFTJOXKIN-YDHLFZDLSA-N 397.497 0.601 0 50 GCAA O=C(NCc1cc(CNC(=O)[C@H]2CCS(=O)(=O)C2)ccn1)c1ccc[nH]1 2356146075 QEHUKLQJAPLIRH-ZDUSSCGKSA-N 376.438 0.391 0 50 GCAA Cn1nccc1CCC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(F)CC2)C[C@@H]1O 2356155574 IPOIXVUZQADQSD-JQFCIGGWSA-N 380.464 0.959 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCSC)c1OC 15076441 NSAHXFXGHQFNOP-AWEZNQCLSA-N 381.498 0.874 0 50 GCAA Cc1c(CNC(=O)c2cnn(C)c2C(=O)NCc2cnn(C)c2C)cnn1C 20616268 AHVPCVNWYPUMCX-UHFFFAOYSA-N 384.444 0.364 0 50 GCAA COc1cccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 65365143 PBMQDTWCIPJVFX-GFCCVEGCSA-N 383.470 0.574 0 50 GCAA Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O 77337559 QWCAYVVUMBQAMT-UONOGXRCSA-N 381.454 0.306 0 50 GCAA CCN1CCN(C(=O)c2cccc(-n3cnnc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 77485239 DMODCHHTKNDCFC-CVEARBPZSA-N 375.454 0.211 0 50 GCAA COc1cc(CN2CCC(O)CC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 95526891 NBZBXPXXTPPLPR-IBGZPJMESA-N 394.512 0.848 0 50 GCAA COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 100170998 OREDNIMQUOTMOS-PWSUYJOCSA-N 394.181 0.698 0 50 GCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1c(=O)cnc3ccccc31)C2 247835581 IZQXKQSHUUESSY-CABCVRRESA-N 384.436 0.492 0 50 GCAA O=S(=O)(NC[C@H](N1CCNCC1)C(F)(F)F)c1c[nH]c2ncccc12 261696665 HWJBTUSPSWJBNA-LBPRGKRZSA-N 377.392 0.677 0 50 GCAA CC(=O)N1CCO[C@@H](CNC(=O)N2CCN(c3ncccc3Cl)CC2)C1 584886675 DWPSVYVIEIKLBD-AWEZNQCLSA-N 381.864 0.814 0 50 GCAA C[C@@H]1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)[C@H](C)CN1CCO 888097203 DQTYLVUGXXGVCZ-HUUCEWRRSA-N 390.488 0.259 0 50 GCAA CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CCCCC3)C2)C1 1329444474 WNDNHKMOVICOTO-HZPDHXFCSA-N 385.530 0.955 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)NCC3(Cn4cccn4)CC3)CC2=O)s1 1857715833 KJIDGPMPSMKJGF-LBPRGKRZSA-N 390.469 0.831 0 50 GCAA CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1875278241 KXZOOAYHIHUKTP-UPJWGTAASA-N 377.532 0.474 0 50 GCAA CCc1c(C)nc2nc(=NC(=O)c3ccc(Cn4cnnn4)cc3)[nH]n2c1O 1940195468 FTYSMUDAZNPAFX-UHFFFAOYSA-N 379.384 0.410 0 50 GCAA Cn1cc(-n2cc(C(=O)NCc3ccnc(N4CCNCC4)c3)ccc2=O)cn1 2325795391 CXLOMOWFTBYIGP-UHFFFAOYSA-N 393.451 0.306 0 50 GCAA C[C@]1(CNC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)CCNC1 2325895500 BUNFFTHGFBCZGE-QRWLVFNGSA-N 384.436 0.177 0 50 GCAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c(-n4cnnc4)n3)C1)CC2 2356159237 RPHKXYCCSMSMTK-QGZVFWFLSA-N 381.400 0.310 0 50 GCAA CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(NC(C)=O)cc1 2192836 UZGIHNWBRYWGDI-UHFFFAOYSA-N 386.372 0.980 0 50 GCAA CCS(=O)(=O)c1ncc(CN(C[C@@H]2CCC(=O)N2)C(C)C)n1CCOC 12299722 LAOIMNZAAVLPOO-AWEZNQCLSA-N 386.518 0.812 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@H]1CCn1cccn1 19638011 RXTJMJYHTFVSAX-INIZCTEOSA-N 388.476 0.173 0 50 GCAA C[C@@H](Cc1cccs1)NC(=O)Cn1ncc(N2CCN(C)CC2)cc1=O 19760352 PBEJYKBZTOABEG-AWEZNQCLSA-N 375.498 0.804 0 50 GCAA CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72418534 SZAWUSXBADTVHA-UHFFFAOYSA-N 383.514 0.954 0 50 GCAA Cc1nc(N(C)C)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 72446854 WXWDFAUQSJQZGJ-UHFFFAOYSA-N 382.468 0.930 0 50 GCAA O=C([C@H]1CCCN1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77378632 HVOOGRXHZQUPKJ-MRXNPFEDSA-N 379.482 0.344 0 50 GCAA Cn1ncc(N2CCN(C(=O)CN3C(=O)CCc4ccccc43)CC2)cc1=O 95511982 WXKWKVJZQNDURP-UHFFFAOYSA-N 381.436 0.408 0 50 GCAA O=C(Cn1nnnc1CN1CCCC1)NCc1nc(Cc2ccccc2)no1 95512357 SLPJEKOWYNIADG-UHFFFAOYSA-N 382.428 0.559 0 50 GCAA Cc1ccn2cc(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)O)C3)nc2c1 96141903 MHCUBRJSGZGQAM-CXAGYDPISA-N 378.454 0.421 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)C2=O)cn1 117695938 KLINXYWKGJROOK-ZWKOTPCHSA-N 395.463 0.875 0 50 GCAA O=C(CCc1ccc(O)cc1)N1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 219575060 KEQXNHQRCPOAJQ-SJORKVTESA-N 392.477 0.571 0 50 GCAA O=C(C1CCCC1)N1CC(S(=O)(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 329714361 SWEONIRWQINIOJ-OAHLLOKOSA-N 398.506 0.835 0 50 GCAA Cc1cc(O)nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)n1 426674124 GHSNMSYBMBGDCM-INIZCTEOSA-N 383.452 0.806 0 50 GCAA O=C(C1CC1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(CC2(O)CCC2)CC1 888103574 NPORGRQQTFGUOS-SJORKVTESA-N 376.501 0.771 0 50 GCAA O=C1C[C@@H](C(=O)N2CCS(=O)(=O)CCO2)CN1CCc1ccc(F)cc1 1348656257 VZBUQDRBHWGRSA-CQSZACIVSA-N 384.429 0.405 0 50 GCAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2cccc(C(=O)NC)c2)CC[C@H]1O 1704359627 WLQLZDTWYFXXBC-PBHICJAKSA-N 384.454 0.673 0 50 GCAA C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1C(=O)c1ncn(C(C)(C)C)n1 1775990448 XKFXQSJRLOAICG-DGCLKSJQSA-N 397.501 0.187 0 50 GCAA CN(C)S(=O)(=O)N1CCO[C@]2(CCN(C(=O)CCc3cccc(F)c3)C2)C1 1857684445 OCIGKLZWKSMJMJ-SFHVURJKSA-N 399.488 0.868 0 50 GCAA O=C(CCn1cnnc1)N[C@@H]1C[C@H](C(=O)NCc2c(F)cccc2F)C[C@H]1O 1875243197 VTLCYTBYNCQOLB-IUIKQTSFSA-N 393.394 0.519 0 50 GCAA O=CN[C@H](Cc1ccsc1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)CC1 1875321771 UXHHPTYRMUUQHC-HZPDHXFCSA-N 399.538 0.822 0 50 GCAA C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C1CCN(c2nccnc2F)CC1 1875333891 OXGJWRCIMYWTRW-JTQLQIEISA-N 397.432 0.891 0 50 GCAA CCN1C[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1=O 1875334792 FHHLACSUVSVSHV-JLTOFOAXSA-N 398.467 0.856 0 50 GCAA CN(C)C(=O)[C@H]1c2cnn(C)c2CCN1C(=O)Cn1ccc2ccccc2c1=O 1875394534 LOVNAHTUYKCPRT-LJQANCHMSA-N 393.447 0.949 0 50 GCAA COc1cccc2nc[nH]c(=NC[C@H]3C[C@@H](O)CN3c3cc(N(C)C)ncn3)c12 1875399314 VXLQIXKYJAIJRO-ZIAGYGMSSA-N 395.467 0.968 0 50 GCAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCO1 2325887065 SMSFAFLRCMVUPK-ZBFHGGJFSA-N 385.420 0.699 0 50 GCAA Cc1nnnn1CCC(=O)N1CCO[C@@H]2CC[C@H](C(=O)N3CCCC3)C[C@H]21 2356136638 COYSXVRJGZSCEO-ARFHVFGLSA-N 376.461 0.390 0 50 GCAA Cc1cc(CC(=O)N[C@H]2CC[C@H](C(=O)NCc3cn(C)nc3C)C[C@@H]2O)on1 2356148314 QMOSNUONCJKGCL-JQFCIGGWSA-N 389.456 0.530 0 50 GCAA Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 2337290 KWIXMNHYJRRAHA-UHFFFAOYSA-N 394.438 0.630 0 50 GCAA O=C1CN(Cc2cn(C[C@H]3CCCN(C4CCSCC4)C3)nn2)CCN1 23478542 JMPJNAUGLOECMA-HNNXBMFYSA-N 378.546 0.818 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3ccc4c(c3)ncn4CCO)C2)n[nH]c1=O 67847730 PVJULOMYXKRIFZ-AWEZNQCLSA-N 384.440 0.953 0 50 GCAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@H]1CC(=O)N(CCO)CCO 72154383 IQKCTJGFQTYKTE-IBGZPJMESA-N 385.464 0.344 0 50 GCAA COCCN(C)CCN1CC2(CCN(C(=O)c3ncoc3C)CC2)OC1=O 77438188 SSKCNZGFGHJYBA-UHFFFAOYSA-N 380.445 0.988 0 50 GCAA O=C(CCn1cc(Cl)cn1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77555654 FQJGUXDVUIAIPL-CABCVRRESA-N 386.905 0.646 0 50 GCAA CN(C)CC(=O)N1CCN(C/C=C/c2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 82083927 IQSFCEQXOWLNHN-UYLIBMQOSA-N 395.500 0.710 0 50 GCAA Cc1cc(C(=O)NCCNC(=O)c2cccnc2)cc(S(N)(=O)=O)c1C 97514991 DNLDICAOZHEFQB-UHFFFAOYSA-N 376.438 0.506 0 50 GCAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCOC[C@@H]2C(=O)O)c1 268970129 GDQFWNDTOPJKAI-SNVBAGLBSA-N 393.215 0.022 0 50 GCAA CN(C)CCCOC1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 368637807 LJTIZVLAYJPORJ-LPHOPBHVSA-N 391.516 0.899 0 50 GCAA Cc1cc(S(=O)(=O)N2CCO[C@@]3(CCN(c4ccncc4F)C3)C2)n(C)n1 1857695880 CGZOPAWPLXXDAV-QGZVFWFLSA-N 395.460 0.933 0 50 GCAA COC(=O)NCC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)Cc3cc(C)on3)C2)C1 1875322069 HOTNRUVELIQTDL-CABCVRRESA-N 392.456 0.969 0 50 GCAA O=C(O)C[C@@H](Cc1cn(CC(=O)O)nn1)NC(=O)c1cnc(-c2ccccc2)o1 1875359545 IJBUAZYAHKBRON-GFCCVEGCSA-N 399.363 0.834 0 50 GCAA O=C(c1cccc2ccccc12)N1CCN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]2C1 14543014 XQDORDRMYUWMDW-FHLIZLRMSA-N 379.416 0.468 0 50 GCAA CS(=O)(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20513986 ABJNNZOHMMAQDH-MRXNPFEDSA-N 381.498 0.957 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)c2cc(C3CC3)no2)[C@H]2CS(=O)(=O)C[C@H]21 72473643 XCBSQBXCFAIXDS-KGLIPLIRSA-N 381.454 0.658 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccnc(N2CCC3(CCCC3)C2)n1 77320738 LGJIAHXVIGTYSZ-LSDHHAIUSA-N 377.514 0.822 0 50 GCAA CCC(=O)N1CCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 91625356 XRBLROIJXIOOCH-INIZCTEOSA-N 390.488 0.788 0 50 GCAA O=C1C[C@H](C(=O)O)C2(CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)N1 95362467 MLDDSOIMWIJWOY-CYBMUJFWSA-N 390.827 0.903 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3ccccn3c1=O)C2 95376280 IBJLUGZPBPETAC-QWHCGFSZSA-N 376.438 0.191 0 50 GCAA O=C(CCn1cnnn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95379055 NCBWQFYPODGTFE-CWFSZBLJSA-N 396.451 0.881 0 50 GCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[C@H](N2CCCC2)C1 171447190 KSKZWGJIQPYQDT-SFHVURJKSA-N 382.464 0.755 0 50 GCAA Cc1cc(C)n(CC(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 223029079 LFPGXSXVTATRMM-IBGZPJMESA-N 383.456 0.944 0 50 GCAA Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2ccc(C(F)(F)F)n2)cn1 282430840 RQXVIJORWVDOGJ-FTJNGKRUSA-N 375.376 0.968 0 50 GCAA CN1C[C@H](C(=O)NC(C)(C)C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)CC1=O 333663696 BLMZLBHJDCFZCF-ZIAGYGMSSA-N 392.500 0.076 0 50 GCAA CS(=O)(=O)NCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 426359853 NOPWEFUDGPWLDH-IBGZPJMESA-N 393.509 0.619 0 50 GCAA C[C@@H](NC(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1-n1cccn1 426477950 FHZNBJRVYIMLCU-CYBMUJFWSA-N 378.458 0.464 0 50 GCAA CN1CC[C@]2(C(=O)NCc3n[nH]c4c3CCC4)CCCN(CC(=O)O)[C@H]2C1 1857674278 ASSIPVAYOFIRFL-QFBILLFUSA-N 375.473 0.386 0 50 GCAA N=c1ccnc(N2CCC3(CC2)OCCc2cc(C(=O)NCCO)sc23)[nH]1 1857706144 BKDGKIIXACLCHY-UHFFFAOYSA-N 389.481 0.741 0 50 GCAA O=C1CN(c2ccc(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cc2)C(=O)N1 1857728765 CHMZTNDZJMBDJG-KUHUBIRLSA-N 384.392 0.306 0 50 GCAA Cc1ncnc2c1C[C@@H](C(=O)N1CCN(C(=O)c3cn(C4CC4)nn3)CC1)CC2 1875295716 OPIFNPQQYHSGMC-AWEZNQCLSA-N 395.467 0.801 0 50 GCAA CCc1ccc(OCC(=O)N2CC3(C2)[C@@H](C(=O)N(C)C)CCS3(=O)=O)cc1 1875396047 UGXHJHOFEDKGJY-MRXNPFEDSA-N 394.493 0.732 0 50 GCAA CC(C)n1cccc1C(=O)N[C@@H]1CN(C(=O)c2cn(C3COC3)nn2)C[C@@H]1F 2325829592 NMJBLFRUEQWEKK-UONOGXRCSA-N 390.419 0.824 0 50 GCAA NCC1(O)CCN(C(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)CC1 2356146167 VECRXDLBGFSQBV-ZJTDPSCFSA-N 384.480 0.631 0 50 GCAA Cn1[nH]cnc1=NCCNC(=O)c1cc2c(s1)CCOC21CCNCC1 2356162281 GBLRJNJRDMKRIF-UHFFFAOYSA-N 376.486 0.292 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1cccc(Cl)c1 12531751 LEXPJRJTPZQRPO-UHFFFAOYSA-N 389.843 0.957 0 50 GCAA COCC(=O)N1CCCN(Cc2cccc(C(=O)Nc3ncn(C)n3)c2)CC1 65525884 SMXCKCOSLHPZGU-UHFFFAOYSA-N 386.456 0.748 0 50 GCAA CNC(=O)C(C)(C)N(C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71755444 CJAGMOWTPPHUSJ-CQSZACIVSA-N 390.484 0.959 0 50 GCAA CCCc1cc(C(=O)N2CCn3nc(CN(C)C[C@H](O)CO)cc3C2)ccn1 72473775 QPRMHPAQZLANGT-IBGZPJMESA-N 387.484 0.672 0 50 GCAA Cc1ccc(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 77439126 MFJXAWVTSHCBEG-QWHCGFSZSA-N 378.479 0.975 0 50 GCAA CN1CCN(C[C@@H]2CN(Cc3cnc(-c4ccccn4)nc3)C[C@@H]2CO)CC1 92107966 NYNSCOBVIFNVRW-RTBURBONSA-N 382.512 0.826 0 50 GCAA O=C(Cn1nccn1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96180194 QAUABVMTZGYCAU-UHFFFAOYSA-N 381.444 0.856 0 50 GCAA COc1ccc(N2C[C@@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)CC2=O)cc1 262246856 PSIQBJGCDZPCNR-OCCSQVGLSA-N 391.424 0.486 0 50 GCAA C[C@@H](C(=O)N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329863439 RXARHLFILRTWMQ-KRVHDQEBSA-N 392.452 0.332 0 50 GCAA Cn1cc(-c2ccnc(C3CCN(C(=O)C4=NN5CCCN=C5N4)CC3)n2)cn1 952895652 ZFQRXJALHVZSNP-UHFFFAOYSA-N 393.455 0.562 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(c3ncnc(C)c3C)CC2)C1 952985114 BUKIQFTYTBKXCL-INIZCTEOSA-N 383.518 0.819 0 50 GCAA Cc1cnc(C(=O)N2C[C@H]3CN(C4CSCCSC4)C[C@@]3(CO)C2)cn1 1772806512 FVUQBGURXNKGNB-KDOFPFPSSA-N 394.566 1.000 0 50 GCAA CN1CC[C@]2(C(=O)NCCCc3cnn(C)c3)CCCN(S(C)(=O)=O)[C@H]2C1 1857683811 ZABNGMBLWACYAC-FUHWJXTLSA-N 397.545 0.215 0 50 GCAA O=C(O)c1cc(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)ccc1O 1857714566 FFWHWPLVCBVTEA-CJNGLKHVSA-N 382.394 0.202 0 50 GCAA Cn1cc(C(=O)NCCOCCn2cc(-c3ccc(C(=O)O)cn3)nn2)cn1 1875326541 KVHUKZIKZXEPRI-UHFFFAOYSA-N 385.384 0.218 0 50 GCAA COCC(=O)NC[C@H]1[C@@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@H]12 1875330032 KIMJGGLZAXHDBG-XYYAHUGASA-N 380.470 0.202 0 50 GCAA Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)NC[C@]34CNC[C@@H]3C4)cc12 1875393887 OSQQHGOIWOMPJD-UGSOOPFHSA-N 391.497 0.979 0 50 GCAA CN1CCN(C2(C(=O)N[C@H]3CCN(C(=O)c4ccccn4)C3)CCCC2)CC1 2325733633 FCVFLKOCVQPHCR-KRWDZBQOSA-N 385.512 0.973 0 50 GCAA CNC(=O)c1cc(NC(=O)[C@H]2CNC[C@H](C(F)(F)F)O2)cc(C(=O)NC)c1 2325872608 GGPLLGLYPPRILX-VXGBXAGGSA-N 388.346 0.264 0 50 GCAA CCCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C 1790187 FWTCNTXXDMLIAA-UHFFFAOYSA-N 376.461 0.705 0 50 GCAA O=C(NCCCN1CCOCC1)c1cn(C[C@@H]2COc3ccccc3O2)nn1 19224539 CEMOXVYSERCSSH-OAHLLOKOSA-N 387.440 0.570 0 50 GCAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20601231 HPBNKBHZGYQERZ-INIZCTEOSA-N 389.452 0.602 0 50 GCAA O=C1NCCN(Cc2ccc(F)c(F)c2)[C@H]1CC(=O)N1CCc2n[nH]cc2C1 72121675 QOAALVOAWYXAIG-KRWDZBQOSA-N 389.406 0.963 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(O)CC2)c(OC)c1 72159166 AAOXUMLODDCILZ-KRWDZBQOSA-N 391.468 0.378 0 50 GCAA O=C(c1cnn2cccnc12)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72432358 QXPHITXYPYQCQG-CABCVRRESA-N 375.454 0.063 0 50 GCAA CCOC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 82096686 UDOBCXIDGHQZSR-ZFWWWQNUSA-N 376.392 0.890 0 50 GCAA COc1cc(CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)cc2c1OCO2 91738151 MJAHUSUBIPJHKM-IAGOWNOFSA-N 377.485 0.712 0 50 GCAA CCNC(=O)CN1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 91934538 NUQDSSOULSJTEG-LJQANCHMSA-N 388.512 0.558 0 50 GCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1c(C)nc(=O)[nH]c1C)C2 95506575 DUFYUAPNJBSGOL-LSDHHAIUSA-N 376.457 0.415 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)CSC)CN1Cc1ccc2c(c1)OCCO2 95525360 UUNZHFSIQMZHQT-KGLIPLIRSA-N 379.482 0.626 0 50 GCAA CCS(=O)(=O)CCNC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1 95529280 AHTXQVNXWHLBRH-UHFFFAOYSA-N 378.476 0.461 0 50 GCAA CN(C)C(=O)Cc1ccccc1NC(=O)N1CCN(CCn2cncn2)CC1 96165942 BBFFWVUEVIZLIZ-UHFFFAOYSA-N 385.472 0.759 0 50 GCAA Cc1c(C(=O)N(C)[C@@H]2CCNC2)cc(Br)cc1S(N)(=O)=O 179085212 WTFCUWIOOGCELR-SNVBAGLBSA-N 376.276 0.839 0 50 GCAA CN(CCO)S(=O)(=O)c1cccc(C(=O)NCc2cncn2C2CC2)c1 215280290 HKRXRXZHMPGWDM-UHFFFAOYSA-N 378.454 0.761 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 223961341 ZKLKOFSWHIXUFO-XLNGHYISSA-N 379.482 0.624 0 50 GCAA COc1ccc(F)cc1CN1CCN(C(=O)N[C@H](C)c2nnnn2C)CC1 240897323 ISERRRDDVQSSFF-GFCCVEGCSA-N 377.424 0.946 0 50 GCAA CC(=O)N[C@](C)(C(=O)NCC1CCOCC1)c1ccc(S(C)(=O)=O)cc1 282037434 SBAUWMNAOQEBIF-SFHVURJKSA-N 382.482 0.984 0 50 GCAA COCCN1CN(S(=O)(=O)c2cc(C(=O)O)cc(Cl)c2C)CC1=O 282199916 LPBKTUVKNCPLAH-UHFFFAOYSA-N 376.818 0.783 0 50 GCAA C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCC[C@@](O)(C(=N)O)C1 332528669 GGKJBPQYLVILJX-LIRRHRJNSA-N 376.457 0.791 0 50 GCAA CS(=O)(=O)N1CCn2nc(CNC(=O)Cc3c[nH]c4ccccc34)cc2C1 534674589 FPBCROIJOGOSLD-UHFFFAOYSA-N 387.465 0.999 0 50 GCAA O=S(=O)(c1ccc2nc[nH]c2c1)N1CCC(N2CCN(CCO)CC2)CC1 952967104 XZNSQHQICLNHCS-UHFFFAOYSA-N 393.513 0.326 0 50 GCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(=O)N3CCCC3)cc1)C2 1704311138 ZMVLZLXBDZXASG-MSOLQXFVSA-N 387.480 0.977 0 50 GCAA Cc1nc2ccc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2nc1C 1704337453 ZQQSXLHNJKWCQB-WMLDXEAASA-N 392.481 0.883 0 50 GCAA COCC(=O)N1C[C@H]2CN(C(=O)c3cccc(NC(C)=O)c3)C[C@@]2(CO)C1 1772709300 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TUXOEFQEAMAUFY-UHFFFAOYSA-N 383.290 0.429 0 50 GCAA Cn1c(=O)c2c(ncn2CN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O 56918226 DYPCGRYKWQCEKT-UHFFFAOYSA-N 388.859 0.867 0 50 GCAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)C1CCS(=O)(=O)CC1)CC2 67820711 DUGMPRNAKLEQBT-UHFFFAOYSA-N 381.454 0.701 0 50 GCAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 72143124 HHAZXHDHVCJEQZ-KRWDZBQOSA-N 385.468 0.753 0 50 GCAA O=C1CN(CC(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)C(=O)N1 95508406 YQDCIMUNFIPPCR-OAHLLOKOSA-N 382.424 0.584 0 50 GCAA Cc1cc(N)n(CC(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 96133196 VAPISCVLGPFRQI-UHFFFAOYSA-N 383.460 0.553 0 50 GCAA Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[C@@H](Cc1ccccc1)C(=O)O 170624307 UDJBJNOFBGYETC-ZDUSSCGKSA-N 381.392 0.863 0 50 GCAA Cc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C2)s1 262968440 RKGGTYCGUGHTDA-LLVKDONJSA-N 376.456 0.244 0 50 GCAA Cc1noc2ncc(S(=O)(=O)N[C@H]3CCCN(c4ccnn4C)C3=O)cc12 328610974 JVPVPUKLUWIADK-ZDUSSCGKSA-N 390.425 0.739 0 50 GCAA Cc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N3CCCS3(=O)=O)CC2=O)o1 375154822 VMVXJYJMWFFLJQ-MRXNPFEDSA-N 383.470 0.823 0 50 GCAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565528191 JLCFQQJQETURKJ-GJZGRUSLSA-N 376.486 0.673 0 50 GCAA COc1cccc(CN2CCOC[C@@H](C(=O)O)C2)c1OCCN1CCOCC1 1772817602 GCWHHPNKONXTKE-KRWDZBQOSA-N 394.468 0.939 0 50 GCAA CNC(=O)CN(C[C@@]1(OC)CCOC1)C(=O)c1cc(-n2ccnn2)ccc1F 1857527283 STJOVTMUVPZYBW-SFHVURJKSA-N 391.403 0.400 0 50 GCAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)CCc2nccn2C)ncn1 1857527535 GWVRGMRFFXBNQF-HUUCEWRRSA-N 387.488 0.355 0 50 GCAA Cc1ncc(C(=O)N[C@@H]2CC[C@H](C(=O)N(C)Cc3ncc(C)[nH]3)C[C@H]2O)cn1 1875248595 ZNESVRBHPVYIRJ-NUEKZKHPSA-N 386.456 0.735 0 50 GCAA O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O)NCCO 2049252075 LEYNGOBTFQPDRU-CYBMUJFWSA-N 397.387 0.759 0 50 GCAA CC(C)[C@H](NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895690 GSRNUPWXGFRTBA-HIFRSBDPSA-N 387.392 0.287 0 50 GCAA Cn1ncc2ncc(C(=O)NC3CCN(C4CCS(=O)(=O)CC4)CC3)cc21 2356145395 AKJFGBUNUILMOR-UHFFFAOYSA-N 391.497 0.740 0 50 GCAA CN(C)C(=O)c1nc(CN(c2cccc(-n3cccn3)c2)S(C)(=O)=O)no1 2356161238 LVRXVKILMQWBPN-UHFFFAOYSA-N 390.425 0.923 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C1 11955381 NTXOHKXJYUHHBO-SFHVURJKSA-N 399.499 0.286 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC1(CO)CC1)CO2 71759778 VCCNJLNTPONSSN-AWEZNQCLSA-N 377.441 0.291 0 50 GCAA Cc1nnsc1C(=O)N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72418116 FSMFNJMGAIYTPX-NEPJUHHUSA-N 384.483 0.097 0 50 GCAA Cc1nc[nH]c1CN1CCN(C(=O)c2ccccc2O)[C@H]2CS(=O)(=O)C[C@H]21 77338334 FJSGXCLDYQONEP-CVEARBPZSA-N 390.465 0.547 0 50 GCAA COCCN(C)CCN1CC2(CCN(C(=O)c3cnn(C)c3)CC2)OC1=O 77420260 GOOOMQGIJFFLNP-UHFFFAOYSA-N 379.461 0.425 0 50 GCAA CCNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)cn1 91625929 ZOWACTROCLDDJM-GXTWGEPZSA-N 382.490 0.251 0 50 GCAA CN1C[C@@H](C(=O)N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)NC1=O 91691072 OGXKTMWSWREUGV-KRWDZBQOSA-N 399.495 0.879 0 50 GCAA Cc1ccc(N(CC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)S(C)(=O)=O)cc1 221165167 JJIIWKZKTPPTSL-KRWDZBQOSA-N 381.454 0.814 0 50 GCAA CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 363513169 YKFMOCMDHWBJDT-SFHVURJKSA-N 386.496 0.960 0 50 GCAA CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 487370975 ROBXAIJPMHYJNL-RYUDHWBXSA-N 399.469 0.688 0 50 GCAA Cc1nc2ncnn2c(C)c1CCc1nc(CC(N)=O)nn1-c1ccncc1 826842162 MZJGWBMEITZIED-UHFFFAOYSA-N 377.412 0.530 0 50 GCAA Cc1ccc(S(=O)(=O)N=S2(=O)CCN(CCc3cn(C)nn3)CC2)cc1 859304690 QCWWFWZZOOSARU-UHFFFAOYSA-N 397.526 0.839 0 50 GCAA O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)N2CCCC2)CC1 952870253 UYQKPTFTTFXEDK-UHFFFAOYSA-N 394.453 0.079 0 50 GCAA O=C(NCC1CCN(C(=O)Cn2[nH]c3ccccc3c2=O)CC1)[C@H]1CCCO1 952969815 HCWJJYHXBXJVLK-QGZVFWFLSA-N 386.452 0.863 0 50 GCAA O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCS(=O)(=O)CCO1 1339323007 SJCBKCSYFNEXJX-UHFFFAOYSA-N 387.357 0.782 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1onc3c1CCCC3)C2 1565508613 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CC(C)c1nc(CNC(=O)CCn2nnnc2CN2CCOCC2)cs1 20992850 IQVZBUKMCWIKQI-UHFFFAOYSA-N 379.490 0.792 0 50 GCAA CCC(CO)(CO)NC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71762820 SPXJTHUSIGOFSG-AWEZNQCLSA-N 379.457 0.225 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(O)CC2)cc1OC 72164147 TZNYVTKQPDRZSF-INIZCTEOSA-N 391.468 0.378 0 50 GCAA NC(=O)CN1CC2(CCC1=O)CCN(Cc1ccccc1OCCO)CC2 91689981 VLBBUYQZDVUELC-UHFFFAOYSA-N 375.469 0.748 0 50 GCAA COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)cc1OC 95375420 FUNAAIIWHFYKDM-CYBMUJFWSA-N 376.409 0.828 0 50 GCAA CN1C[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)CC1=O 95531178 QCUVWLYVRZLPKM-AWEZNQCLSA-N 385.468 0.500 0 50 GCAA Cc1ccc2nc(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)O)C3)cn2c1 96147842 MIGSPJWXNOPODJ-CXAGYDPISA-N 378.454 0.421 0 50 GCAA Cc1ncnc(N2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1C 219264867 VVFCNRUYTBRXSO-UHFFFAOYSA-N 380.408 0.586 0 50 GCAA COc1ccc([C@H]2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3)cc1 263619502 YYFZOTLTDKYOJV-QGZVFWFLSA-N 387.392 0.431 0 50 GCAA CCc1nnc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1CC 277318064 XEQNWSGLZHYFKV-UHFFFAOYSA-N 379.490 0.995 0 50 GCAA CNc1cc(C)nc(-c2cccc(C(=O)N3CCN4CCNC(=O)[C@@H]4C3)c2)n1 426383452 YSMFYPHMQYXQMM-INIZCTEOSA-N 380.452 0.750 0 50 GCAA CN1C[C@@]2(C)CN(c3cc([C@H]4CCOC4)nc(NCCO)n3)C[C@@](C)(C1)C2 426699922 KTIZKNDKWULVKE-RYGJVYDSSA-N 375.517 1.553 0 50 GCAA COCCn1cc(C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCCO4)C2=O)nn1 886056928 UCTFDWXCXFRWIZ-AWEZNQCLSA-N 387.396 0.359 0 50 GCAA O=C(C1CC1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(CC2(O)CCC2)CC1 888103573 NPORGRQQTFGUOS-IRXDYDNUSA-N 376.501 0.771 0 50 GCAA Cc1noc(C)c1C(=O)NC[C@H]1CCCN(C(=O)c2cnc3nc[nH]n3c2=O)C1 952967758 LFVOBFNMCLKAMY-GFCCVEGCSA-N 399.411 0.305 0 50 GCAA Cc1cc(NCCNC(=O)CCCS(=O)(=O)N2CCCC2)n2ncnc2n1 1445099299 XURKRQFOKIZDTP-UHFFFAOYSA-N 395.489 0.167 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)OCC(=O)N1C 1529151835 FVVOBRRSWSNOGI-MOPGFXCFSA-N 396.447 0.838 0 50 GCAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1565506978 BGRQVFYAWCHBDT-UGSOOPFHSA-N 377.397 0.356 0 50 GCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCN2CCCC2=O)cc1 1565530612 KKGQJMIZJKOMLI-HOTGVXAUSA-N 375.425 0.451 0 50 GCAA NC(=O)Cc1nc([C@H]2CCc3ncnn3C2)n(-c2ccc3c(c2)OCCO3)n1 1857675025 IBHRCUQHFLJIDW-NSHDSACASA-N 381.396 0.388 0 50 GCAA O=C(N1CCOCC1)[C@]12CCCCN1C[C@@H](NS(=O)(=O)c1ccccc1)C2 1857682880 PSKOMHOPMIBSNJ-QFBILLFUSA-N 393.509 0.821 0 50 GCAA Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)n1 1857800173 MDZGLJIAYWOGNR-UHFFFAOYSA-N 379.442 0.875 0 50 GCAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2nc3ncc(Br)cn3n2)C1 1875382787 RHWQDCHXMBSREL-SNVBAGLBSA-N 393.245 0.928 0 50 GCAA Nc1cc(O)nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1 1940196599 UVCXNMFVDMBTAH-CVEARBPZSA-N 391.815 0.333 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCCC(=O)OC)CC[C@@H]1NC(=O)c1cn[nH]c1 2100482360 TWALJTQYDZNLBG-QEJZJMRPSA-N 380.445 0.783 0 50 GCAA Cc1ccnc(-n2ccc(=NC(=O)CN3CCN(c4ccncc4)CC3)[nH]2)n1 2325810262 FOAWNIZCSPYJMG-UHFFFAOYSA-N 378.440 0.548 0 50 GCAA Cc1nn2cccnc2c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 2325879448 VYQHQVJMNDUBNV-NSHDSACASA-N 390.425 0.142 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)Cc1nncn1C)CO2 71736067 VIQDVAHTQGRMIK-CQSZACIVSA-N 386.456 0.763 0 50 GCAA O=C(C(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccco1 72409887 XXUAGSZWDPGLBT-CABCVRRESA-N 389.433 0.367 0 50 GCAA Cc1ccc(C(N)=O)cc1NC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 95520709 CUFQNYRZZRIULY-CQSZACIVSA-N 380.470 0.431 0 50 GCAA COC(=O)[C@H](NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccn(C)n1 170605747 YPHYXPOPCXOVNV-OAHLLOKOSA-N 386.408 0.908 0 50 GCAA O=S(=O)(c1ccc(F)c(Cl)c1)N1CCn2nc([C@@H](O)CO)cc2C1 223115177 YFDFJWFPSUAHHB-AWEZNQCLSA-N 375.809 0.906 0 50 GCAA CN1CCN(c2cc(N3CC[C@]4(C3)C(=O)Nc3ccccc34)ncn2)CC1=O 369015286 FBGMGKLIQAIWAO-HXUWFJFHSA-N 378.436 0.855 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3CO)CC2)CCC1=O 824412368 IXKVRDOEHXRWAI-SFHVURJKSA-N 389.496 0.708 0 50 GCAA CC(C)c1nc(CN2CCC[C@@H](CNC(=O)CN3C(=O)CN(C)C3=O)C2)no1 827827463 HHSJJMXUSQDSEH-ZDUSSCGKSA-N 392.460 0.415 0 50 GCAA C[C@@H]1OCC[C@]1(O)Cn1cnc2c(N(C)C[C@H]3CCS(=O)(=O)C3)ncnc21 952961738 RGMDBOUTCJLNGW-AHIWAGSCSA-N 395.485 0.237 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(-n2cccn2)cc1 1704315762 VPRCRPGYQIGVIE-HOCLYGCPSA-N 378.454 0.509 0 50 GCAA CCCOCC(=O)NC[C@]1(C)CN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CCO1 1857532073 JEFSJKWETJGUSQ-JTDSTZFVSA-N 378.473 0.684 0 50 GCAA Cc1nc(CN2CCC3(CCc4c3nc(N(C)C)[nH]c4=NCCO)CC2)no1 1857692515 IVZKBSVXBRTEQR-UHFFFAOYSA-N 387.488 0.540 0 50 GCAA O=C1CN(c2ccc(C(=O)N3C[C@@H](O)[C@H](Cc4ccccn4)C3)cc2)C(=O)N1 1857720664 DUIOBTOHKOWZIJ-RHSMWYFYSA-N 380.404 0.813 0 50 GCAA COc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1OCCn1ccnc1 1875245668 KSEIGRNIIUEZMX-SJORKVTESA-N 386.452 0.918 0 50 GCAA CC(=O)NCC12CC(C(=O)Nc3ccc4ncnn4c3)(C1)C1(CCNCC1)O2 1875393146 HSNYPQWQOXLCQI-UHFFFAOYSA-N 384.440 0.475 0 50 GCAA O=C(O)CN(CC1CC1)C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325895457 ANWXOKTVLZHYCC-OAHLLOKOSA-N 399.403 0.384 0 50 GCAA CCN(CC(C)C)C(=O)[C@@H]1CO[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 2332237546 AOKDXXZWDFNHBK-ULQDDVLXSA-N 397.516 0.507 0 50 GCAA COCCN1CCC[C@]2(CCCN2C(=O)c2ccc(S(N)(=O)=O)cc2)C1=O 2356161520 YHYNEWJOHDPAMR-SFHVURJKSA-N 395.481 0.578 0 50 GCAA CCOC(=O)c1nnn(-c2nonc2N)c1COc1c(C=O)cccc1OC 3623122 YGYZKJBKDLRWNT-UHFFFAOYSA-N 388.340 0.809 0 50 GCAA CC(=O)NC[C@@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 11841220 BQCHSOWYMKBOFK-LBPRGKRZSA-N 377.474 0.919 0 50 GCAA Cn1c(=O)n(CC(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(=O)c2ccccc21 12428078 COXAUUYDEYMYMU-UHFFFAOYSA-N 378.388 0.774 0 50 GCAA O=C(NCCCn1ncc2ccccc21)c1cn(CCN2CCOCC2)nn1 19772703 UPXCROMVMALMLY-UHFFFAOYSA-N 383.456 0.780 0 50 GCAA CC(C)OC[C@H](O)CN1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 20233044 CTJJTIFLCVWQMV-IAGOWNOFSA-N 396.484 0.559 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 20997306 RYSRVFAIDWIRDQ-GOSISDBHSA-N 387.528 0.962 0 50 GCAA NS(=O)(=O)N1CCN(Cc2ccc(O[C@@]34CCCN(CC3)C4)cc2)CC1 67675293 AFFLMQHUGCTHRO-SFHVURJKSA-N 380.514 0.625 0 50 GCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3ccccc3-n3cncn3)C2)cc1=O 77390029 VSJPNJGSPQUQHD-AWEZNQCLSA-N 379.424 0.617 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@]2(C(=O)O)C1 96166657 JZOOSQSNYFTUCR-SJCJKPOMSA-N 378.454 0.731 0 50 GCAA Cc1cc(-c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)nc(N)n1 426544744 IYLUJOCTTJHMRE-UHFFFAOYSA-N 375.454 0.752 0 50 GCAA Cc1nn(CCO)cc1CN1CCCN(S(=O)(=O)N2CCCCC2)CC1 952977219 PIBUUWWQSLRHMH-UHFFFAOYSA-N 385.534 0.422 0 50 GCAA O=C1NC(=O)[C@H](CCC(=O)N2CCCN(C(=O)CCc3cccnc3)CC2)N1 1529139867 WPSPZFARCHAULT-HNNXBMFYSA-N 387.440 0.063 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccccc1OC(F)F 1704298936 ORSDKDWEXWBUGT-CMPLNLGQSA-N 378.397 0.924 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(-c2ccccc2)on1 1704332035 OGDMPQAAUKRCSG-DZGCQCFKSA-N 379.438 0.978 0 50 GCAA Cc1cnc(C(=O)N2C[C@H]3CN(C4CSCCSC4)C[C@]3(CO)C2)cn1 1772806519 FVUQBGURXNKGNB-RDTXWAMCSA-N 394.566 1.000 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)CCc2cncc(F)c2)ncn1 1857527509 CLAYOVNZYQUBKP-HZPDHXFCSA-N 388.447 0.765 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cnc4ccccc4n3)C[C@H]2CO1 1857684299 HUGHFLDQDXXIII-ILXRZTDVSA-N 383.452 0.680 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CCn3ccccc3=O)CC(=O)N21 1857700105 MXESJQQDJUDPTB-KKUMJFAQSA-N 375.425 0.249 0 50 GCAA Cc1nc(CC(=O)N2CCO[C@]3(CCN(S(=O)(=O)N(C)C)C3)C2)cs1 1857707675 YDNWFPGPVSCRNI-OAHLLOKOSA-N 388.515 0.104 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)Cc3noc4ccccc34)C[C@H]2CO1 1857716209 BPCHJZMUGFOGLA-ILXRZTDVSA-N 386.452 0.807 0 50 GCAA COc1cccc2[nH]c(C(=O)N3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc12 1857720992 ULICEUCVKGPFJJ-NHYWBVRUSA-N 381.454 0.501 0 50 GCAA Cc1nnnn1-c1ccc(CC(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)cc1 1875248013 UHNFLOHQRDQFPK-FXAWDEMLSA-N 399.451 0.978 0 50 GCAA Cn1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NC3Cc4ccccc4C3)C[C@H]2O)cc1=O 1875248032 VKYKIEPTYGFDGW-QXAKKESOSA-N 395.459 0.538 0 50 GCAA Cc1cc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3cncc(=O)[nH]3)C2)ccc1F 2100473398 KYLQAKNIWGOEBI-NOLJZWGESA-N 388.399 0.403 0 50 GCAA O=C1CC2(CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C2)[C@@H](O)CN1 2325765505 OFIBDNNADMFLMG-LBPRGKRZSA-N 385.342 0.145 0 50 GCAA CC[C@@]1(C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 2325793193 KINQZFMQBBADNW-KDOFPFPSSA-N 375.473 0.387 0 50 GCAA CN(C)[C@@]1(C)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)C1 2325806793 GZVXSTIPMUXSSG-KUHUBIRLSA-N 383.456 0.772 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CC(OC(F)F)C4)ccc3C2=O)C(=O)N1 2325887771 ZZIUZKPQCPVYSZ-CYBMUJFWSA-N 393.346 0.511 0 50 GCAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)CC1 11874176 ZJPRMKKBCACGCF-MRXNPFEDSA-N 382.505 0.960 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCCO2)c(OC)c1 13594728 QXRZLQCRKOEOOQ-INIZCTEOSA-N 377.441 0.948 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3C2)cc1 14541657 DSARYEJOODJIER-JKSUJKDBSA-N 379.482 0.741 0 50 GCAA CCCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1OC 16650270 GCVGEEPNPGOLJA-UHFFFAOYSA-N 383.470 0.721 0 50 GCAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cn(CCN2CCOCC2)nn1 23129164 KWXJXSWSANEZBU-GOSISDBHSA-N 395.467 0.978 0 50 GCAA COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2csnn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65493640 QACGYLGOFBOKDG-UHQDVWGKSA-N 386.433 0.568 0 50 GCAA CCCn1ncc(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 72423477 QRPZINRRHXUHMO-DLBZAZTESA-N 380.514 0.821 0 50 GCAA CN(CC(=O)N1CCOC[C@@H]1CC(=O)N1CCCOCC1)c1ccccc1 72470237 CBABJIPTNTWVNU-SFHVURJKSA-N 375.469 0.989 0 50 GCAA CCCN1CCN(C(=O)c2cn3ccc(C)cc3n2)[C@H]2CS(=O)(=O)C[C@H]21 77355830 PFQLYOLIMRPBTL-CVEARBPZSA-N 376.482 0.976 0 50 GCAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 95515348 QKCIJZUDWRITGM-HNNXBMFYSA-N 388.472 0.091 0 50 GCAA CCc1cc(CN2CCC3(CC2)CN(C(=O)Cn2cnnn2)CCO3)on1 823565606 QJGDCRTUKNUOOW-UHFFFAOYSA-N 375.433 0.117 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 1704300120 WAAYSHRYKZYWRX-AAEUAGOBSA-N 378.397 0.924 0 50 GCAA NC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(C[C@@H]2COCCO2)n1 1857677447 CCCGNYIQUVPZNF-OAHLLOKOSA-N 385.424 0.515 0 50 GCAA Cn1cc(C(=O)NCC2(Cn3cc(-c4ccc(C(=O)O)cn4)nn3)CC2)cn1 1875324976 PQIPIOUGEDREOK-UHFFFAOYSA-N 381.396 0.982 0 50 GCAA O=C(N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCc4ncnn43)C[C@@H]21)c1cn[nH]c1 1875361854 FJCHECWFVAPXPG-SLBVQIDZSA-N 383.456 0.936 0 50 GCAA Cc1ncc(C(=O)N[C@@H]2C[C@H](C(=O)NCc3csc(C)n3)C[C@H]2O)cn1 2100539414 HPVUSQCDEZXNEQ-NILFDRSVSA-N 375.454 0.736 0 50 GCAA C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 2325888640 MMLJRAJLXZHRJH-UHFFFAOYSA-N 389.836 0.614 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCCC[C@H]4C(=O)O)cc3C2=O)C(=O)N1 2325897426 WWCCOVYRUSSBEV-GJZGRUSLSA-N 399.403 0.527 0 50 GCAA COCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cnn(C)c1)C[C@H]2O 2356162515 DVNGTKMMYJJCRD-VURPSTOHSA-N 384.480 0.759 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCN3CCNC3=O)C2=O)c1 67460209 YKVKIPDLEWVWJC-LJQANCHMSA-N 394.447 0.303 0 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COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3CCCC3=O)C2=O)cc1 409413610 CRRFMXFIZNOZQX-OAHLLOKOSA-N 388.424 0.639 0 50 GCAA CNc1nc(-c2cccc(C(=O)N3CCN([C@H]4CCNC4)CC3)c2)ncc1F 426477828 CQBJTUWZFGEIFA-INIZCTEOSA-N 384.459 1.444 0 50 GCAA Cc1c(-c2cc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)no2)cnn1C 426734583 XJOICYQXHNVZAI-UHFFFAOYSA-N 385.428 0.406 0 50 GCAA COCCN1CCC[C@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 670443605 VYRVSTROUASKGJ-CQSZACIVSA-N 390.527 0.727 0 50 GCAA COC(=O)[C@H](C)CN(C)c1ncnc2c1ncn2C[C@@H](CO)[C@H]1CCOC1 1857532785 VHAFFEDVQKKUDW-RDBSUJKOSA-N 377.445 0.717 0 50 GCAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1857733703 VFECXUANCFZHBZ-SNVBAGLBSA-N 381.483 0.913 0 50 GCAA C[C@@H](NC(N)=O)C(=O)N1CC2(CC[C@H](NC(=O)c3c[nH]c4nccc-4c3)C2)C1 1875329951 MDTHHZKGJQZDPS-RISCZKNCSA-N 384.440 0.682 0 50 GCAA Cc1csc(CCNC(=O)[C@H]2CC[C@H]3OCCN(C(=O)CCO)[C@@H]3C2)n1 2100537046 GSYTXLOQRZDIOE-RRFJBIMHSA-N 381.498 0.889 0 50 GCAA O=C1CN(Cc2occc2C(=O)N=c2ccn(Cc3ccncc3)[nH]2)CCN1 2325720482 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CC(C)Cc1cc(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)on1 299789031 WFXYZYNCWPKFBW-UHFFFAOYSA-N 381.458 0.775 0 50 GCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCC(O)(c3cccnc3)CC2)n1 426580600 AAMFFJJTCVGFGL-HNNXBMFYSA-N 385.468 1.268 0 50 GCAA COCCn1cnnc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 670460977 FGEYXMHAMUTZNT-SNVBAGLBSA-N 381.414 0.409 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N[C@H]1CCOC[C@@H]1OCC1CC1 1565505721 OWDZMJQGTYSIPB-IRXDYDNUSA-N 375.473 0.299 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@@H]1O 1616070360 SUOQKAXIWDZZBH-DOMZBBRYSA-N 381.429 0.698 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(c3nnc(CN(C)C)o3)CC2)cc1 1772710469 VXFOKRHLEISPFL-UHFFFAOYSA-N 381.458 0.651 0 50 GCAA Cn1nccc1C(=O)N1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1 1772813567 HVNPGIZIYJDVQY-UHFFFAOYSA-N 389.435 0.538 0 50 GCAA Cc1nc(N[C@H]2COC[C@H]2O)c2c(n1)C1(CC2)CCN(C(=O)c2cn[nH]c2)CC1 1857692551 KCAJXECCHWINGA-JKSUJKDBSA-N 398.467 0.800 0 50 GCAA Cn1cnc(C(=O)N2CCC(C3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)CC2)c1 1857730484 TXQKXYOHIZTGMX-INIZCTEOSA-N 387.484 0.790 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)N3CCOC4(CCNCC4)C3)CC2=O)s1 1857738411 GYTKXASJYBUORK-ZDUSSCGKSA-N 393.513 0.825 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)c1ccc(F)cc1 1875245376 XFVCZXSNLIOZRF-NUEKZKHPSA-N 377.416 0.698 0 50 GCAA Cn1cc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3ccncc3Cl)C2)cn1 1875249185 JYKYDSUZBUDYGF-NILFDRSVSA-N 377.832 0.654 0 50 GCAA CCc1nc(-c2ccc(C(=O)N3CCc4c(cnn4C)[C@H]3C(N)=O)cc2)n[nH]1 1875396158 XNJXBQYJQTWVPW-INIZCTEOSA-N 379.424 0.993 0 50 GCAA Cc1nc2n(n1)CCN(C(=O)c1nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n1)C2 1875402074 ARTZSCLLGGBTPU-OAHLLOKOSA-N 384.488 0.790 0 50 GCAA C[C@@H]1CNC[C@H]1n1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)[C@H]2C)nn1 1875405674 LSSXVRHSXFMUSS-FXPVBKGRSA-N 384.366 0.886 0 50 GCAA COc1ccc(-c2noc(CNC(=O)[C@@H]3CN(C)CC[C@H]3O)n2)cc1OC 2100541238 XOOIZXRYKVZLNT-CHWSQXEVSA-N 376.413 0.683 0 50 GCAA CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](CO)O[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O 25666014 FANMTAAJAAVFGU-UJWQCDCRSA-N 396.392 0.716 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CNC3(C(N)=O)CCCC3)C2=O)c1 67855088 UAHUPPWYMYBEAX-FQEVSTJZSA-N 375.469 0.936 0 50 GCAA Nc1nc(CCC(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77379405 PVWYXRCPIRBHHO-KGLIPLIRSA-N 384.527 0.378 0 50 GCAA CC[C@@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc2C1 77564869 WOSJHRZLTFINLL-SNVBAGLBSA-N 379.446 0.867 0 50 GCAA O=C1CN(CC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)C(=O)N1 95378753 CAQRCVCDKUZGFU-KFKAGJAMSA-N 384.436 0.333 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)Cn1cncn1)CC2 95511649 OJUYTRJYDPIMFU-AWEZNQCLSA-N 385.472 0.950 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)CN1CCC=C(C)C 96152795 CJKLATJMIPPAKI-HOCLYGCPSA-N 375.473 0.445 0 50 GCAA COc1ccc(/C=C/CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1 96164282 ZTFDKHBQDCWJGZ-UIXCXIJASA-N 380.466 0.986 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@]2(C(=O)O)C1 96179730 OAVYZVYBJLMBLK-GUYCJALGSA-N 384.429 0.563 0 50 GCAA Cn1ncnc1[C@@H]1COCCN1C(=O)Cc1csc(N2CCCC2=O)n1 284597970 SOVZSFJUOLTQGG-LBPRGKRZSA-N 376.442 0.541 0 50 GCAA O=C([C@H]1CCCN1c1ccccc1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 366796904 STCFHLUFBUSZOM-OAHLLOKOSA-N 390.469 0.307 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3)s2)C[C@H]1O 426409179 CFHKZDLIXSPGCJ-CHWSQXEVSA-N 383.499 0.541 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CSC(C)(C)C(=O)N2)cc1 670440828 QYYFUPWNJIBWMW-AWEZNQCLSA-N 399.538 0.790 0 50 GCAA CC(C)C[C@@H]1C(=O)NCCN1c1ncnc2c1ncn2C[C@@]1(O)CCO[C@H]1C 888097858 QTUHTWQXDQSNMR-KSMMKXTCSA-N 388.472 0.717 0 50 GCAA COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 929178324 VLZHSCGLMSEDLT-INIZCTEOSA-N 377.416 0.886 0 50 GCAA CN(C(=O)CN1CC[C@]2(O)CCN(S(C)(=O)=O)C[C@@H]2C1)c1ccccc1 1565511880 KUGJRPLRVTWCJU-YJBOKZPZSA-N 381.498 0.368 0 50 GCAA O=C1CO[C@@]2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)CN1 1772814517 DCKFUYZYKHHQGZ-ZDUSSCGKSA-N 380.344 0.865 0 50 GCAA Cc1cc(N)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C)on2)CCO3)n1 1857682194 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CCOC(=O)c1c[nH]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1=O 9483717 QAXZVJUATMQWSF-UHFFFAOYSA-N 386.408 0.998 0 50 GCAA Cn1ncc(N2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)cc1=O 23429904 UWKISDKJPPFQHV-QGZVFWFLSA-N 385.472 0.483 0 50 GCAA O=C(COc1ccc2c(c1)OCO2)N1CCOC[C@](O)(CN2CCCC2)C1 77517776 FTVMUMQDENDXHC-IBGZPJMESA-N 378.425 0.480 0 50 GCAA COCCOC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82107873 SBHIRLLAYNYVAN-MRXNPFEDSA-N 383.489 0.805 0 50 GCAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2)CC1 95503538 YPSUKQCITVJQOK-UHFFFAOYSA-N 389.412 0.044 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1noc3ccccc13)C2 95516589 LRPIBVKYDRHWMW-UONOGXRCSA-N 384.436 0.908 0 50 GCAA CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 192738309 BAEQUVXBZANVES-GOSISDBHSA-N 386.496 0.960 0 50 GCAA COc1ccc(N2C(=O)N[C@H](CC(=O)NCCCN3CCOCC3)C2=O)cc1 248150771 VVQABEROSSORCJ-MRXNPFEDSA-N 390.440 0.349 0 50 GCAA Cc1cc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc(C)c1OCC(=O)O 262795614 NRHMZTORVKNPDU-ZDUSSCGKSA-N 384.454 0.778 0 50 GCAA O=C(O)COc1ccc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1Cl 278838155 ZJSDGOGAEDEMPU-HNNXBMFYSA-N 388.829 0.704 0 50 GCAA COCCCN(C(=O)[C@@H]1C[C@]12CCOC2)c1c(O)nc(=O)n(CC(C)C)c1N 373405764 HZTBDGWKUPYJJG-DJJJIMSYSA-N 394.472 0.983 0 50 GCAA COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC2(CO)CCOCC2)C1=O 760936966 PYYLXUYGXJQCTM-SFHVURJKSA-N 391.424 0.120 0 50 GCAA O=C(NS(=O)(=O)C[C@@H]1COCCO1)c1ccc(O[C@H]2CC2(F)F)cc1 888100335 XJVQUSRBYSTCTI-STQMWFEESA-N 377.365 0.948 0 50 GCAA Cc1nccn1CCC(=O)N1CCC[C@H](CNC(=O)Cn2ccccc2=O)C1 952968861 QHEWNWFUQVWRIB-QGZVFWFLSA-N 385.468 0.798 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(CCC(=O)Nc1nccs1)C2 1076080088 MCGUNTZGGSWHSP-OLZOCXBDSA-N 379.486 0.483 0 50 GCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1nnc(O)c3ccccc13)CC2 1506425530 BENZWCZPYMFMGR-ZDUSSCGKSA-N 384.392 0.873 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)COc2cccc(Cl)c2)C[C@H]1O 1529190663 LHCFFDKCRBZHNH-SMDDNHRTSA-N 376.862 0.430 0 50 GCAA O=C(CCCn1cnc2ccccc2c1=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 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378.332 0.808 0 50 GCAA CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C1 299742141 HCXCGBVJNAEADF-MLGOLLRUSA-N 393.465 0.951 0 50 GCAA C[C@@]1([C@@H]2CCCN(C(=O)NCCNC(=O)c3ccccc3)C2)NC(=O)NC1=O 378179889 NBNBBJMEOTUVFR-KUHUBIRLSA-N 387.440 0.436 0 50 GCAA COCCn1cnnc1CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 426544416 PTFXMOAZEBOWQI-HNNXBMFYSA-N 376.392 0.446 0 50 GCAA Cc1cc(C(F)(F)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cnc1Cl 931687886 BKTCRGXQCAKSGF-UHFFFAOYSA-N 399.789 0.493 0 50 GCAA Cc1nc2ccc(-c3ccc(C(=O)N[C@H]4CS(=O)(=O)C[C@@H]4O)cc3)cn2n1 1565531288 HHESGAYOZULJRD-HOTGVXAUSA-N 386.433 0.592 0 50 GCAA Cc1nn(CCO)cc1CN1C[C@@H]2CN(C(=O)CC3=CCCC3)C[C@@]2(CO)C1 1772816317 NFYSXCWIAGBDNF-TZIWHRDSSA-N 388.512 0.937 0 50 GCAA C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1C(=O)c1ncn(C(C)(C)C)n1 1775990441 XKFXQSJRLOAICG-AAEUAGOBSA-N 397.501 0.187 0 50 GCAA N[C@@H](CO)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC3CC3)cc12 1857688541 OQAYACRTVFZUTR-ZDUSSCGKSA-N 379.482 0.350 0 50 GCAA 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CCCn1nccc1C(=O)N1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77288024 CLDUYSVSUUQESL-CABCVRRESA-N 380.470 0.153 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 77303557 QCXGKLYSSSVKNU-JKSUJKDBSA-N 379.482 0.611 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCN(C)C)[C@@H]4C2=O)c1 77515710 MSGXJYKWCNGJAS-VWNVYAMZSA-N 399.491 0.997 0 50 GCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3ccc(-c4nc[nH]n4)cc3)C2)cc1=O 77539187 UFVMMNOQEDXTLV-ZDUSSCGKSA-N 379.424 0.822 0 50 GCAA CCOc1ncccc1CNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 91494340 AECJPCZJJHMXJY-CVEARBPZSA-N 376.457 0.181 0 50 GCAA O=C(NCc1ccc2ccccc2n1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 96154041 IZPBMIMNDIBCTL-IAGOWNOFSA-N 382.464 0.936 0 50 GCAA CCOC(=O)c1ccc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 225616819 UTCBASYZBBKUER-UHFFFAOYSA-N 378.472 0.887 0 50 GCAA O=C(CN1CCC[C@@H]1Cc1ccccc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 249330256 OUJOHCWZALFGRM-JKSUJKDBSA-N 379.482 0.706 0 50 GCAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 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CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1O 1704347181 IUYNDBYHHWNXEL-IINYFYTJSA-N 378.853 0.732 0 50 GCAA Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@@]2(CN(C)C)C1 1772709293 FEIQQMRNSWXMMV-UZLBHIALSA-N 397.483 0.593 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(C4CCOCC4)CC3)CC2=O)s1 1857732235 IOQONOLUMAYBAT-ZDUSSCGKSA-N 393.513 0.777 0 50 GCAA NC(=O)C12CC(CN=c3cc[nH]c(-c4nccs4)n3)(C1)OC21CCNCC1 1875289121 UCYUFWFOIDHQKV-UHFFFAOYSA-N 386.481 0.591 0 50 GCAA COc1cc(C)cnc1C(=O)N1CC2(C1)[C@H](C(=O)N(C)C)CCS2(=O)=O 1875395341 BKNKMYRBGZMSAS-LBPRGKRZSA-N 381.454 0.116 0 50 GCAA O=C1CN(C(=O)[C@H]2CC[C@H]3OCCN(C(=O)c4cscn4)[C@@H]3C2)CCN1 1940195476 GFXAIPZITBZKQU-IACUBPJLSA-N 378.454 0.111 0 50 GCAA CC(=O)NC[C@@H]1CN(CC(=O)NCCOc2ccccc2)C[C@H]1c1cncn1C 2325773061 NNFVBZOFVGESMI-IEBWSBKVSA-N 399.495 0.767 0 50 GCAA O=C(NC[C@@H](F)C1CCNCC1)C1CCN(c2ccc3nncn3n2)CC1 2325789167 ADPJHFYXIOBTKX-OAHLLOKOSA-N 375.452 0.795 0 50 GCAA O=C(C[C@H]1CCOC1)N1CCn2ncc(-c3cn([C@H]4CCC[C@@H]4O)nn3)c2C1 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COCc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)s1 77286851 OKAQUKRGBKSTBH-TZMCWYRMSA-N 376.438 0.690 0 50 GCAA CN1CCN(C[C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@@H]2CO)CC1 95357889 WAUJKHWCEAZNKJ-IAGOWNOFSA-N 389.544 0.535 0 50 GCAA O=C(NC1CC1)c1cccc(S(=O)(=O)NCCN2CCCC[C@@H]2CO)c1 95372961 RMTVFUODLNIXLP-MRXNPFEDSA-N 381.498 0.704 0 50 GCAA CN[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 133844576 FYXTZUDZMWYQPD-YOEHRIQHSA-N 385.468 0.334 0 50 GCAA CC(=O)N[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@H]2CCO[C@H]21 223403194 QTHOVMVFQQRLAN-CQROYNQRSA-N 380.426 0.410 0 50 GCAA O=C(CN1CCCS1(=O)=O)N1CCOC[C@H]1c1ncnn1-c1ccccc1 284372084 FLRCOXCVDYDSPP-HNNXBMFYSA-N 391.453 0.203 0 50 GCAA O=C(NCCn1nc(O)c2ccccc2c1=O)[C@@H](c1ccccc1)n1cnnn1 828401214 QCYCYJFNOJQKKN-MRXNPFEDSA-N 391.391 0.494 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1O 1529158585 GULMAJRLNQDENN-ZWKOTPCHSA-N 378.498 0.616 0 50 GCAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2cccc(C(=O)NC)c2)CC[C@@H]1O 1704303061 WLQLZDTWYFXXBC-YOEHRIQHSA-N 384.454 0.673 0 50 GCAA Cc1nc[nH]c1C(=O)N1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 1704341981 ANIYZQUGOWKRND-UHFFFAOYSA-N 394.439 0.741 0 50 GCAA CCN=c1ccnc(N2CCC3(CC2)CN(CC(=O)N(C)C)C(=O)CCO3)[nH]1 1857724193 PJKVNHBCMCPZOZ-UHFFFAOYSA-N 390.488 0.006 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2=NNC(=O)CC2)cn1 1857738515 LHMQHMGFTMURQP-WMZOPIPTSA-N 388.472 0.441 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[C@@H]32)CC1 1875268307 QTGYWQFYWOUHGP-DUVNUKRYSA-N 388.443 0.878 0 50 GCAA Cc1cccc(N2CCN(C(=O)CN3CCc4c(O)nc(O)nc4C3)CC2)c1 1875308292 YKWTVMZTRWLKMH-UHFFFAOYSA-N 383.452 0.903 0 50 GCAA C[C@@H]1COC[C@@](CO)(CN[C@@H]2CCCS(=O)(=O)C2)N1Cc1ccccc1 1875392648 LXRJWGPQTZBKKF-QRQLOZEOSA-N 382.526 0.805 0 50 GCAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)CCCn1ccnc1C 1875401265 HJXIJOKEBCOZPJ-JKSUJKDBSA-N 387.488 0.848 0 50 GCAA COC[C@]1(O)CCOC[C@H]1NC(=O)CCc1ccccc1N1CCOCC1 2325770115 FBTUZPQJWQCVCL-UYAOXDASSA-N 378.469 0.738 0 50 GCAA CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCN(c2ccccc2F)C[C@H]1C 2332238099 ZDJAKKYHNHBMNN-XNRPHZJLSA-N 397.472 0.412 0 50 GCAA COc1nc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)nn1C 2356157941 TUGLYLRQFKWBIL-PJIJBLCYSA-N 391.472 0.724 0 50 GCAA Cn1cnc2c1c(=O)n(Cc1cc3c(cc1Br)OCO3)c(=O)n2C 4625577 QEDNSUQGIBMNCV-UHFFFAOYSA-N 393.197 0.973 0 50 GCAA biogenic NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 8078513 NTRGGKOAIMXPCY-UHFFFAOYSA-N 399.444 0.184 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(O)CC2)cc1OC 72164149 TZNYVTKQPDRZSF-MRXNPFEDSA-N 391.468 0.378 0 50 GCAA O=C(NC1CCC1)[C@H]1CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)CCO1 72409355 RSRZSSDXJSTQSR-OAHLLOKOSA-N 388.403 0.375 0 50 GCAA CCc1c(C)cc(C(=O)N2CCOC[C@](O)(CN3CCCC3)C2)c(=O)n1C 77356207 NKRIFYAOVOTKBD-FQEVSTJZSA-N 377.485 0.555 0 50 GCAA O=C(NCCSc1ccccc1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 91426753 OMICVZOUQWRJIC-CVEARBPZSA-N 377.510 0.979 0 50 GCAA CS(=O)(=O)N1CCO[C@H](Cn2cc(-c3ccc(-c4cc[nH]n4)o3)nn2)C1 91644556 SOIPDJSVWKCHGF-LLVKDONJSA-N 378.414 0.589 0 50 GCAA CC(=O)NC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 170604655 KTTXGEVLSQMGLJ-CYBMUJFWSA-N 383.445 0.573 0 50 GCAA COc1cccc(CN2CCN(Cc3nnc([C@H]4C[C@H](N)C4)n3C)CC2=O)c1 244811552 SGSGBLBBIWLCNC-WKILWMFISA-N 384.484 0.873 0 50 GCAA COCCn1c(CN2CCN3CCC[C@H]3C2)cnc1S(=O)(=O)CC1CC1 244887868 YPVHTAKMXZVQMW-INIZCTEOSA-N 382.530 0.993 0 50 GCAA COCCCS(=O)(=O)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 273849047 LAAPKJVPWIAUPS-UHFFFAOYSA-N 378.397 0.795 0 50 GCAA Cc1ccccc1N1CCN(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)CC1 584900436 YVODIBRPWHBZHB-INIZCTEOSA-N 396.513 0.487 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cnc(-c3ccccn3)nc2)C[C@@H]1O 1529173096 MHDUZGAHBDTGCZ-HOCLYGCPSA-N 377.470 0.223 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@]2(C(=O)O)C1 1565525904 CBMIOCIJADMDLR-LRDDRELGSA-N 386.857 0.687 0 50 GCAA CCc1cc(C(=O)NC[C@H]2COCCN2C(=O)CC[C@]2(C)CCC(=O)N2)no1 1775992097 OPNRGHAHEXKVIY-DJJJIMSYSA-N 392.456 0.643 0 50 GCAA CCOC(=O)N1CCN(C(=O)[C@]23COC[C@H]2CN(CCn2cccn2)C3)CC1 1857705587 NMPKDDGGFZVPOY-VQIMIIECSA-N 391.472 0.132 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3[nH]nnc3C)CC(=O)N2[C@H]1c1ccccc1 1857731816 PQQDFRDVCYRXPL-ZQIUZPCESA-N 383.408 0.700 0 50 GCAA COCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nccc(OC)n1)C[C@H]2O 2100539323 CIFBVNHFMGEMNE-NVEXJGOOSA-N 398.463 0.829 0 50 GCAA Cc1cc(O)nc(SCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 9328768 BFAISAZTQVDNCU-UHFFFAOYSA-N 393.513 0.915 0 50 GCAA COc1ccc(CNC(=O)[C@H]2CNC[C@@H](CN3CCOCC3)C2)cc1OC 14532331 JTPFRPTUKYNLTJ-DLBZAZTESA-N 377.485 0.878 0 50 GCAA CS(=O)(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20513990 ABJNNZOHMMAQDH-INIZCTEOSA-N 381.498 0.957 0 50 GCAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)n[nH]1 72164768 XTZCPCUXXOVANS-AWEZNQCLSA-N 378.383 0.398 0 50 GCAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1ccccc1)C2 221431994 HEYURQKJWXOFSJ-KRWDZBQOSA-N 377.466 0.936 0 50 GCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@H](CO)C(C)C)N=C2O)cc1OC 252523247 CEJVRJNYABLGNK-ZIAGYGMSSA-N 393.440 0.852 0 50 GCAA Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 333656700 FYQJUXIXLOBBFP-GFCCVEGCSA-N 381.545 0.680 0 50 GCAA COC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C(F)(F)F 1775991800 NCFVPEZJIRZCHR-PSASIEDQSA-N 377.323 0.193 0 50 GCAA Cn1cncc1C(=O)N[C@@H]1CN(C(=O)COc2ccccc2Cl)CC[C@@H]1O 1857679260 QRPLVIYGSQWSOA-HIFRSBDPSA-N 392.843 0.844 0 50 GCAA O=C(Cc1cc[nH]n1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857693061 GNVZBOATBOARJE-HXUWFJFHSA-N 398.467 0.791 0 50 GCAA CC(C)C(=O)N1CCCNC(=O)c2ncccc2OCCNC(=O)CCC1 1857705688 QPWKVPWGANSMIU-UHFFFAOYSA-N 376.457 0.975 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3ccc(-n4ccnc4)cc3)C[C@H]2CO1 1857733924 FZEXBSSREYGSTA-NEWSRXKRSA-N 397.479 0.922 0 50 GCAA CS(=O)(=O)c1ccc(NCC(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1 1875327830 MNTTZKRTNQDGIB-CQSZACIVSA-N 379.442 0.021 0 50 GCAA CCO[C@@H](C)C(=O)N1CCN(c2cc(C3CC3)nc(S(C)(=O)=O)n2)CC1 1875329645 BCBXDAVRJFTELS-LBPRGKRZSA-N 382.486 0.831 0 50 GCAA O=C(O)CN(C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C1CCC1 2325896895 JTSNERYZYPGFHU-HNNXBMFYSA-N 399.403 0.527 0 50 GCAA CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851800 LHEWNKDKPFYSHV-UHFFFAOYSA-N 385.380 0.249 0 50 GCAA biogenic Cc1nn(C)c(C)c1CCC(=O)N1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 95375872 QGCNZYCISOZFGM-QZTJIDSGSA-N 377.533 0.284 0 50 GCAA Cn1c2c(cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c1=O)CCCC2 97657108 XSEQAIXIBZEZRL-UHFFFAOYSA-N 375.450 0.842 0 50 GCAA O=C(CN1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1)NC1CC1 180392585 DLAJPRIOTGYOCR-UHFFFAOYSA-N 378.454 0.554 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 244724314 MRSPVMMWOVBYLB-XYPYZODXSA-N 380.426 0.303 0 50 GCAA O=C(C[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)O)c1cccs1 274986042 MCPWJTPJBWYSIC-PWSUYJOCSA-N 399.450 0.911 0 50 GCAA COCCn1cc(C[C@@H]2N=C(O)N(CC(=O)N3[C@H](C)CCC[C@H]3C)C2=O)nn1 328614645 WNPLAGHASIVULT-NFAWXSAZSA-N 392.460 0.381 0 50 GCAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCN1CC(C)(C)O 372428867 VUGLCBIVDFWJPG-ZDUSSCGKSA-N 381.498 0.438 0 50 GCAA CC1(C)CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C[C@@]2(CCCOC2)O1 373603548 JTWYBTIOOUQFLA-GOSISDBHSA-N 395.481 0.671 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)CCCc2nc(-c3cccnc3)no2)CC1 426549070 GJHIGGMBQACUPD-UHFFFAOYSA-N 379.442 0.558 0 50 GCAA C[C@@H](C(=O)N1CCCN(C(=O)C2=NNC(=O)CC2)CC1)n1cnc2ccccc21 1529153882 WLEFMOMNRCLXPQ-AWEZNQCLSA-N 396.451 0.924 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)C[C@H]1O 1529158392 BRVCLFMXKCVKJH-JKSUJKDBSA-N 378.450 0.687 0 50 GCAA Cc1ccc2nc(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)c(F)n2c1 1704306655 XNUQGWUCRHPOIA-STQMWFEESA-N 376.388 0.639 0 50 GCAA Cc1cc(CN2C[C@H]3CN(C(=O)c4cn5cccnc5n4)C[C@@]3(CO)C2)on1 1772812454 LSQYTQUIGKBHJK-IFXJQAMLSA-N 382.424 0.592 0 50 GCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(-c4cccs4)nn3C)C[C@@H]12 1857684215 DDQKWHDQBNSUNX-PJODQICGSA-N 394.522 0.948 0 50 GCAA C[C@@H](O)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CCOCC3)cc12 1857699703 WCDXXZYBMLRLTN-CYBMUJFWSA-N 394.493 0.992 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)CCCN2CCCC2=O)[C@H]1c1cnn(C)c1 1857712679 LVKBBHPYIBSJEV-LPHOPBHVSA-N 377.489 0.653 0 50 GCAA O=C1CC2(CN(C(=O)c3ccc(Br)c4cn[nH]c34)C2)[C@@H](O)CN1 1875317470 YDPIPGXRQQVAHG-NSHDSACASA-N 379.214 0.648 0 50 GCAA CCc1ccc(OCC(=O)N2CC3(C2)[C@H](C(=O)N(C)C)CCS3(=O)=O)cc1 1875396046 UGXHJHOFEDKGJY-INIZCTEOSA-N 394.493 0.732 0 50 GCAA Cc1nc(C(=O)N2CCC(OCCO)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403551 XXLGUBROUNISPK-MRXNPFEDSA-N 391.516 0.847 0 50 GCAA Cn1c(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)nc2ccccc21 1940197038 NQACOBVOHMKCTH-MOPGFXCFSA-N 379.420 0.883 0 50 GCAA CN1CCN(c2ccccc2CNS(=O)(=O)c2cnc3cccnn23)CC1 2325775761 DTYDUHOWMASOHP-UHFFFAOYSA-N 386.481 0.960 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCN1CCOCC1 12074746 OXDCZMBGILJACB-IBGZPJMESA-N 388.512 0.476 0 50 GCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C)n[nH]1)C2 77406360 ARMIXOAIFPHHTN-UHFFFAOYSA-N 378.454 0.841 0 50 GCAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCC[C@@H]2CO)[nH]c1=O 77519512 OMQVHUZWRLNASA-OAHLLOKOSA-N 385.420 0.990 0 50 GCAA Cc1cc(NC(=O)CN2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)no1 170596357 XZWQKVFGSNUPMF-UHFFFAOYSA-N 379.442 0.542 0 50 GCAA CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)C(=O)C3)c2)C1 216032040 HCRPEQZQQWQVPM-AWEZNQCLSA-N 381.454 0.010 0 50 GCAA O=C(CN1CCC[C@H](O)C1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299787925 UUEMSAFJLZEFPM-KRWDZBQOSA-N 375.473 0.098 0 50 GCAA Cc1ccnc(N2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)c1 486241162 DIXOTSSQZPQWFJ-UHFFFAOYSA-N 381.484 0.651 0 50 GCAA O=C(NCc1cc2n(n1)CCN(S(=O)(=O)c1cccnc1)C2)C1CCC1 534652959 XLBHLUPIINDAAA-UHFFFAOYSA-N 375.454 0.899 0 50 GCAA O=C1OCC2(CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)O1 584900549 GPKCIWXBVUDOFF-UHFFFAOYSA-N 390.444 0.310 0 50 GCAA O=C(CCCn1cnnn1)N1C[C@@H]2CN(C3CCCCC3)C[C@]2(C(=O)O)C1 1565508669 SVGFMAHKYXZWGF-KSSFIOAISA-N 376.461 0.631 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cncn2Cc2ccccc2)C[C@@H]1O 1616081792 IPGKHKOBSSMRAR-AEFFLSMTSA-N 378.498 0.616 0 50 GCAA CN(C)S(=O)(=O)NC[C@@H]1CCC[C@H](NC(=O)c2nnc3n2CCCC3)C1 1857678338 DRDZQLWDXGAJLF-OLZOCXBDSA-N 384.506 0.299 0 50 GCAA CC(C)c1nnc(N2C[C@H](C(=O)NCC3(CO)CCOCC3)CC2=O)s1 1857723093 WSNQRDJOZFDWOI-GFCCVEGCSA-N 382.486 0.920 0 50 GCAA O=C(CCc1nc(Cl)n[nH]1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2100480405 JCFPKNFOSSZMRT-ZDFLXESQSA-N 376.844 0.986 0 50 GCAA Cc1nsc(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325895922 MSNIJRMAXNCGGV-ZDUSSCGKSA-N 399.432 0.538 0 50 GCAA CCn1cc(Cn2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cn2)cn1 2804401 KGJWKVYSHGALIZ-UHFFFAOYSA-N 380.474 0.758 0 50 GCAA CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20539503 UBVCMJDZAJGOQZ-GOSISDBHSA-N 391.516 0.728 0 50 GCAA CN1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)NC1=O 95519563 SLUCICMVEBFPPG-CQSZACIVSA-N 386.456 0.046 0 50 GCAA Cn1c(=O)oc2cc(NC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)ccc21 105037286 ZTPUKYXEHYIDCZ-GFCCVEGCSA-N 375.429 0.840 0 50 GCAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O 175660737 QTRXIFVSTWXRJJ-UHFFFAOYSA-N 391.391 0.529 0 50 GCAA in-vitro COC(=O)[C@@]1(C)N[C@@H](c2ccccc2Cn2cccn2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210142688 CPBKILGYGRXCDQ-ULMVMLMRSA-N 382.420 0.738 0 50 GCAA Cc1[nH]nc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)c1C 247919343 BXBYQXUFAHXTEZ-CABCVRRESA-N 383.518 0.688 0 50 GCAA Cn1c(=O)c2cc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)cnc2n(C)c1=O 263901410 PXDLGESZZKLDMM-MRXNPFEDSA-N 398.394 0.985 0 50 GCAA CC[C@@H](Cn1ccnc1)NC(=O)N1CCC(N2CCN(CCO)CC2)CC1 426371956 FUCDBUZAAGIEDA-KRWDZBQOSA-N 378.521 0.446 0 50 GCAA O=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)N1CCc2n[nH]cc2C1 584886249 TULURSHJUNAPDO-UHFFFAOYSA-N 381.502 0.519 0 50 GCAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)N1CCN(c2ncc[nH]c2=O)CC1 584893300 UQTURCAMUCHVEV-INIZCTEOSA-N 390.488 0.245 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CC(NC(=O)COC)C2)(c2ccccc2)CC1 847765485 MVQMWSHFNMZWOR-UHFFFAOYSA-N 385.464 0.706 0 50 GCAA Cc1cnc2c(C(=O)NCC3CCN(S(=O)(=O)N(C)C)CC3)cnn2c1 952982668 QMVKPNHJNAVYCC-UHFFFAOYSA-N 380.474 0.286 0 50 GCAA CN(CCNC(=O)CCSc1nnc(-c2ccncc2)o1)S(C)(=O)=O 952989633 SFAOUPCEBKKLNB-UHFFFAOYSA-N 385.471 0.621 0 50 GCAA CS(=O)(=O)N1CC(CNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 1321477101 HIFIPRJCZFBOKR-OAHLLOKOSA-N 394.497 0.010 0 50 GCAA CN(CCn1cnnc1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1471675153 VMKWTSXKGIBZEP-UHFFFAOYSA-N 385.471 0.133 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(O)nc2ccccc12 1704340359 HKWKIZJQDPQVHP-NHYWBVRUSA-N 379.438 0.577 0 50 GCAA CN1CC(=O)N(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)C1=O 1704356151 ASHHFUNMYTWRIL-PBHICJAKSA-N 382.420 0.803 0 50 GCAA O=C(O)c1cnc(N2C[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@]3(CO)C2)cn1 1772817340 CHDVYTGZQXWRTP-XCLFUZPHSA-N 394.435 0.982 0 50 GCAA CC1(C)CNC(=O)C2(CCN(c3ncc(F)c(N4CCOCC4)n3)CC2)NC1 1772818245 AZMLJENSRIJAOY-UHFFFAOYSA-N 392.479 0.537 0 50 GCAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2c(n1)CCNCC2 1857726563 XHTLHNILHRTXJE-CYBMUJFWSA-N 392.485 0.454 0 50 GCAA CCN(CC)C(=O)CN1C[C@@H]2[C@H](CNC(=O)c3nonc3C)[C@H]3CC[C@]2(C1)O3 1857733556 OKMAVESTDPVBEL-NRTGNBEESA-N 391.472 0.456 0 50 GCAA CCc1c(C)nc2nc(=NC(=O)c3nn(C)c(=O)c4ccccc34)[nH]n2c1O 1875240828 HBBUUTYYJJLHGD-UHFFFAOYSA-N 379.380 0.622 0 50 GCAA COC(=O)CCNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 1875249019 FBFGWVCXLNEBAB-NUEKZKHPSA-N 377.441 0.637 0 50 GCAA N[C@H](CC(=O)NCc1cccc(C(=O)N2CCOCC2)c1)C1CCOCC1 1875276786 CCKAUKBHXAZTOX-GOSISDBHSA-N 375.469 0.919 0 50 GCAA COCCCc1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355739 ORRDAXXEVFZJMJ-MRXNPFEDSA-N 383.408 0.607 0 50 GCAA CN1C(=O)c2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4CC(F)F)cc2S1(=O)=O 2325806454 WFJSWNGZKDWEEU-QWRGUYRKSA-N 385.392 0.625 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)c4c[nH]ccc4=O)cc3C2=O)C(=O)N1 2325896327 WKMIYWQFPXEGFJ-OAHLLOKOSA-N 394.387 0.066 0 50 GCAA CCOC(=O)N1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 665917 RPXFDOKSIGUOHJ-UHFFFAOYSA-N 387.433 0.892 0 50 GCAA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)O 4792352 NDHFKCIMCJAZTR-AWEZNQCLSA-N 379.413 0.645 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccn(C)n3)CC2)C1 71524250 GGUJWNPJQVCGHT-HNNXBMFYSA-N 377.489 0.499 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCCc1nnn[nH]1)CO2 71761138 HVBNOGPEYNAMNI-CYBMUJFWSA-N 387.444 0.238 0 50 GCAA CC(=O)N1CCN(C(=O)CSc2ccccc2C)[C@H]2CS(=O)(=O)C[C@H]21 72480708 BXUFWGMMWDOYBH-CABCVRRESA-N 382.507 0.943 0 50 GCAA O=C(CN1CCOCC1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 77515785 QKLNUCQQLMOPNK-UHFFFAOYSA-N 375.473 0.364 0 50 GCAA CCc1n[nH]c(SCC(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)n1 91434179 IUFLOVWPJYQMQN-QGZVFWFLSA-N 381.502 0.947 0 50 GCAA CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1 95359956 NNKUUEVRNQESSP-IRXDYDNUSA-N 381.498 0.920 0 50 GCAA O=C1OCCN1c1cccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 96179605 JMJWDJBXEOQVDG-AWEZNQCLSA-N 383.426 0.657 0 50 GCAA CCn1c(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)nn(C)c1=O 102841114 DQRZEJCEQXVDFF-UHFFFAOYSA-N 376.486 0.958 0 50 GCAA Cc1nc2ccccc2n1CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O 219391360 BHVLLIQXSBLUPY-GLZXHMCRSA-N 378.454 0.166 0 50 GCAA COCCn1nnnc1[C@H]1CN(Cc2nc(O)c3sccc3n2)CCO1 253536271 COBOFDHAYGEJEG-LLVKDONJSA-N 377.430 0.603 0 50 GCAA O=C(c1cc(N2CCNC2=O)ccc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 265651798 UQASNXTUWBBHFP-MRXNPFEDSA-N 390.415 0.819 0 50 GCAA C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CCc2ncnc(O)c2C1 284632206 BPAVKTPQWZOOBB-ACJLOTCBSA-N 382.420 0.883 0 50 GCAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 367375851 XKZKHQNAAWVFGB-CQSZACIVSA-N 396.469 0.450 0 50 GCAA CN(C(=O)NCCc1nc(-c2ccccn2)no1)C1CCS(=O)(=O)CC1 426604220 DLVAWPJXNCCNDW-UHFFFAOYSA-N 379.442 0.893 0 50 GCAA CS(=O)(=O)N1CCn2nc(CNC(=O)[C@@H](O)c3ccc(F)cc3)cc2C1 534648614 FZRUAQOPMNZDNR-HNNXBMFYSA-N 382.417 0.147 0 50 GCAA CN(C)C(=O)N1CCN(CCCOc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073289995 SAUWMBOBXYMGJR-SJORKVTESA-N 381.498 0.920 0 50 GCAA Cc1cc(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)nc(N2CCCCC2)n1 1615958697 QQTUVUBFUHEESE-CABCVRRESA-N 383.518 0.464 0 50 GCAA Cc1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c2c(O)nc(=O)n(C)c2n1 1704302658 AWGLCJOHCSRTQA-UKRRQHHQSA-N 395.419 0.725 0 50 GCAA CC1(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)c4cc[nH]n4)CC3)[C@H]2O)CC1 1704310065 WSKNFZUKTFTRBC-MAUKXSAKSA-N 376.457 0.841 0 50 GCAA O=C(c1cccnc1O)N1C[C@H]2CN(c3ncnc4[nH]ccc34)C[C@]2(CO)C1 1772808797 BNXICQITIPLRMA-CWTRNNRKSA-N 380.408 0.629 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCc2cn3ccncc3n2)C[C@H]1NS(C)(=O)=O 1857686169 KOHHLWOMKJTXLB-IACUBPJLSA-N 381.458 0.078 0 50 GCAA CCOC(=O)c1c[nH]c(-c2ccc(OC)cc2)nc1=N[C@@H]1CCC(=O)NC1=O 1857797745 JBZZBHLPUVSRSI-CQSZACIVSA-N 384.392 0.968 0 50 GCAA CCOC(=O)c1cc(F)cc(S(=O)(=O)N=c2nc[nH]n2-c2ncccn2)c1 1875313258 NNXNLZVCMQGSNN-UHFFFAOYSA-N 392.372 0.596 0 50 GCAA COC1(c2ccc(C(=O)NC[C@]3(CO)COC[C@@H](C)N3C)cn2)CCOCC1 1875402203 BUFOFSKSVCZICJ-BEFAXECRSA-N 393.484 0.545 0 50 GCAA Cn1nccc1-c1cn(C[C@@H]2CC[C@H](NC(=O)[C@@H]3Cc4nncn4C3)C2)nn1 2325872678 JDGWRLINIXSXDK-MCIONIFRSA-N 381.444 0.428 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 11662863 VPRXPCDVUHYYMN-INIZCTEOSA-N 393.440 0.026 0 50 GCAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C 12437449 YHPIZFWOPLGYCZ-MRXNPFEDSA-N 391.468 0.634 0 50 GCAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCO2)cc(OC)c1 13595013 IVTKQCZFZGZYMV-QGZVFWFLSA-N 377.441 0.948 0 50 GCAA O=C1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CCN1 55226341 GJXUYMXBKZGUDA-OAHLLOKOSA-N 382.486 0.178 0 50 GCAA CC(C)(NC(=O)c1cccs1)C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1 65462253 LIQGOXQUBTUSPN-LLVKDONJSA-N 389.499 0.033 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCNC(=O)CC3)C2=O)c1 67947591 PROBOMHVERWCGH-IBGZPJMESA-N 379.432 0.510 0 50 GCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C2 71730337 NRSKWBXNLYYSHM-UHFFFAOYSA-N 376.438 0.541 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC3)c2)n(C)n1 95353344 YFWYHDCYAKERPA-AWEZNQCLSA-N 378.454 0.726 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3ccccc13)C2 95386015 OQWBYUOOBKTPQN-QWHCGFSZSA-N 377.470 0.906 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCOCC)CN1C(=O)c1ccc(C)nc1 96163590 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381.498 0.336 0 50 GCAA CCN1C[C@H](NS(=O)(=O)c2cccc(C(=O)N(C)CCOC)c2)CC1=O 95375344 WDPIITHXFFXONT-CQSZACIVSA-N 383.470 0.304 0 50 GCAA Cn1c(C(=O)NCc2noc(-c3c(F)cccc3F)n2)cc(=O)n(C)c1=O 95508035 JUPRNQGHUFLJMW-UHFFFAOYSA-N 377.307 0.342 0 50 GCAA CN1C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)Oc2ccccc21 97713560 MKGYMUHVQQDPPN-QGZVFWFLSA-N 375.450 0.890 0 50 GCAA CN(C)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 131065517 GZBDNAOIQZVUBA-SFHVURJKSA-N 386.496 0.453 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(=O)N(C)C)c2)on1 215729186 SNCAMZRYPJQAKF-UHFFFAOYSA-N 380.426 0.280 0 50 GCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CC(=O)N1CCOc3ccccc31)C2 247561416 YXKXSJPFISHXNT-GJZGRUSLSA-N 379.482 0.768 0 50 GCAA C[C@@H]1CCCC[C@H]1OCCN1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 262943437 NPZJHXNYPZMVMW-OWCLPIDISA-N 392.518 0.629 0 50 GCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@](O)(c2nc(C3CC3)no2)C1 275381176 YTCAZXUKKBWCSS-CQSZACIVSA-N 387.849 0.925 0 50 GCAA COc1ccc(-c2cccc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2)nn1 299764517 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CN1CC[C@]2(C(=O)NCCOCCO)CCCN(Cc3cnsc3)[C@H]2C1 1857671821 RQABSKHIRIVUGA-FUHWJXTLSA-N 382.530 0.555 0 50 GCAA CC(C)c1csc(CCNC(=O)[C@]23COC[C@H]2CN(S(C)(=O)=O)C3)n1 1857686607 DGMFQPDCKWHTRQ-MLGOLLRUSA-N 387.527 0.833 0 50 GCAA CN(C)CCN(C)C(=O)c1cc2c(s1)C1(CCN(C(=O)CO)CC1)OCC2 1857706721 OMYCLKVBZGDXIR-UHFFFAOYSA-N 395.525 0.764 0 50 GCAA O=C(N[C@H]1CS(=O)(=O)C[C@H]1n1ccnc1C1CC1)c1cnc2cccnn12 1875250457 AIVRJQYKMQXACD-GXTWGEPZSA-N 386.437 0.571 0 50 GCAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCO[C@H](c2nnnn2C)C1 2100537547 PPXLTCFKDQRXKF-NSHDSACASA-N 379.446 0.025 0 50 GCAA COc1ccc(S(=O)(=O)N2CCO[C@H](c3nn[nH]n3)C2)c2c1CCCC2 2100545712 ZOSYPARONSNPAD-AWEZNQCLSA-N 379.442 0.849 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nc(O)n[nH]2)CC[C@H]1NC1CCOCC1 2356169012 SDWAPUOCBGRQKC-NWANDNLSSA-N 381.477 0.859 0 50 GCAA CCn1cnnc1CCNS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67673491 YOPNCZMRZMZUGG-UHFFFAOYSA-N 385.471 0.224 0 50 GCAA CCN1CC2(CCN(C(=O)[C@@H]3Cc4ccccc4S(=O)(=O)N3)CC2)CC1=O 77439493 JTHUGSUIXNFPSI-HNNXBMFYSA-N 391.493 0.751 0 50 GCAA CCc1ccc(C(=O)N2CCN(C(=O)COC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77459381 PRLLDWHMUJSJHS-CVEARBPZSA-N 380.466 0.345 0 50 GCAA CSCC[C@H](NC(C)=O)C(=O)NCc1cc2n(n1)CCCN(C(C)=O)C2 82107065 VHLGTZYXHLIJMC-INIZCTEOSA-N 381.502 0.509 0 50 GCAA CCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC(N)=O)c2)nc1 95376160 KYQVZQCWMUKOTF-UHFFFAOYSA-N 376.438 0.338 0 50 GCAA CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O 95495881 YEGWXAYJKBXIEJ-QMROVXIMSA-N 393.392 0.825 0 50 GCAA CCCN1C[C@@H](NC(=O)c2cnc3sccn3c2=O)C[C@H]1C(=O)NCC 96132433 KREKGWKDHSPQKR-AAEUAGOBSA-N 377.470 0.475 0 50 GCAA C[C@H](NC(=O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)C(=O)N(C)C 111244888 NKOILOGAMXSXGG-INIZCTEOSA-N 396.495 0.859 0 50 GCAA COC(=O)c1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC)c1 227320134 JACVYRBSDVAZRZ-SYQHCUMBSA-N 375.333 0.853 0 50 GCAA Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 248003674 OUKPULRSQBWQHI-KCXAZCMYSA-N 396.513 0.288 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1=O 328615144 XUQHXYQZOJVWIF-GXTWGEPZSA-N 394.457 0.052 0 50 GCAA Cn1nccc1[C@@H]1OCC[C@H]1CN1CCN(S(=O)(=O)c2cccnc2)CC1 329011537 ZWGXMAGZZFTMON-MAUKXSAKSA-N 391.497 0.899 0 50 GCAA C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1N1CCOCC1 363609653 XTXHDLBLAODLSR-WMLDXEAASA-N 381.498 0.952 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCN1CCCOC1=O 426707258 SIPDTPMBQUUVNI-QGZVFWFLSA-N 388.468 0.644 0 50 GCAA COc1ccc(Cl)cc1CN(C)C(=O)N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1 584897345 GNXVCPBFTXPGCE-STQMWFEESA-N 380.832 0.589 0 50 GCAA CCC(=O)N[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@]2(O)CCO[C@@H]2C)C1 888097816 PPLPOCZZGMBMRZ-LPMFXHHGSA-N 388.472 0.861 0 50 GCAA CC(C)(C)NS(=O)(=O)CC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1318357340 BQFODYFJQKVKNZ-KRWDZBQOSA-N 396.469 0.075 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1C 1704312290 OSYLNZKWRXIYMX-DZGCQCFKSA-N 376.500 0.488 0 50 GCAA Cn1cccc1-c1cc(C(=O)N2CCCN(C(=O)Cn3cccn3)CC2)n[nH]1 1772709998 UBGIGOFPTBNXAI-UHFFFAOYSA-N 381.440 0.986 0 50 GCAA Cc1nn(C)c(C)c1Cc1nc(-c2nc[nH]n2)nn1[C@H]1CCCS(=O)(=O)C1 1875331150 RQARPKXNEVHOQB-LBPRGKRZSA-N 390.473 0.754 0 50 GCAA C=CC(=O)N1CCC(C(=O)N=c2ccn(CC(=O)NC)[nH]2)(c2ccccc2)CC1 1875370018 XPGFXKSVMWQTQK-UHFFFAOYSA-N 395.463 0.736 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnn(CC)c2C)C[C@H]1NC(=O)CO 2100482840 CDLHTISJWTXIOP-USXIJHARSA-N 380.489 0.900 0 50 GCAA Cn1cc(SCC(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)cn1 2325780295 WHTFVITZHIWOMH-HUUCEWRRSA-N 378.502 0.259 0 50 GCAA CCNC(=O)C[C@@H]1CN(C(=O)Cn2nc(C3CC3)n(C)c2=O)C2(CCC2)CO1 2325785205 KDFHZLGMDWJDMM-CQSZACIVSA-N 391.472 0.136 0 50 GCAA O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 2325861717 YSUMROGMBMJUIY-ZOZIMZAQSA-N 382.363 0.541 0 50 GCAA CCN1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 19624600 RXOSUDFVXYJIDF-UHFFFAOYSA-N 385.486 0.634 0 50 GCAA CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)CC1 55254272 FJBBVTBBSHDUCK-INIZCTEOSA-N 392.456 0.579 0 50 GCAA CNC(=O)CN(C)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67974807 BNQWTBHFTTVKIE-UHFFFAOYSA-N 385.468 0.810 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)nn(C)c1=O 71278917 UVDGLFMIHNYLCP-LBPRGKRZSA-N 382.424 0.858 0 50 GCAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3cc(NCCO)ncn3)CC2)C1 71757289 LZMLIJFEGSTHBB-OAHLLOKOSA-N 388.516 0.840 0 50 GCAA COc1nc2c(cc1C(=O)N1CCOC[C@@](O)(CN3CCCC3)C1)CCC2 77519657 LMDQVTYSSLKWAN-HXUWFJFHSA-N 375.469 0.878 0 50 GCAA O=C(Cn1ncnn1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96139817 GYUYKSFLDMRNAS-UHFFFAOYSA-N 382.432 0.251 0 50 GCAA Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 97756328 CXSQCLPWUGGDRX-OAHLLOKOSA-N 378.454 0.148 0 50 GCAA COC(=O)c1ccccc1CS(=O)(=O)N1CCS(=O)(=O)CC1(C)C 170599229 FDVITAQDAREBDM-UHFFFAOYSA-N 375.468 0.812 0 50 GCAA CCC[C@H](NC(=O)[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)N1CCc2sccc2C1 252515781 NKEIEVPOOJMEKN-IHRRRGAJSA-N 379.482 0.951 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)C(O)=NCC3)C[C@H]1c1ncc[nH]1 328615017 APRVDIPCOZTJER-HNNXBMFYSA-N 375.454 0.948 0 50 GCAA Cc1cccc(CC(=O)N2CCCN(C(=O)c3cn(C)c(=O)nc3O)CC2)c1 1529109516 CLHNNOONITUTGV-UHFFFAOYSA-N 384.436 0.712 0 50 GCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC[C@@H]1COCCO1)CC2 1775983100 RWYKRGZPKFKDSY-MRXNPFEDSA-N 391.516 0.667 0 50 GCAA CS(=O)(=O)CCC(=O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857673238 LUHIBTVRDUFUCQ-HOTGVXAUSA-N 380.466 0.450 0 50 GCAA CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1 1875241034 MGZZNMXJZJXWHA-ZBFHGGJFSA-N 381.498 0.778 0 50 GCAA O=C(N[C@@H]1CN(C(=O)c2ccnc3ccccc23)C[C@H]1O)c1cc2n(n1)CCC2 1875331308 DJDMAFSWAUCGGQ-RTBURBONSA-N 391.431 0.993 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCc2scnc2C)C[C@H]1NS(C)(=O)=O 2100534430 HYHOVQCJALLNKG-YNEHKIRRSA-N 375.516 0.843 0 50 GCAA O=C(C[C@@H]1CN(Cc2ccns2)C2(CCC2)CO1)NCCN1CCNC1=O 2325785417 XLVAAIDEOPFVRN-CQSZACIVSA-N 393.513 0.798 0 50 GCAA COc1cc(CNCCn2ccnc2)ccc1OC[C@H](O)CN1CCOCC1 19227284 KMQOTGZYRAIROF-GOSISDBHSA-N 390.484 0.753 0 50 GCAA CCN1Cc2nc(OC)c(CNC(=O)c3cnc4c(c3)nnn4C)cc2C1=O 71764299 IUNKTMLQKLTBIY-UHFFFAOYSA-N 381.396 0.673 0 50 GCAA Cn1cnnc1Sc1ccc(CN2CCN[C@@H](C(=O)N3CCCC3)C2)o1 72163507 BWBCJLFUYFGYDA-CQSZACIVSA-N 376.486 0.956 0 50 GCAA Cc1nn(CC(=O)NC[C@@H](C)N2CCOCC2)c(=O)n1CCc1ccccc1 77458002 CRGWGQUSGOBNDH-MRXNPFEDSA-N 387.484 0.433 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C[C@H]2CCCO)CC1 92080890 CRYYSRXWTGMNNZ-ZBFHGGJFSA-N 383.924 0.924 0 50 GCAA O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CC(=O)N(Cc2ccncc2)C1 95517571 BRJXNRBCDTWOPL-ZDUSSCGKSA-N 379.380 0.587 0 50 GCAA C[C@@H](NC(=O)Cn1nnnc1CN1CCc2ccccc2C1)c1nncn1C 95526211 CKQKBGDJLULBPF-CYBMUJFWSA-N 381.444 0.237 0 50 GCAA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)N(C)C[C@H]2C1 225619741 QSGSYSICPOPVPN-OCCSQVGLSA-N 383.445 0.814 0 50 GCAA CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NC(CO)CO 273361206 VYRLQPWTGJKHPP-HNNXBMFYSA-N 398.257 0.447 0 50 GCAA CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1 299751244 QAWPMXAHUVCABM-LBPRGKRZSA-N 392.437 0.724 0 50 GCAA COc1cccc(C(=O)NCC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 363685521 BANCXGUBIBKOKJ-IBGZPJMESA-N 388.424 0.262 0 50 GCAA O=C(NCC1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C1CCCC1 952867764 RLXHEJCNSVUSLU-HNNXBMFYSA-N 392.543 0.522 0 50 GCAA Cc1ccc(F)cc1S(=O)(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704345418 XQXQXYPMHYZZLF-AAEUAGOBSA-N 380.463 0.319 0 50 GCAA CCn1cc(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c(C)n1 1857715757 GPFYJBUNDUMOAA-RDJZCZTQSA-N 396.517 0.637 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N3CCN(C(=O)N(C)C)CC3)CC2=O)s1 1857726762 DSOSORJFFKHWPG-LLVKDONJSA-N 380.474 0.279 0 50 GCAA CC(C)C[C@H]1[C@@H](C(=O)NCCO)C[C@H]2CN(C(=O)c3cccn3C)CC(=O)N21 1857729398 YWWBGTOCTHWGKQ-ZOBUZTSGSA-N 390.484 0.221 0 50 GCAA O=C(O)c1cc2n(n1)CCN(CCNS(=O)(=O)c1ccc(Cl)cc1)C2=O 1875245586 GXTQPDOQFSUBPC-UHFFFAOYSA-N 398.828 0.669 0 50 GCAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)c1=O 719741 SKIZTOABRXIPIX-UHFFFAOYSA-N 397.313 0.971 0 50 GCAA biogenic COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCCO)c2)CC1 12112075 XITNUNPSZBFXGW-SFHVURJKSA-N 380.485 0.783 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(CCO)C(C)C)c(OC)c1 15073056 DALYEOVUPZIMKG-QGZVFWFLSA-N 393.484 0.624 0 50 GCAA Cc1cccnc1CN1CCN(C(=O)Cn2nnnc2CN2CCCC2)CC1 15078240 KZUYFRLTYPVDII-UHFFFAOYSA-N 384.488 0.317 0 50 GCAA O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N[C@H]1CCc2[nH]ncc2C1 178319112 IKFBWFICWUUNBV-HNNXBMFYSA-N 383.456 0.302 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1 328615729 YYBDFVWJEXTMBW-MCIONIFRSA-N 385.490 0.168 0 50 GCAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)Cn1c(C)cc(C)nc1=O)CC2 534634916 ONBDVBXQWZLWND-JTDSTZFVSA-N 376.457 0.535 0 50 GCAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)n[nH]2)s1 952972361 SIKZKZJTATZJSB-LLVKDONJSA-N 384.483 0.837 0 50 GCAA Cc1cccc(CN2C[C@@H]3CN(C(=O)CCC4=NNC(=O)CC4)C[C@]3(CO)C2)n1 1772814248 PRMSGJJMDJCDTQ-IERDGZPVSA-N 399.495 0.689 0 50 GCAA C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@]1(O)CC(=O)Nc2ccc(Cl)cc21 1875323615 NASNNLARKNFGOV-ZMZPIMSZSA-N 394.859 0.448 0 50 GCAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NC(=O)Cc1cc2ccccc2n1C 1875401560 LCXGQFCQIPXSJL-DOTOQJQBSA-N 380.452 0.943 0 50 GCAA COCCN1CCC[C@@]2(CCCN2C(=O)Cc2c(C)nc(C)nc2O)C1=O 2100483060 OZPKZAYAWCIKCE-LJQANCHMSA-N 376.457 0.972 0 50 GCAA CN1CCN(Cc2ccc(NC(=O)c3[nH]nc4c(=O)n(C)cnc34)cc2)CC1 2325785855 QRMOLYYQJFKPFL-UHFFFAOYSA-N 381.440 0.656 0 50 GCAA CC(C)(CC(=O)O)NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896583 AJZZBTJJTZDBQU-CYBMUJFWSA-N 387.392 0.431 0 50 GCAA CC1=C(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H](C)NC(=O)N1 67725623 PJENFELTSBJXQK-LBPRGKRZSA-N 392.481 0.931 0 50 GCAA OC[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@H]1CN1CCOCC1 91304116 URIPVMPVXDPYPG-RTBURBONSA-N 375.517 0.839 0 50 GCAA Cc1cnn([C@@H](C)C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c1 91746844 MIJMEMDPKBDHCS-ZDUSSCGKSA-N 380.474 0.431 0 50 GCAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 91817545 XDRVUKUBWPZDLE-UHFFFAOYSA-N 382.432 0.118 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC[C@@H](N)C1)CC2 92019415 MCUXFBCJABEEHN-UONOGXRCSA-N 375.473 0.386 0 50 GCAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 92046459 WLWLFXBLBVSYPY-MRXNPFEDSA-N 375.473 0.662 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 95509283 FEIFGWAQDVXWLI-CQSZACIVSA-N 379.442 0.859 0 50 GCAA Cn1c(O)nc(=O)c2nc(CCC(=O)NCc3ccc(C(=O)O)cc3)c(O)nc21 253630354 MOCORYJECJHQDC-UHFFFAOYSA-N 399.363 0.082 0 50 GCAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCCn2cccn2)cn1 275305861 HMEAQTWVIQVZKH-OAHLLOKOSA-N 380.474 0.671 0 50 GCAA Cn1ccnc(N2CCC[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)c1=O 275710090 NSCBFAZOGLXLLA-OAHLLOKOSA-N 394.439 0.084 0 50 GCAA CN(C)c1ncccc1CNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 365117065 NNVVGPOGQMIUMX-OAHLLOKOSA-N 381.502 0.857 0 50 GCAA CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 365277926 KXZOOAYHIHUKTP-AVGNSLFASA-N 377.532 0.474 0 50 GCAA COc1ccc(-n2ccnc2CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1616085067 XYNHLNBMDQXKDY-PBHICJAKSA-N 394.497 0.565 0 50 GCAA O=C(COc1ccccc1)N1C[C@H]2CN(C(=O)Cc3ccncc3)C[C@]2(CO)C1 1772712828 ZYYGFFJCVGXZQC-XMSQKQJNSA-N 395.459 0.982 0 50 GCAA COc1cccc(C(=O)N2CCC(C(=O)N[C@H]3CCO[C@H](CO)[C@H]3O)CC2)c1 1857676629 JZTVIVJHGDPZDX-KSZLIROESA-N 392.452 0.174 0 50 GCAA CN1CC[C@]2(C(=O)NCc3ccon3)CCCN(C(=O)c3ccc(=N)[nH]c3)[C@H]2C1 1857690558 NGWOJJLOQHFCMY-OXJNMPFZSA-N 398.467 0.725 0 50 GCAA O=C(Cc1cccnc1)N1CC[C@@]2(C1)Cn1c(nnc1-c1cnccn1)CO2 1857691027 XVXBOLSNAPUAIR-LJQANCHMSA-N 377.408 0.874 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857720908 PWBQUGNWTDCQIQ-DAYGRLMNSA-N 393.465 0.356 0 50 GCAA CN1C[C@@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)CC(C)(C)O)C2 1875395623 GZSLBSGBEZWDOQ-HNNXBMFYSA-N 389.500 0.332 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NC[C@H]4CCCCCN4)cccc3C2=O)C(=O)N1 2325895711 HJDXFMVYFKGBLB-CXAGYDPISA-N 398.463 0.710 0 50 GCAA Cn1nnnc1[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 2356143729 UNZWIQSQYRZZPU-NSHDSACASA-N 377.348 0.991 0 50 GCAA C[C@]1(O)CC2(CCN(CC(=O)N3CCOc4ccccc43)CC2)OC[C@@H]1O 2356145212 GMWXTXZGOLHZBN-HKUYNNGSSA-N 376.453 0.779 0 50 GCAA NC(=O)c1noc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356152613 RPXPYANVRYPQMK-SNUQEOBHSA-N 377.445 0.429 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)CN2C1=O 14540128 BGQPGQMUJFEKBM-KKUMJFAQSA-N 377.420 0.544 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3cccc(OC)c3)nn2)CN1 67446681 SYBKYPQORKNCJH-HIFRSBDPSA-N 386.456 0.601 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)NC3CCCCC3)nn2)CN1 67833422 HODXZZYRXWOQHJ-HOTGVXAUSA-N 377.493 0.791 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3ocnc3C)C2)nn(CCN(C)C)c1=O 71279041 GAJCQTBFZKQOGX-CQSZACIVSA-N 376.461 0.943 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)CCn3ccnc3)CC2)C1 71682232 TVHVRZHIALCNEA-KRWDZBQOSA-N 391.516 0.739 0 50 GCAA O=C(C[C@H]1COCCN1C(=O)c1c[nH]c(=O)c(Cl)c1)NCCN1CCCC1 72478802 UFRSNCOPZTZSKJ-AWEZNQCLSA-N 396.875 0.471 0 50 GCAA CCCN1CCN(C(=O)c2cnn3cc(C)cnc23)[C@H]2CS(=O)(=O)C[C@H]21 77299250 DDNNYCMYFSMLBV-CABCVRRESA-N 377.470 0.371 0 50 GCAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 95496509 OJVANFIJQKQAIY-HNNXBMFYSA-N 390.465 0.742 0 50 GCAA O=C(CCCn1nnnc1CN1CCc2ccccc2C1)N1CCC(O)CC1 95521649 BXWWCQVXZKDWBN-UHFFFAOYSA-N 384.484 0.995 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CCO)CN1C(=O)c1cc(C)oc1C 96149726 XJVDESQKLAKSHL-HOCLYGCPSA-N 379.457 0.847 0 50 GCAA Cn1cnc(S(=O)(=O)N2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)c1 97578425 FTTCMTHQGRKJNH-CXAGYDPISA-N 382.486 0.760 0 50 GCAA CN1CCN(C(=O)c2cccc(NC(=O)NC[C@]3(O)CCCNC3)c2)CC1 97766543 WKCPAEUKVLWLFK-IBGZPJMESA-N 375.473 0.310 0 50 GCAA CCc1nc(C2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)n[nH]1 191508322 UAIHDDXSMYKKRS-UHFFFAOYSA-N 383.456 0.718 0 50 GCAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1C(=O)O)C2 222786755 JITUPKIQGWZZDZ-MRXNPFEDSA-N 379.438 0.675 0 50 GCAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1c(Cl)nc3ccccn13)C2 328636069 VINDHYXXBGAEIZ-UHFFFAOYSA-N 379.829 0.828 0 50 GCAA Cn1nc2c(c1C(=O)N1C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]31)CCCC2 426405426 ABPGIPUVTQPYPC-IDVHHABFSA-N 375.469 0.927 0 50 GCAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)N3CCN(C)CC3)C[C@@H]21 1073383678 JTQPDGBWDJKNDR-KXBFYZLASA-N 375.425 0.925 0 50 GCAA O=C(NCCCN1CCOCC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772808907 FGTPTMHDHXONKX-OAHLLOKOSA-N 394.541 0.923 0 50 GCAA O=C(Cn1cnnn1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857672235 DGWUIKYVBSLXRN-IBGZPJMESA-N 392.423 0.737 0 50 GCAA CCS(=O)(=O)Cc1ccc(NC(=O)C(=O)N=c2cc3n([nH]2)CCC3)cc1 1875305328 QSMDAKSLMSQLPC-UHFFFAOYSA-N 376.438 0.763 0 50 GCAA COc1nn(C)cc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397685 KFMUGHXIESCVLP-OAHLLOKOSA-N 387.488 0.906 0 50 GCAA Cc1cc(=N[C@@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)[nH]c(-c2ccccn2)n1 1875398978 KTNWSRMPNDWBID-CQSZACIVSA-N 393.451 0.357 0 50 GCAA COc1nc(C(=O)N2CCCCN3CCCC[C@H]3CC(=O)NCCC2)nn1C 2100532828 CCPYZLJLNNISAA-HNNXBMFYSA-N 392.504 0.811 0 50 GCAA CCN(CC(C)C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(CCOC)CC1 2332237853 OKTXGTPRBVPIQC-HUUCEWRRSA-N 388.530 0.837 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@]23CCCN(C)C3=O)ccc1OC 2356133833 GSZLEVLYODLOGL-SFHVURJKSA-N 395.481 0.830 0 50 GCAA Cc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1 2879196 CCGRSCOTRGGFLE-UHFFFAOYSA-N 375.428 0.712 0 50 GCAA Cc1noc(C)c1C(=O)N[C@H]1CN[C@H](C(=O)NCc2ccc3nonc3c2)C1 67605812 WKXPXSFLYOWIBK-DOMZBBRYSA-N 384.396 0.604 0 50 GCAA Cc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 77298339 CKDNBGBFBVGZKA-LSDHHAIUSA-N 386.495 0.186 0 50 GCAA O=C([C@H]1CCCO1)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77440056 WSEQEMDHFSBINE-MRXNPFEDSA-N 380.466 0.771 0 50 GCAA CCc1nc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77506154 REIHBZCEIGERND-UONOGXRCSA-N 379.511 0.983 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(=O)c1ccco1)CC2 95510885 FEOOULRYOVTBNR-UHFFFAOYSA-N 386.408 0.734 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 95522062 ZSPOXVIRYPYVQW-UHFFFAOYSA-N 398.467 0.784 0 50 GCAA COCCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1=O 268336848 GDOQAVVZIKDSDA-UONOGXRCSA-N 375.425 0.412 0 50 GCAA N=c1nn[nH]n1CC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 426510075 IWIAMKGYZXYHPS-LJQANCHMSA-N 389.504 0.897 0 50 GCAA CCOCC(=O)N1C[C@@H]2CN(C(=O)C3CCN(C)CC3)C[C@@]2(CCC(=O)O)C1 1772819725 QYFOCQKPAVGRQW-OXQOHEQNSA-N 395.500 0.517 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cccc(-c4noc(C)n4)c3)CCO2)n1 1857713921 XLYWMRKTJUJFFD-OAHLLOKOSA-N 399.411 0.892 0 50 GCAA COc1cccc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1 1857716908 GLKXGQOOYKXJMZ-RYRKJORJSA-N 375.469 0.674 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CCO2)n1 1857717373 MYADICLEZNXMHD-CQSZACIVSA-N 388.428 0.689 0 50 GCAA O=C(Cn1cncn1)N1CCC[C@@H]([C@H]2CCN(C(=O)C3CCOCC3)C2)C1 1875322364 QGJYJTORSFPOBO-SJORKVTESA-N 375.473 0.792 0 50 GCAA CCc1nc([C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)Cc3c[nH]nc32)n[nH]1 1875393422 NGSOLFWTWLMYON-AWEZNQCLSA-N 387.488 0.923 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C3CC3)nc1O)C2 1875396148 XECMYWHRUIAHDK-LBPRGKRZSA-N 379.438 0.040 0 50 GCAA CN(Cc1cn(C)nc1C(F)(F)F)c1cc(N2C[C@H](O)C[C@@H]2CN)ncn1 1875397218 QEUCPSSOQUIUPW-VXGBXAGGSA-N 385.394 0.764 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N2CCO[C@@H](c3nnn(C)n3)C2)n1 2100542624 BADKZZLUGOMRBM-CQSZACIVSA-N 399.411 0.801 0 50 GCAA Cc1cc([C@H](O)[C@@H](C)NC(=O)[C@](C)(O)CN2C(=O)NC(C)(C)C2=O)ccc1F 2325861269 KUBGAGYYFPXPKO-FRGNPEFRSA-N 395.431 0.754 0 50 GCAA O=C(O)[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O 5785315 TYDGGWYIJKMLEO-JHZZJYKESA-N 399.193 0.873 0 50 GCAA in-vitro CCOCCn1c(=O)n(C[C@@H](C)N2CCOCC2)c2cc(C(=O)O)cnc21 55358733 ZCOJZJJEJOBLHJ-CYBMUJFWSA-N 378.429 0.653 0 50 GCAA Cc1cccc(OCCc2nnc(NC(=O)Cn3[nH]c(=O)ccc3=O)s2)c1 55414168 HAYGHWWJRFMBMO-UHFFFAOYSA-N 387.421 0.957 0 50 GCAA CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)CC1 63833029 QDVLFKJKASOJLO-HNNXBMFYSA-N 378.429 0.271 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cc(C)nn3C)CC2)C1 71589740 LINJIZBXHGWXJI-INIZCTEOSA-N 391.516 0.808 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(OCCO)c1)CCN2CC1CC1 72431892 BZPMILNEACNJHZ-MOPGFXCFSA-N 380.510 0.751 0 50 GCAA CCCN1CCN(Cc2cccc(OCC(N)=O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72439370 SKSLXLRBCVQALW-SJORKVTESA-N 381.498 0.244 0 50 GCAA 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)CN(C)C 77313259 CTYJDHSTNLOUMT-PJOQTPGLSA-N 397.468 0.649 0 50 GCAA in-vitro CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCc5ccncc5)C(=O)[C@H]24)O3)CC1 77343435 NJTFTFVIMDSIDJ-NTLWEQJWSA-N 382.464 0.180 0 50 GCAA NC(=O)[C@H]1CCCN1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 77539068 QMIUQUSPBOFHAG-OAHLLOKOSA-N 398.419 0.483 0 50 GCAA O=C(CCN1CCOCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95503844 CIKGJBAACSLXKC-GOEBONIOSA-N 378.498 0.815 0 50 GCAA CN(CCO)Cc1nnc(C2CCN(C(=O)CN(C)C3CCCC3)CC2)n1C 96162495 FAGPNBIODPVEDX-UHFFFAOYSA-N 392.548 0.820 0 50 GCAA Cc1ccnn1CCC(=O)N1CCN(C(=O)C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 213188595 WOLMICOFQKUJCB-CABCVRRESA-N 382.486 0.074 0 50 GCAA COCCn1nnnc1[C@H]1CN(Cc2cnc(N3CCCC3)s2)CCO1 214958872 DPKFDJNHYZBJMA-CQSZACIVSA-N 379.490 0.950 0 50 GCAA Cn1cc([C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C2CC(O)C2)cn1 219115922 HZDXVOFHCJSVDA-TZDAIYRESA-N 379.438 0.982 0 50 GCAA COc1ccc([C@@H]2C[C@@H](C(=O)NCc3cccnc3)N(C)S(=O)(=O)N2)cc1 222473088 QGHGEDRFIUYTRU-IRXDYDNUSA-N 390.465 0.986 0 50 GCAA NC(=O)c1csc(S(=O)(=O)N2CCC(CO)(CN3CCCC3)CC2)c1 223542749 ZXFVPEOPXBTFKY-UHFFFAOYSA-N 387.527 0.706 0 50 GCAA O=C1N[C@@H](CCC(=O)N2CCN(c3cnccn3)CC2)C(=O)Nc2ccccc21 253412904 SKRTXAVOZJVISO-INIZCTEOSA-N 394.435 0.656 0 50 GCAA biogenic CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Cn1nnc(-c3ccccc3)n1)C2 286774947 UGMHBZKMEREXTP-IRXDYDNUSA-N 397.483 0.540 0 50 GCAA COCCCN(C(=O)[C@H]1C[C@]12CCOC2)c1c(O)nc(=O)n(CC(C)C)c1N 373405769 HZTBDGWKUPYJJG-YJYMSZOUSA-N 394.472 0.983 0 50 GCAA COc1ccccc1OC1CN(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)C1 584901088 TYYBWQNMBSIAAI-CYBMUJFWSA-N 399.469 0.128 0 50 GCAA Cn1cnn(CC(=O)N2Cc3cnn(-c4ccccn4)c3CC(C)(C)C2)c1=O 952893146 SHNYNLRGLBMYJN-UHFFFAOYSA-N 381.440 0.774 0 50 GCAA CCNC(=O)C[C@H]1CN(C(=O)Cn2nc(C3CC3)n(C)c2=O)C2(CCC2)CO1 2325785204 KDFHZLGMDWJDMM-AWEZNQCLSA-N 391.472 0.136 0 50 GCAA Cc1cc(=NC(=O)N2CCO[C@H](CNS(C)(=O)=O)C2)[nH]n1[C@@H](C)C1CC1 2325828471 ICZJLBFJAZLIAK-GXTWGEPZSA-N 385.490 0.366 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3ccc(CCCN=c4ccnc[nH]4)cc3C2=O)C(=O)N1 2325895602 FAVWJJNTMGCYCA-OAHLLOKOSA-N 393.403 0.344 0 50 GCAA C[C@@]1(NC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCCNC1 2325896370 XDEOTPLDMYRXNZ-FOIQADDNSA-N 384.436 0.320 0 50 GCAA O=C(CCn1c(CO)nc2ccccc21)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 2356141138 WKUZCUMPKVRWMY-OXQOHEQNSA-N 386.452 0.408 0 50 GCAA Nc1cncc(-c2ccc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)cc2)n1 2356155774 MIISFWNJOROHIQ-OAHLLOKOSA-N 381.436 0.829 0 50 GCAA COc1ccnc(N2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)n1 2356164517 WDPUOXAEQKEQIO-MSOLQXFVSA-N 397.435 0.390 0 50 GCAA C[C@H](NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)c1nnn[nH]1 67852479 PDFTXOWUQGNCAB-AWEZNQCLSA-N 396.455 0.997 0 50 GCAA COCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2cnn(C)c2C)c1 95366550 BTOPZNAOTHKHHW-UHFFFAOYSA-N 380.470 0.925 0 50 GCAA CN(C)C(=O)CCc1cccc(NC(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)c1 95502412 ATVJVSHBMINOGT-KRWDZBQOSA-N 387.484 0.698 0 50 GCAA Cc1ccccc1CN1CCCN(C(=O)Cn2nnc3c(cnn3C)c2=O)CC1 135464946 AWWTUYWVRINONN-UHFFFAOYSA-N 395.467 0.568 0 50 GCAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N2CCN(Cc3cccc4ncccc34)C[C@@H]12 215940165 KJULVXQMMBNJHD-MOPGFXCFSA-N 390.447 0.712 0 50 GCAA C[C@H](CCN1CCOCC1)NS(=O)(=O)c1cccc(C(=O)NCCF)c1 215980209 COIKHWSQJLVHDZ-CQSZACIVSA-N 387.477 0.775 0 50 GCAA Cn1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[nH]c1=O 223734101 PSOXBEDSSOTXON-AJUCZRQESA-N 380.404 0.864 0 50 GCAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 247945981 JVPBHEIFXIBMHA-CABCVRRESA-N 383.518 0.688 0 50 GCAA O=C(N[C@H]1COC[C@@H]1O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 534586846 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CC(=O)N1CCc2ncc(CNC(=O)c3cccc(-n4cnnc4)n3)cc2C1 1875250854 MQIFLCQSKYTQBR-UHFFFAOYSA-N 377.408 0.892 0 50 GCAA CO[C@H]1C[C@@H](CNC(=O)c2cccc3c2NC(=O)CO3)N(c2ccncn2)C1 1875393631 RAMOGZIHOQYRRL-STQMWFEESA-N 383.408 0.831 0 50 GCAA CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccnc(N3CCCC3)n1)C2 2325782223 GJKCNPWHWGUYMF-KBPBESRZSA-N 379.486 0.762 0 50 GCAA CCO[C@@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1 5592934 ULBLUAFHNLHIND-BKQXGZDCSA-N 376.358 0.263 0 50 GCAA in-vitro Cn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2F)n(C)c1=O 8701224 GWGJFRLRJPHMSY-UHFFFAOYSA-N 386.431 0.421 0 50 GCAA OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 36271892 FSKMJUWPFLDDRS-VRQAJEBUSA-N 383.408 0.537 0 50 GCAA Cn1c(C(=O)N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)n(C)c1=O 67588601 PRBJPXCEOSLFLM-CYBMUJFWSA-N 399.403 0.548 0 50 GCAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-n2cnnc2)cc1 71763951 WHULBJFYFFZQLI-HNNXBMFYSA-N 379.380 0.473 0 50 GCAA COc1ncccc1C(=O)N1CCN(C(=O)CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72478157 RVYXSQOLJQOJKU-CABCVRRESA-N 395.481 0.586 0 50 GCAA CN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@@]12CCNC(=O)CC2 95381421 RHJUMESVPHSNKD-LJQANCHMSA-N 383.456 0.153 0 50 GCAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)n1 95386290 PFAIAJOSCUVEQS-WCQYABFASA-N 387.406 0.990 0 50 GCAA COCCn1cncc1CN1CCCN(S(=O)(=O)N2CCCCC2)CC1 244882798 XZDXRTDDXUOYGL-UHFFFAOYSA-N 385.534 0.768 0 50 GCAA Cc1cc2c(NC(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)cccc2nn1 299777582 FGNHGZKTCWLLQC-LBPRGKRZSA-N 379.442 0.720 0 50 GCAA CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC 324423318 ZEALXTHRAGWFBQ-JTQLQIEISA-N 376.818 0.946 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1=O 328611408 LIZOEUAOBXBLFC-IHRRRGAJSA-N 385.490 0.342 0 50 GCAA Cn1c(=O)n(Cc2nnc3n2CCOC3)c(=O)c2ccc(C(F)(F)F)nc21 333255219 LARWDLJKVQSKFE-UHFFFAOYSA-N 382.302 0.284 0 50 GCAA CCNc1ccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)nn1 534590934 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380.470 0.675 0 50 GCAA CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1csc(S(N)(=O)=O)c1 170628285 LMILLGCLUOWQFH-AWEZNQCLSA-N 388.559 0.884 0 50 GCAA Nc1cc(N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)nc(N)n1 214825589 IHQXSMWGMNDCIK-HOTGVXAUSA-N 387.463 0.542 0 50 GCAA O=C(CCN1CCCn2nc([C@@H](O)CO)cc2C1)NCc1ccc(F)cc1 222505214 WOJPRSGEMWAFBS-SFHVURJKSA-N 376.432 0.960 0 50 GCAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)CN2CC(=O)NC2=O)cc1 247872656 FIHHYIQXVDVTRU-CVEARBPZSA-N 386.452 0.670 0 50 GCAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1ccc(OCC(=O)O)cc1 299748679 HVIZOQRUSGNFAS-OAHLLOKOSA-N 384.454 0.623 0 50 GCAA C[C@H](NC(N)=O)C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 331518213 JEWYKZBSFCXSAO-RDJZCZTQSA-N 387.484 0.379 0 50 GCAA COC(=O)Cc1c(O)oc2c(CN[C@@H]3CCS(=O)(=O)C3)c(=O)ccc-2c1C 334158200 XXPOBMBQAMLWBY-LLVKDONJSA-N 395.433 0.751 0 50 GCAA Cc1nc(C)c(C(=O)NCC2CCN(C(=O)C3=NNC(=O)CC3)CC2)s1 952980831 FWCKHAOEKFMMRW-UHFFFAOYSA-N 377.470 0.994 0 50 GCAA CNC(=O)c1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)nc1 1320717018 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GCAA Cn1nc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c2c1CCNC2 2325795657 RYAMVNKPJXNDGT-HNNXBMFYSA-N 383.452 0.915 0 50 GCAA CCOc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 784413 JKDDASYZKYXKFJ-UHFFFAOYSA-N 383.470 0.575 0 50 GCAA COc1nc2c(cc1CNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C1CCCC1)C2 71589535 PETGWHASYGONCV-HNNXBMFYSA-N 387.440 0.628 0 50 GCAA Nc1nc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c2nc[nH]c2n1 71753306 MZJIILQZKSDTCN-LBPRGKRZSA-N 384.488 0.895 0 50 GCAA O=C(COc1ccccc1N1CCCC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 77387836 OAMYPEKURJUFGC-GOEBONIOSA-N 379.482 0.263 0 50 GCAA COc1ccnc(N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)n1 91255239 UOPNUKWZRFHDIY-UHFFFAOYSA-N 378.458 0.522 0 50 GCAA CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91595970 BAWUJRUIPRBEKM-DZGCQCFKSA-N 380.470 0.084 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2 95516443 GXGSKHACWVEQTM-CQSZACIVSA-N 386.456 0.716 0 50 GCAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 127359327 LYNWFDKBHLQKLL-IBGZPJMESA-N 384.480 0.383 0 50 GCAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccnc(N(C)C)c2)cn1 328641893 YFLTVCDICZLCBZ-OAHLLOKOSA-N 377.470 0.976 0 50 GCAA CNC(=O)CCc1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1 952962176 AHNLYPAZFXESJO-UHFFFAOYSA-N 382.468 0.916 0 50 GCAA CN1CCC[C@]2(C(=O)O)CCN(c3cc(N)nc(N4CCOCC4)n3)C[C@@H]12 1704339136 CJSQWOHPVKLGTC-ACJLOTCBSA-N 376.461 0.271 0 50 GCAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3CC(C)(CO)CO)C1 1857527870 NRRCXNYOMBXWHT-GOSISDBHSA-N 377.445 0.597 0 50 GCAA NC(=O)Cc1nc(C[C@@H]2CCCN(c3nc4ncccc4o3)C2)n(CCCO)n1 1857740450 OJFAULNCFIHNPC-ZDUSSCGKSA-N 399.455 0.684 0 50 GCAA C[C@]1(C(=O)N2CCNS(=O)(=O)CC2)CCCCN1C(=O)c1ccccc1 1875299604 PTNWIYDHTQOQLO-GOSISDBHSA-N 379.482 0.833 0 50 GCAA COCCn1nc2c(c1C(=O)N1CC(O)(c3ccnn3C)C1)C[C@H](C)O[C@@H]2C 1875315767 GQXKOEAVUVPQLE-QWHCGFSZSA-N 389.456 0.629 0 50 GCAA CCOC(=O)C1(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC2(CCC2)C1 1875347614 RCRQPHDXMRPGGK-ZDUSSCGKSA-N 380.441 0.780 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)N(C)Cc2nc(C)no2)CC[C@H]1NC(=O)c1[nH]nnc1C 2100537500 OKRGMGJHPURRBR-YNEHKIRRSA-N 391.432 0.377 0 50 GCAA C[C@@H]1CN(C(=O)CCNC(=O)c2ccc3c[nH]nc3c2)C[C@@H]1N1CCOCC1 2325737726 ZJWKOCBCOGCRKT-KDOFPFPSSA-N 385.468 0.862 0 50 GCAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCn1cc(Br)c(O)nc1=O 2325804790 QKYLKYLWXXCNDA-BXKDBHETSA-N 385.262 0.700 0 50 GCAA O=C(NCCCc1nn[nH]n1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356142969 PACUTWWXRNKEED-TVZGQMOCSA-N 381.440 0.580 0 50 GCAA Cn1ccc(=NC(=O)CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)[nH]1 2356152015 MQGPGNMJRYKJAF-JXXFODFXSA-N 389.500 0.541 0 50 GCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 12072519 FJQLEUPYPLYTED-CQSZACIVSA-N 378.498 0.631 0 50 GCAA O=C(Cn1nnnc1CN1CCCC1)NCc1cnn(Cc2ccccc2)c1 12091804 MZGKRQGXGZQBIN-UHFFFAOYSA-N 380.456 0.830 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCN(C)C(=O)C3)C2=O)c1 71748248 AHOHRTWANXLFTG-LJQANCHMSA-N 379.432 0.462 0 50 GCAA CC(=O)N1CCN(Cc2ccc(Cn3cccn3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72476058 LUAWUJLIMOFFNV-RBUKOAKNSA-N 388.493 0.761 0 50 GCAA Cc1nnc(SCC(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 77438128 MWDRATHGUGDCEY-OLZOCXBDSA-N 388.515 0.436 0 50 GCAA CN(C)CC(=O)N1CCN(C(=O)CC2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 82098669 PPXZBHHXEUICDX-JKSUJKDBSA-N 385.530 0.355 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)nn1C)CC2 91650861 MTNDBXBAVYVMQI-UHFFFAOYSA-N 386.456 0.614 0 50 GCAA O=C(CN1CCOC1=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95530710 VRCGJSOZVSNULO-UHFFFAOYSA-N 387.440 0.474 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1C(=O)CC 96152423 LVUJYWZBRHQCCF-DOMZBBRYSA-N 377.441 0.949 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2oc(C)nc2C)CN1Cc1nc(C)no1 96163172 GFDJTIYXPIHXGC-STQMWFEESA-N 376.417 0.492 0 50 GCAA Cn1c(=O)c2[nH]c(SCC(=O)c3ccc4c(c3)OCCO4)nc2n(C)c1=O 100659005 OYHPHDDINNRMDM-UHFFFAOYSA-N 388.405 0.707 0 50 GCAA NC(=O)NC(=O)CCn1c(=O)ccn(Cc2cccc(Br)c2)c1=O 155120523 DBDUJSHRAKHRNF-UHFFFAOYSA-N 395.213 0.406 0 50 GCAA CC(=O)NC1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 170604656 KTTXGEVLSQMGLJ-ZDUSSCGKSA-N 383.445 0.573 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)CCN3CCN(c4ccccc4)CC3)C2=O)cn1 174971511 UFMXKMKMIOOVHP-LJQANCHMSA-N 396.495 0.854 0 50 GCAA O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCCN1C(=O)c1ccco1 299085378 YVNFSMNTSYWAAA-CQSZACIVSA-N 383.470 0.121 0 50 GCAA O=C(C1CCC1)N1CCn2nc(CNS(=O)(=O)N3CCCCC3)cc2C1 299800714 XWGXUFAEYJDXRL-UHFFFAOYSA-N 381.502 0.846 0 50 GCAA Cc1cc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nc(N)n1 426396325 AQNFJIGODFHFFF-AWEZNQCLSA-N 386.504 0.836 0 50 GCAA Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1C 670471215 YUGQQPIIKBZDNN-UHFFFAOYSA-N 384.506 0.168 0 50 GCAA O=C1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)C[C@@H](CO)N1 886068579 CSIITEUPNGHECF-AWEZNQCLSA-N 380.466 0.483 0 50 GCAA CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc3oc(O)nc3c2)CC1 952990261 HMVKXGXQPONZRU-UHFFFAOYSA-N 382.442 0.318 0 50 GCAA O=C(COc1ccccc1)N1C[C@H]2CN(C(=O)Cc3ccncc3)C[C@@]2(CO)C1 1772712825 ZYYGFFJCVGXZQC-GCJKJVERSA-N 395.459 0.982 0 50 GCAA O=C1CN(C(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCN1 1857700835 IKOBIJTZTXXEPT-ZDUSSCGKSA-N 385.449 0.440 0 50 GCAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3CC(C)(CO)CO)C1 1875269236 OQJAPTNSWBGFPH-CYBMUJFWSA-N 377.445 0.597 0 50 GCAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 1875286061 DICRSYHMLVVNAT-KBXCAEBGSA-N 383.452 0.898 0 50 GCAA CCOC(=O)N1CCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 19799376 UIBLPSLVGSKEQL-JKSUJKDBSA-N 380.441 0.978 0 50 GCAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(N)=O)CC1)c1ccccc1 67772593 DZRVZNGQBOYFDE-INIZCTEOSA-N 385.424 0.858 0 50 GCAA COCCN1CCC[C@@](O)(CN2CCN(c3nc(C)cnc3C)CC2)C1=O 67852170 DZXFXFKWZDFGJH-LJQANCHMSA-N 377.489 0.215 0 50 GCAA O=c1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)[nH]c(=O)[nH]1 72154408 ZOGFASLODXFAJS-MRXNPFEDSA-N 387.459 0.989 0 50 GCAA NCC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77323555 WQMKUAFGNCAJQR-UHFFFAOYSA-N 389.477 0.887 0 50 GCAA CCCCc1nn(CC(=O)N2CCNC(=O)C2)c(=O)n1CCc1ccccc1 77406606 UPUQVTQIMDIECT-UHFFFAOYSA-N 385.468 0.589 0 50 GCAA Cc1nnnn1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 82138516 DBKPZWNETXIHMY-SFHVURJKSA-N 377.493 0.164 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 91441786 JRYVJYQYVRFNNQ-NSHDSACASA-N 379.417 0.662 0 50 GCAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)CCn2cnnn2)CC3)cn1 91915205 VOHQTADMXUPQPY-UHFFFAOYSA-N 398.471 0.593 0 50 GCAA O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H]1CC(=O)N(Cc2ccncc2)C1 95375291 YPEQRALXDNWGLV-AWEZNQCLSA-N 377.404 0.983 0 50 GCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1nc(C)c(C(C)=O)c1C)C2 95515258 MUFURIAQBWJAOC-JKSUJKDBSA-N 376.457 0.798 0 50 GCAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1=NN(CCO)C(=O)CC1 136519464 CGPNDWSWMREAMG-UHFFFAOYSA-N 376.432 0.877 0 50 GCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 268985258 QAADEARLKRLSOP-KRWDZBQOSA-N 393.509 0.610 0 50 GCAA CCn1c(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)nc2ccccc21 299784590 HUAZCZRRHRCBFZ-GDBMZVCRSA-N 381.502 0.387 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1=O 328611411 LIZOEUAOBXBLFC-RDBSUJKOSA-N 385.490 0.342 0 50 GCAA C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cnc2n1CCCC2 377138191 CFAIRBADZZPJLY-SFHVURJKSA-N 389.456 0.451 0 50 GCAA COc1ccc2c(c1)CCN(C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1)C2 584884360 ONXLMKMDPDOEPX-MRXNPFEDSA-N 383.470 0.423 0 50 GCAA COCC[C@@H]1COCCN1c1ncnc2c1ncn2C[C@@]1(O)CCO[C@@H]1C 888098101 ZOGAZLJUKNYUMB-LBTNJELSSA-N 377.445 0.608 0 50 GCAA O=C(N1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1)C1(O)CNC1 952894514 NNVBBVFEXKZHTD-CQSZACIVSA-N 383.330 0.498 0 50 GCAA Cn1cnc(S(=O)(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(N)=O)cc2)c1 1565529730 MFPNJEHVYMIKMI-KBPBESRZSA-N 380.426 0.034 0 50 GCAA Cc1nc(N2C[C@@H]3[C@H](CN(C)CCCO)[C@H]4CC[C@]3(C2)O4)c2cnn(C)c2n1 1704310744 RYHVISAXCBAXHK-TVKQPGBESA-N 386.500 0.970 0 50 GCAA O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772818253 BCJYEEMJGUGRGZ-GFCCVEGCSA-N 399.538 0.778 0 50 GCAA CC(C)=C(F)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325878174 HBGDGZJUDUJWHT-OLZOCXBDSA-N 388.461 0.153 0 50 GCAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 2356165951 RJIKUJHSKFXTAT-SJCJKPOMSA-N 381.454 0.161 0 50 GCAA Cc1ccc(C(=O)N2CCN(c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)cc1 4818400 GUDIOPVLRHKULA-UHFFFAOYSA-N 382.424 0.231 0 50 GCAA Cc1sc2[nH]c(SCC(=O)N3CCN(CCO)CC3)nc(=O)c2c1C 19791125 FPIMAZZKTLCEPA-UHFFFAOYSA-N 382.511 0.830 0 50 GCAA CCN1CCN(C(=O)C2=CC(c3ccccc3OC)=NS(=O)(=O)N2C)CC1 20608769 NKTYFZAXFAGLBI-UHFFFAOYSA-N 392.481 0.723 0 50 GCAA CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H]2OC(C)(C)O[C@H]2[C@@H](OC(C)=O)[C@H]1OC(C)=O 39945505 XSWHBVWGSAGKTQ-AYCBFJCHSA-N 388.369 0.247 0 50 GCAA in-vitro CCOCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71752577 LYRIVJARAMGIKJ-KRWDZBQOSA-N 380.533 0.500 0 50 GCAA Cc1cccc(CN2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 72408650 PEOGEEBGQLDXDA-ZWKOTPCHSA-N 375.498 0.905 0 50 GCAA CC(C)CNC(=O)C[C@H]1COCCN1C(=O)c1ccc2c(=O)n(C)cnc2c1 72436184 SSZYBYUNXNYCCI-HNNXBMFYSA-N 386.452 0.937 0 50 GCAA CSc1nc(C(=O)N2CCOC[C@H]2CC(=O)NCc2n[nH]c(C)n2)cs1 72463216 XDYUPTGYXOAZER-SNVBAGLBSA-N 396.498 0.839 0 50 GCAA Cc1ccc(O)c(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c1 82126088 UNDVMUIVIHCNDX-UHFFFAOYSA-N 378.454 0.992 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)CCN1 188918807 MIUUBRPVSWGEKE-OAHLLOKOSA-N 393.447 0.833 0 50 GCAA CSc1cccc(CN2CCN3C(=O)[C@@H](Cc4cnc[nH]4)NC(=O)[C@@H]3C2)c1 216303713 CMICRDVCVOQCEH-SJORKVTESA-N 385.493 0.886 0 50 GCAA CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 277650400 YHXUZIJXQDENRD-RDJZCZTQSA-N 395.481 0.807 0 50 GCAA Cc1cc(NC(=O)CN2CCOCC3(CCC3)C2)n([C@H]2CCS(=O)(=O)C2)n1 371850929 AANJPUPFLYTODX-HNNXBMFYSA-N 396.513 0.992 0 50 GCAA NC(=O)Cn1cc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)nn1 378296596 DEQDNSTZGDCGKH-UHFFFAOYSA-N 382.468 0.892 0 50 GCAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H](CCSC)NC(C)=O)C2 426412751 JZEJFBQXQNSVBI-HNNXBMFYSA-N 381.502 0.509 0 50 GCAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCN2CCCC2=O)cc1OC 1529126340 CWKMVAVEQLEXPB-YLJYHZDGSA-N 392.452 0.977 0 50 GCAA Cc1cc(CN2C[C@H]3CN(C(=O)c4ccc(C)n(C)c4=O)C[C@]3(CO)C2)on1 1772810641 NLGVDJYWZJKKGH-YWZLYKJASA-N 386.452 0.557 0 50 GCAA COC(=O)COc1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1OC 1857715841 KUJGJWJFXRIANC-APWZRJJASA-N 376.409 0.780 0 50 GCAA CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCCC3)CC[C@H]2O)cc1 2100482695 RNBOVOAZQIQINY-USXIJHARSA-N 394.493 0.972 0 50 GCAA CC(C)c1nc(O)ccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 2100536847 BDPRMVNNIXADKC-UHFFFAOYSA-N 398.485 0.245 0 50 GCAA O=C(N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCNC1=O)c1ccnc(O)c1 2325852151 UUGGTIPWGFPGIK-BFYDXBDKSA-N 380.404 0.435 0 50 GCAA CCN1CCNC(=O)[C@H]1CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356168128 QVGODCQRVSHMHS-QGZVFWFLSA-N 396.495 0.464 0 50 GCAA CC1=NN(CCN(C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 10108818 XTFZSKQSMKDYOD-UHFFFAOYSA-N 395.467 0.762 0 50 GCAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2CC(=O)c2ccccc2)n(C)c1=O 20029282 INTUHPHZWAMJSJ-UHFFFAOYSA-N 397.435 0.149 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCNC(=O)CC3)C2=O)c1OC 67692519 DEQAWDMOCTUXAH-FQEVSTJZSA-N 391.468 0.379 0 50 GCAA CSCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71774509 OUVBFUUHKKJYHD-MRXNPFEDSA-N 382.574 0.826 0 50 GCAA Cc1ncncc1C(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77488339 IIGRRSXUJVDPTC-MSOLQXFVSA-N 386.477 0.909 0 50 GCAA CCCCCCN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)OC1=O 77504725 FBZWUWYOTVMYDH-UHFFFAOYSA-N 380.445 0.932 0 50 GCAA COCC(=O)N1CCC(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)CC1 95362541 DVYCVAFRMUBVGM-OAHLLOKOSA-N 377.441 0.885 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772804453 PKFRFNMYRVLHBV-KRWDZBQOSA-N 392.437 0.161 0 50 GCAA C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1C(=O)c1ncn(C(C)(C)C)n1 1775990450 XKFXQSJRLOAICG-YPMHNXCESA-N 397.501 0.187 0 50 GCAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCS(=O)(=O)N1CCOCC1 1857725953 BQPZOFLFZVNJFS-UHFFFAOYSA-N 378.454 0.777 0 50 GCAA Cc1noc(C2CN(c3ncnc4c3ncn4C[C@@H](CO)[C@H]3CCOC3)C2)n1 1875269334 XLIMEGJXOJKSEU-JSGCOSHPSA-N 385.428 0.767 0 50 GCAA CC(=O)N[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@H]1c1nccn1C 2325782567 ILBJOBMLEZATET-QZTJIDSGSA-N 393.451 0.804 0 50 GCAA O=C([C@H]1CN2CCN1CC2)N1CCCC[C@H]1Cc1ccc(-c2nn[nH]n2)cc1 2325808690 VZJSDFQWBITRBM-ZWKOTPCHSA-N 381.484 0.790 0 50 GCAA CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)Cn1nnnc1CN1CCCCCC1 12594255 AWTPQYMNVHYMEA-HNNXBMFYSA-N 377.493 0.565 0 50 GCAA O=C(c1cn(C[C@H]2CCCNC2)nn1)N1CCN(CCc2ccncc2)CC1 67789678 DSARSQDGAMHFRJ-SFHVURJKSA-N 383.500 0.673 0 50 GCAA O=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccncc3)nc3c2CNC3)CC1 72166276 YSOMOTQFFLETMI-QGZVFWFLSA-N 380.452 0.969 0 50 GCAA CS(=O)(=O)CCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72473672 HNTNVTUBZWSTMG-DOTOQJQBSA-N 393.509 0.898 0 50 GCAA CC(C)N1CCN(CCN2CC3(CCN(C(=O)[C@@H](C)O)CC3)OC2=O)CC1 77353767 AKDBYWRAFFYCRX-MRXNPFEDSA-N 382.505 0.207 0 50 GCAA CCN1CCN(C(=O)CCc2cn3ccccc3n2)[C@H]2CS(=O)(=O)C[C@H]21 77375015 KUKVKYNHMKBKOC-CVEARBPZSA-N 376.482 0.597 0 50 GCAA Nc1nc(CCC(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cs1 77470159 BQWHEKVUWSGJDL-ZIAGYGMSSA-N 375.454 0.445 0 50 GCAA Cc1oncc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 92021521 HLBHUFDBKNHZGZ-UHFFFAOYSA-N 379.442 0.655 0 50 GCAA Cc1cc(=O)n(CC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)nc1C 95357241 SUAGCXUBHCPNBL-QGZVFWFLSA-N 375.517 0.735 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccnc1)CC2 95519716 AFWKDIJUQVHUGU-UHFFFAOYSA-N 383.452 0.896 0 50 GCAA Cc1nn(C)c(-n2cccn2)c1C(=O)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 285597860 REAZTWMZRTWMKT-UKRRQHHQSA-N 386.456 0.481 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 363950326 SPRGQKZVOYDKOF-OAHLLOKOSA-N 380.470 0.029 0 50 GCAA COCCn1cnnc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 670460976 FGEYXMHAMUTZNT-JTQLQIEISA-N 381.414 0.409 0 50 GCAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(-n3cnnn3)cc1O)C2 1073371257 SDXJCIQQWZEPMY-OCCSQVGLSA-N 385.428 0.586 0 50 GCAA CCn1cnnc1CN1CCN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1565507454 BDBUDGJXSCWLJW-DLBZAZTESA-N 375.498 0.781 0 50 GCAA CN(C(=O)NCCOc1cccc2cccnc12)[C@H]1CS(=O)(=O)C[C@@H]1O 1565531261 VWOWPHLYJDQIFI-KBPBESRZSA-N 379.438 0.413 0 50 GCAA O=C(CN1CCCCC1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857670158 XFLXIXLCDWLSMQ-GJZGRUSLSA-N 379.482 0.813 0 50 GCAA O=C(N[C@@H]1CC[C@H](NC(=O)c2cccc(O)n2)C1)c1ccc(-n2cnnn2)cc1 1857676077 JOIMZQXRHRHGEB-KGLIPLIRSA-N 393.407 0.844 0 50 GCAA CN1CCn2nc(C(=O)NCc3noc(-c4ccc5c(c4)OCO5)n3)cc2C1=O 1857676469 IDVZRDXBXZEBOP-UHFFFAOYSA-N 396.363 0.677 0 50 GCAA Cc1nonc1OCCNC(=O)[C@]12COC[C@H]1CN(Cc1nccs1)C2 1857690145 BTGDIAKAKAMXHK-MLGOLLRUSA-N 379.442 0.478 0 50 GCAA CO[C@H]1C[C@@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C12CCC2 1875266247 RLMSIGXZQHVTMP-KGLIPLIRSA-N 399.488 0.406 0 50 GCAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1cnc3cccnn13)C2 1875393005 CRBWPWSCONLOEZ-CWSCBRNRSA-N 388.409 0.254 0 50 GCAA CN(C)S(=O)(=O)NCc1cc(CNC(=O)c2n[nH]c3ccccc23)ccn1 2100540985 SJHJTTKLURJQFU-UHFFFAOYSA-N 388.453 0.784 0 50 GCAA CN1CCN(CCc2cccc(NC(=O)c3cnc4ncnn4c3O)c2)CC1 2325815459 HOJFWEDKHPAOTR-UHFFFAOYSA-N 381.440 0.872 0 50 GCAA COc1cccc([C@H](C)NC(=O)c2cnc3nc(-c4nc(=O)o[nH]4)ccn23)n1 2325822131 FIYQHZGYKSFXHV-VIFPVBQESA-N 381.352 0.967 0 50 GCAA O=C(NCc1cn(CCN2CCNC2=O)nn1)c1cc2c(F)c(F)ccc2[nH]1 2325869252 FEXSLFIAJHITTM-UHFFFAOYSA-N 389.366 0.993 0 50 GCAA O=C(Cc1csc2nc3sc4c(c3c(=O)n12)CCC4)N(CCO)CCO 1802986 CHDFONMPGVJAAL-UHFFFAOYSA-N 393.490 0.815 0 50 GCAA COc1ccc(OC)c(S(=O)(=O)NNC(=S)NC[C@@H]2CCCO2)c1 7066925 HNQICJTTXYPTTJ-NSHDSACASA-N 375.472 0.540 0 50 GCAA COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 8657258 AUWNBPGQWDHAOW-UHFFFAOYSA-N 385.424 0.830 0 50 GCAA O=C(Cn1nnnc1CN1CCCC1)N1CCN(CCOc2ccccc2)CC1 15074014 LYISJYSFYZYMHD-UHFFFAOYSA-N 399.499 0.492 0 50 GCAA CCn1nc(C)c(CNC(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)c1C 20919981 VUTYLQGGOKAJFM-KRWDZBQOSA-N 391.516 0.707 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(-n3ccnc3)cc1)CCN2CCO 95387721 SGCRRTYRLQNITA-MSOLQXFVSA-N 376.482 0.148 0 50 GCAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)Cc1cc(=O)[nH]nc1O)CC2 95527363 NJMRUGGUFINILV-UHFFFAOYSA-N 386.456 0.527 0 50 GCAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)Cn2cncn2)CC1 96133811 ZMAJMETUWHFWBP-UHFFFAOYSA-N 383.460 0.849 0 50 GCAA Cc1nc[nH]c1C(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 96138045 SSWYMTSMYSUJGJ-UHFFFAOYSA-N 386.504 0.614 0 50 GCAA Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CCN)cc1NS(C)(=O)=O 262836661 WLPGJRSWRVLPMF-OAHLLOKOSA-N 396.513 0.826 0 50 GCAA C[C@H](C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)N1CCCC1=O 827968260 IRACGGRTOXSRCX-CQSZACIVSA-N 375.425 0.874 0 50 GCAA Cc1nc[nH]c1CC(=O)N1C[C@H]2CN(C(=O)Cc3ccsc3)C[C@@]2(CO)C1 1772700893 JNBTVHQVAFYBQC-BEFAXECRSA-N 388.493 0.844 0 50 GCAA COc1ccccc1OCC(=O)N[C@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857731331 PRKIEGNMSPXNKZ-JYJNAYRXSA-N 391.468 0.510 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cccn(C)c3=O)C[C@H]2CO1 1857731984 WSNMQHPINDTBJJ-PMPSAXMXSA-N 385.468 0.741 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)N2CCc4[nH]nc(C5CC5)c4CC2)[C@@H]3C1=O 1857741128 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JSBVBCUZALAVRK-UHFFFAOYSA-N 381.400 0.543 0 50 GCAA O=C(NCc1nnc2n1CCC2)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772808394 OWWDRAMQGWSUBC-LBPRGKRZSA-N 388.497 0.939 0 50 GCAA COc1ccnc(N2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)n1 1857726112 XCJDDEYCQPRCQA-ZOMKSWQUSA-N 380.470 0.551 0 50 GCAA O=C1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C(=O)N1 1857798114 PNQBCEOWYBBOMQ-BBRMVZONSA-N 384.436 0.561 0 50 GCAA O=C(NCc1cnc2c(c1)CN(C(=O)CCn1cnnn1)CC2)C1CCOCC1 1875245684 LQKNKAISDHUQGV-UHFFFAOYSA-N 399.455 0.086 0 50 GCAA CCN(CC)S(=O)(=O)N1CCN(C(=O)Cc2cnc3c(C)cccn23)CC1 1875271921 DWUMYLQAIIXLJI-UHFFFAOYSA-N 393.513 0.916 0 50 GCAA O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)N[C@@]1(c2ncc[nH]2)CCOC1 1875391890 BDAFZFKODHPIFP-PXAZEXFGSA-N 377.422 0.767 0 50 GCAA COC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 14952601 JKPHUWVZLPXEKZ-KRWDZBQOSA-N 391.443 0.928 0 50 GCAA CCN1CCN(C(=O)[C@H]2C[C@@H](c3cccc(OC)c3)NS(=O)(=O)N2C)CC1 71375899 JPSUCJLHIPHTPX-DLBZAZTESA-N 396.513 0.439 0 50 GCAA O=C(C[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1)NCCn1cccn1 72426051 PNTFLRJIOSCFIQ-QGZVFWFLSA-N 392.481 0.620 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3CC34CCNCC4)cc2C1 82148107 QKUCUPSLTMJTSL-OAHLLOKOSA-N 381.502 0.054 0 50 GCAA CCc1ccc(CN2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)nc1 91504833 WZFBLHAFALOLSL-SJLPKXTDSA-N 382.530 0.709 0 50 GCAA CN1CCC(Cc2nc(-c3cnccn3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 95507771 SBPVTGMGDOHJFR-CQSZACIVSA-N 376.486 0.979 0 50 GCAA CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1csc(S(N)(=O)=O)c1 170628284 LMILLGCLUOWQFH-CQSZACIVSA-N 388.559 0.884 0 50 GCAA CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2csc(C(=O)O)c2)CC1 298851419 LHOSFQYWVLMOFC-LLVKDONJSA-N 389.499 0.667 0 50 GCAA CN(C)CCN(CC(=O)O)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 299746851 BJLNAOYAYOKSPZ-GOSISDBHSA-N 394.403 0.068 0 50 GCAA Cn1nc(-c2cccc(C(=O)NCCn3ccnc3)c2)nc1N1CCOCC1 299765111 VZRCZGSAZUGBEK-UHFFFAOYSA-N 381.440 0.945 0 50 GCAA O=C1CN(c2ccc(C(=O)NC3CCN(c4cnccn4)CC3)cc2)C(=O)N1 299795844 LFFBTCRVEUHTGZ-UHFFFAOYSA-N 380.408 0.932 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1=O 368742896 QZIRNOMUMHTOAD-UHFFFAOYSA-N 390.415 0.831 0 50 GCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCC(N3CCOCC3)CC2)n1 426478049 RMBVHACXXUDNCK-HNNXBMFYSA-N 377.489 0.686 0 50 GCAA CSCC(=O)N1C[C@H]2CN(C(=O)CCCn3cncn3)C[C@@]2(CN(C)C)C1 1772706846 PQZGDHXIIAXSFF-QAPCUYQASA-N 394.545 0.270 0 50 GCAA CN=c1ncc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c[nH]1 1857723373 DAMNDUXMTXQBSO-ROUUACIJSA-N 399.499 0.742 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1O)c1ccc(-n2ccnc2)cc1 1875251100 MJTKZYBIOURNTC-NUEKZKHPSA-N 395.423 0.176 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2cnn(C)c2)N1Cc1ccccc1 1875396942 YCXCCTPUIRFBPL-QAPCUYQASA-N 394.497 0.350 0 50 GCAA CC(C)Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 789915 NGRMJCKBVFLPGF-UHFFFAOYSA-N 377.430 0.122 0 50 GCAA CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1391688 HSHAUODYVDVKSF-AWEZNQCLSA-N 383.426 0.087 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)nn(CCN(C)C)c1=O 67920412 LXTGUTUVTONNQM-AWEZNQCLSA-N 375.477 0.678 0 50 GCAA Cc1c(CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(=O)n(-c2ccccc2)n1C 72435027 VVJIORAPFJWFIB-MSOLQXFVSA-N 390.509 0.397 0 50 GCAA CN(CCc1ncnn1-c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 91644169 LHWAZZYXJLWGIV-AWEZNQCLSA-N 378.454 0.700 0 50 GCAA O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 95527703 UYFCZNYSFKMQPD-OAHLLOKOSA-N 399.455 0.172 0 50 GCAA COCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C)C(=O)OC 253429122 CAQNNLQILOMSOV-HUUCEWRRSA-N 379.392 0.599 0 50 GCAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 269032869 NGUGDATUORSGCO-LSDHHAIUSA-N 377.376 0.607 0 50 GCAA Cc1c([C@H]2[C@@H](C(=O)N(C)Cc3cnc(N(C)C)nc3)CC(=O)N2C)cnn1C 329968248 WAAUJKNJQWSYRA-WMLDXEAASA-N 385.472 0.763 0 50 GCAA Cn1c(O)ncc(C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1=O 370697743 MCVWBBDJNYCCRP-HIFRSBDPSA-N 396.403 0.276 0 50 GCAA O=C(O)C(CCCN1CCCN(S(=O)(=O)N2CCCCC2)CC1)C(=O)O 1529112325 KYPRSYJNAGCFJI-UHFFFAOYSA-N 391.490 0.290 0 50 GCAA Cc1cn(CCNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)nn1 1772815065 ICTCQFMRTLQXJV-ZDUSSCGKSA-N 376.486 0.801 0 50 GCAA CN1CCC2(CC1)CN(S(=O)(=O)c1n[nH]c3ncccc13)[C@@H]1COC[C@@H]12 1775960926 BCVZPPOQXNWPST-UONOGXRCSA-N 377.470 0.689 0 50 GCAA CCOc1ccc(CCNC(=O)[C@@H]2CCS(=O)(=O)C23CN(C(C)=O)C3)cc1 1857528875 MIBYRQFNRXXXMB-KRWDZBQOSA-N 394.493 0.780 0 50 GCAA COc1ccc([C@@H]2[C@H](C(=O)N(C)C)C[C@@H]3CN(S(C)(=O)=O)CC(=O)N23)cc1 1857681155 AEJXFODXVMMUBN-FRFSOERESA-N 395.481 0.317 0 50 GCAA O=C(N[C@H]1CCSC1)c1cn2c(n1)CCN(C(=O)C1CCOCC1)CC2 1875242076 MMFDPMIWTQVJAJ-AWEZNQCLSA-N 378.498 0.930 0 50 GCAA Cn1nccc1CCC(=O)N[C@@H]1C[C@H](C(=O)NCCc2cccnc2)C[C@H]1O 1875247974 XCSNDJCXRZELHE-CGTJXYLNSA-N 385.468 0.362 0 50 GCAA COCCN(Cc1ccco1)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(C)=O)C2 1875393949 VQEIKEIRGDQLFN-HNNXBMFYSA-N 384.454 0.290 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccnc(CO)c2)N1Cc1ccccc1 1875396463 IHHMHLISYUZSCT-IERDGZPVSA-N 385.464 0.956 0 50 GCAA CC(F)(F)CNC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325897902 MEJLUCBUBPXLGY-LLVKDONJSA-N 379.319 0.473 0 50 GCAA C[C@@H](Cc1cnccn1)NC(=O)Nc1nnc(CCN2CCOCC2)s1 19111516 DXQJGZDBCHKVIP-LBPRGKRZSA-N 377.474 0.956 0 50 GCAA CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)CC1 63833027 QDVLFKJKASOJLO-OAHLLOKOSA-N 378.429 0.271 0 50 GCAA CN1CCN([C@H]2CCN(Cc3cnc(N(C)C)nc3)C[C@H]2CCC(=O)O)CC1 95355191 SBVLVPWOHPRHQZ-MSOLQXFVSA-N 390.532 0.845 0 50 GCAA CCN(C(=O)c1cn(C(C)C)cc(C(=O)OC)c1=O)[C@H]1CCS(=O)(=O)C1 95361847 IZEOSHCWSQPETR-LBPRGKRZSA-N 384.454 0.865 0 50 GCAA O=C(NC[C@@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ccoc2)c1 95364637 ZTOZFWMURPJBDE-OAHLLOKOSA-N 380.422 0.903 0 50 GCAA O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)NCCCc2ncc[nH]2)c1 95373973 KCKKBDZMIQNAMV-AWEZNQCLSA-N 378.454 0.840 0 50 GCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 95527463 QOPJBKZPTMNSJW-UONOGXRCSA-N 377.445 0.512 0 50 GCAA O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccco2)C[C@@H](O)COc2ccccc2)C1 221985588 JEGIETFLTDYQSB-JLSDUUJJSA-N 381.450 0.679 0 50 GCAA CN(C)c1nnc(-c2ccc(NC(=O)NCCNS(=O)(=O)N(C)C)cc2)o1 253425025 OAXYXSMWRNFUJJ-UHFFFAOYSA-N 397.461 0.320 0 50 GCAA NCCCOc1cc(Cl)ccc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 299783005 NQZDLRUEQQXDGE-NSHDSACASA-N 375.878 0.818 0 50 GCAA Cn1cc(CN(C(=O)c2cc(Cl)ccc2F)[C@H]2CCNC2)c(=O)n(C)c1=O 328655386 YHEPVIIOLXIOGP-ZDUSSCGKSA-N 394.834 0.881 0 50 GCAA O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCN2C(=O)N=C(O)[C@@H]2C1 329414829 FESYFJAORJAECC-ZANVPECISA-N 378.335 0.921 0 50 GCAA COc1cc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)ccc1OCC(N)=O 1616074301 AUXWNQMDYYRUAF-HOCLYGCPSA-N 375.425 0.891 0 50 GCAA COCCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC[C@@H]21 1775976662 CFVSEFIUZRATQN-HOTGVXAUSA-N 384.440 0.587 0 50 GCAA CC(C)OCC(=O)NC[C@]1(C)CN(c2nc(O)c3cnn(C)c3n2)CCO1 1775991674 LTBXRYUMUNHQGH-QGZVFWFLSA-N 378.433 0.205 0 50 GCAA O=C(Cn1ccc(O)nc1=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857667451 FWLBKCUMJRWYRU-FQEVSTJZSA-N 397.435 0.829 0 50 GCAA NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CC(=O)N(c3cccc(O)c3)C1)CC2 1875250525 JHIYSGHGXVEFNQ-LBPRGKRZSA-N 383.408 0.125 0 50 GCAA CN1CC2(CCN(C(=O)c3cnn4cc(Br)cnc34)C[C@@H]2CO)C1 2325791300 LZAMOTOLINQPLP-LLVKDONJSA-N 394.273 0.878 0 50 GCAA O=C(C1CC1)N1CCc2ccc(S(=O)(=O)Nc3cnc(O)nc3O)cc21 2325851393 YPTYVLZBVWQYFO-UHFFFAOYSA-N 376.394 0.988 0 50 GCAA C[C@H](C(=O)N1CCN(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380396 VRGOVPOYQSBATG-CYBMUJFWSA-N 383.470 0.386 0 50 GCAA CCO[C@]1(C)O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O1 39946254 ULBLUAFHNLHIND-LGFJLYTPSA-N 376.358 0.263 0 50 GCAA Cc1ccc(C(=O)N[C@H]2CN[C@H](C(=O)N(C)C3CCS(=O)(=O)CC3)C2)cc1 65465144 VAXREWROHJCZSV-WBVHZDCISA-N 393.509 0.491 0 50 GCAA NC(=O)CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O 77379439 ZDKUOUVVLNMUHN-UHFFFAOYSA-N 385.811 0.956 0 50 GCAA CS(=O)(=O)N1CC[C@]2(O)CCN(CCn3cnc4ccccc43)C[C@@H]2C1 95391901 IVNCVVRJXXJGBO-CRAIPNDOSA-N 378.498 0.755 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(C)cn1)CC2 95518616 VIZSEKGJWIVTNM-UHFFFAOYSA-N 384.440 0.671 0 50 GCAA Cn1cc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)cn1 97655438 YYDMKSWTNFEHKE-ZDUSSCGKSA-N 378.454 0.665 0 50 GCAA Cn1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[nH]c1=O 223734052 PSOXBEDSSOTXON-MKTAYPAQSA-N 380.404 0.864 0 50 GCAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)N=C(O)[C@@H]3C2)cc1C 329470293 YSRHAMQIHFQVIN-AWEZNQCLSA-N 394.453 0.527 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C[C@H]1O 1529158476 DZGMCLLKWKHMJX-APPDUMDISA-N 399.900 0.866 0 50 GCAA O=C([C@H]1CCCO1)N1CCCN(c2cc(N3CCC(O)CC3)ncn2)CC1 1775981130 AFLIFMZXZYXBSG-MRXNPFEDSA-N 375.473 0.655 0 50 GCAA C[C@@H]1C[C@H]1NC(=O)C[C@H]1CN(C(=O)CCn2cccnc2=O)C2(CCC2)CO1 2325785159 GFIYTCZDWLLSJY-OWCLPIDISA-N 388.468 0.698 0 50 GCAA Nc1ncc(Br)cc1C(=O)NC[C@H]1CC2(CCNCC2)C(=O)O1 2325854206 RYBHVBZRUNBHKD-SNVBAGLBSA-N 383.246 0.841 0 50 GCAA Cc1cc([C@H](O)[C@@H](C)NC(=O)[C@@](C)(O)CN2C(=O)NC(C)(C)C2=O)ccc1F 2325861271 KUBGAGYYFPXPKO-LCCAYYTGSA-N 395.431 0.754 0 50 GCAA C[C@@H]1CCCN1C(=O)COc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325893117 UTGPZWSLKCBZHD-DOMZBBRYSA-N 385.420 0.837 0 50 GCAA Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1)NC(=O)CO2 8782715 VREIDWRKSXEOAE-UHFFFAOYSA-N 382.442 0.314 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn(CCN(C)C)c1=O 67908211 VQKVHTPOMZXXHW-CQSZACIVSA-N 388.472 0.334 0 50 GCAA O=C(c1cc[nH]n1)N1CCC[C@@](O)(CNS(=O)(=O)c2ccccc2)CC1 72143684 KRFIAAUGLICMBR-KRWDZBQOSA-N 378.454 0.745 0 50 GCAA CS(=O)(=O)N1CCCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CC1 72473563 LKUMZMDAEAQMLT-UHFFFAOYSA-N 377.426 0.709 0 50 GCAA CN(CCC(=O)N1CCN(c2ccccc2)C(=O)C1)[C@@H]1CCS(=O)(=O)C1 82158012 LBYJWBTWNFEPMB-MRXNPFEDSA-N 379.482 0.371 0 50 GCAA CC1(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3COCCO3)c2)COC1 95383147 WZLUBZCVPXILGI-CQSZACIVSA-N 384.454 0.147 0 50 GCAA CN1CCN(c2nnnn2-c2ccccc2)C[C@]12CCC(=O)N(CCO)CC2 107409311 VKXGMWKIMVYHPT-LJQANCHMSA-N 385.472 0.158 0 50 GCAA CN(C)C(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1 216400093 SUGWSMXOUSEUTK-CQSZACIVSA-N 383.470 0.040 0 50 GCAA COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)cc1F 219535188 SGYKWPWSWGHPRA-GDBMZVCRSA-N 376.450 0.848 0 50 GCAA O=C(O)[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H]2CC[C@H]1O2 245227519 IPHAWXRXLSKQAZ-AHCXZYCDSA-N 388.420 0.938 0 50 GCAA C[C@H](NC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)c1nncn1C 252477481 ORQZOCUADYWOFK-QWHCGFSZSA-N 381.481 0.726 0 50 GCAA Cc1cc(C)c(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C)c1 276518822 SMLHNWHOQYQMGD-QZTJIDSGSA-N 380.510 0.456 0 50 GCAA CN1C(=O)c2ccc(C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)cc2C1=O 299242589 JMAXRYMMHRHLGI-UHFFFAOYSA-N 398.463 0.683 0 50 GCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)ccc21 328621248 HPRZNAJGQDCRBR-LBPRGKRZSA-N 375.454 0.614 0 50 GCAA O=C(CN1CCCC1)N1CCN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 363474957 RZRUWMXNLULQQG-UHFFFAOYSA-N 397.483 0.717 0 50 GCAA C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1N1CCOCC1 363609652 XTXHDLBLAODLSR-RHSMWYFYSA-N 381.498 0.952 0 50 GCAA Cn1c(O)ncc(C(=O)N(Cc2nccs2)[C@H]2CC23CCNCC3)c1=O 435555555 GTDZTUDJYBAXFN-LBPRGKRZSA-N 375.454 0.727 0 50 GCAA CCS(=O)(=O)N1CCC(CNC(=O)c2cnc3ccccn3c2=O)CC1 542586069 VGMWDASDIULXDW-UHFFFAOYSA-N 378.454 0.486 0 50 GCAA COCCNC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1C 952972946 AWTDOYWKCYXVQS-CQSZACIVSA-N 376.413 0.592 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]2O)n[nH]1 1704347957 IVOVECMOJYIXCH-PBHICJAKSA-N 377.466 0.726 0 50 GCAA O=C(NN1C[C@H](C(=O)O)CC1=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 1848442362 IKTUSWVSXXWTDF-YUELXQCFSA-N 399.403 0.944 0 50 GCAA CC(C)N1CCN(C[C@H](O)C2CCN(C(=O)c3csc(=N)[nH]3)CC2)CC1 1857739573 WAVNZAXRQRKARC-INIZCTEOSA-N 381.546 0.795 0 50 GCAA Cc1noc(C)c1C(=O)N[C@@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@H]1O 1875242914 IBABKHNEZRYFGN-RRFJBIMHSA-N 375.429 0.564 0 50 GCAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(OC(C)(C)C)cn2)NC(=O)NC1=O 1875273540 IBWRIWNZYHFLKL-GOSISDBHSA-N 386.412 0.457 0 50 GCAA O=C(Nc1cncc(-c2cc[nH]n2)c1)[C@@H]1CNCC12CCS(=O)(=O)CC2 1875326238 NMWWVIYUXZTDAQ-AWEZNQCLSA-N 375.454 0.825 0 50 GCAA C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 4887267 GNFTWPCIRXSCQF-ZPLVVKKSSA-N 378.465 0.752 0 50 GCAA O=C(CCn1cncn1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 5001279 OTFGIQRWCDSLFT-UHFFFAOYSA-N 383.861 0.855 0 50 GCAA Cc1c(O)cccc1C(=O)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77358288 QFJJGSACEFIBSV-LSDHHAIUSA-N 388.449 0.619 0 50 GCAA Cc1cc(CC(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 77407228 PTZFAAQIPBNCFH-LSDHHAIUSA-N 381.454 0.162 0 50 GCAA Cc1c[nH]c(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)c(C)c1=O 96138449 PVTGFTPGNRZRMD-YWZLYKJASA-N 375.469 0.989 0 50 GCAA CN(CCc1ncnn1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 97729474 ZTVXUQXVMNTDFL-CQSZACIVSA-N 378.454 0.717 0 50 GCAA CC(=O)N1CCN(C(=O)CCNC(=O)c2cnn(-c3ccccc3)c2C)CC1 264479964 HRMQWYUHUYWSAG-UHFFFAOYSA-N 383.452 0.991 0 50 GCAA O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299766726 KSNMMAUHXXJAIF-JKSUJKDBSA-N 376.438 0.814 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(Cc3noc(C4CCCC4)n3)C[C@]2(C(=O)O)C1 1565527895 OYEIAKHPZPOFQC-LRDDRELGSA-N 384.458 0.505 0 50 GCAA COc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1704298190 GOJWDWVFAFTNDT-WCQYABFASA-N 376.862 0.985 0 50 GCAA CCCN1C[C@@H]2CN(C(=O)CCn3cnc4ccccc4c3=O)C[C@]2(CO)C1 1772805679 PHYIDJSAODXWEL-IERDGZPVSA-N 384.480 0.949 0 50 GCAA CN1CCC[C@@H](c2nc(-c3cn4c(n3)CCNCC4)n(-c3ccnn3C)n2)C1 1857720966 SJJHYJMGPLFMLN-CQSZACIVSA-N 381.488 0.819 0 50 GCAA CN=c1[nH]c(N2C[C@@H]3[C@H](CNC(=O)CSC)[C@H]4CC[C@]3(C2)O4)ncc1F 1857730950 DTHZZCAZFGQBAS-RWYOIZDWSA-N 381.477 0.542 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cnnn3Cc3ccccc3)C2)cc[nH]1 1875397433 ABEKRMDHMACNNH-MSOLQXFVSA-N 394.483 0.573 0 50 GCAA Cc1nonc1OCCNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)CCC(F)(F)F)C1 1940197204 YRLXDFRWAYXRNP-DCAQKATOSA-N 394.350 0.471 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)NC3CCN(C)CC3)C[C@H]2O)cc(O)n1 2100483417 SAJYRVOJWIODPH-IAOVAPTHSA-N 390.484 0.565 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@H]1O)c1ccc2ncnn2c1 2100543313 PECZIVZFYRPHCA-ARFHVFGLSA-N 397.439 0.002 0 50 GCAA N=c1nc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)o[nH]1 2325741999 WBKOZJKCUTWWGF-NSHDSACASA-N 392.803 0.699 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CC(=O)OC 11949206 ZNICTOFUBMQEGS-OAHLLOKOSA-N 377.441 0.407 0 50 GCAA Cc1ccc(F)c(C(=O)N2CCNC[C@@H]2C(=O)N2CCN(C)CC2)c1Cl 72128042 KCBIOJOJCLCTBV-CQSZACIVSA-N 382.867 0.976 0 50 GCAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)Cn2cnnn2)CC1 96142161 PIZSKCNPWJQSIE-UHFFFAOYSA-N 387.492 0.584 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2cc(F)cc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 216838989 ZOBFIEJYZGSDJU-CABCVRRESA-N 394.428 0.302 0 50 GCAA Cc1ncc([N+](=O)[O-])n1Cc1nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c(=S)n1C 254514669 QNDOGKOHBGGRNX-PLMOITTCSA-N 380.386 0.668 0 50 GCAA CSCCC(=O)N1CCC(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)CC1 824892191 GRMLXMDMFCXXPB-OAHLLOKOSA-N 384.546 0.292 0 50 GCAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(c3cc(N)ncn3)CC2)[C@H]1O 1772712600 UQWHYAJIFZUJAS-DLBZAZTESA-N 379.461 0.090 0 50 GCAA O=C(Cn1cccnc1=O)N1CCCN(S(=O)(=O)c2cccs2)CC1 1772809960 AZOHTMYLYXYKPO-UHFFFAOYSA-N 382.467 0.228 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1O 1857713517 ZIBXXLFANPQAMK-IRXDYDNUSA-N 392.481 0.256 0 50 GCAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cn1nccn1 1875261702 MYHBJMSLJATQTF-JTQLQIEISA-N 388.833 0.850 0 50 GCAA CC(CO)(CO)Cn1cnc2c(N3CCC[C@@H](CCC(N)=O)C3)ncnc21 1875269132 HTGPXMRMCAUMCV-ZDUSSCGKSA-N 376.461 0.299 0 50 GCAA O=C1C[C@H](C(=O)N2CCN(c3ncns3)CC2)CCN1CC(F)(F)F 2325773564 XQLIKGIWAOGNAJ-SNVBAGLBSA-N 377.392 0.988 0 50 GCAA CC(C)N(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1N=c1nc(C(F)(F)F)[nH]s1 2332238067 XQGFXKQMPWLBRL-HTQZYQBOSA-N 386.421 0.671 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCN2C1=O 14749930 KQXGTJIGFZEJHA-RBUKOAKNSA-N 396.495 0.513 0 50 GCAA O=C(O)c1cnc2c(c1)n(C[C@@H]1COCCO1)c(=O)n2CCc1ccccn1 55371334 SEIATTYSEFYJBK-OAHLLOKOSA-N 384.392 0.949 0 50 GCAA CCOC(=O)[C@H](C)NC(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1 65396400 PEACJRALYAWLPT-ZDUSSCGKSA-N 377.445 0.986 0 50 GCAA CCc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc(N2CCOCC2)n1 65419844 BLGZBPWDZSEUPI-INIZCTEOSA-N 375.473 0.703 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@H]2CCC(=O)O)CC1 91550669 XHRLIKLYJRUVKO-CVEARBPZSA-N 390.484 0.537 0 50 GCAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)Cn4cnnn4)C3)CCC2=O)cn1 92028675 QKQNDXARURGOPR-GOSISDBHSA-N 384.444 0.203 0 50 GCAA Cn1ncc2c(O)nc(CN3CC[C@H](N4CCOCC4)[C@H](CCCO)C3)nc21 95386325 MIEOMIXDBPNLTN-ZBFHGGJFSA-N 390.488 0.364 0 50 GCAA CN1CC[C@H](NC(=O)CCCn2nnnc2CN2CCc3ccccc3C2)C1 95528983 KJVWYAQYKYTDPC-SFHVURJKSA-N 383.500 0.832 0 50 GCAA Cn1nc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ccc1=O 95529464 ZQLJJQYNXVFAJE-UHFFFAOYSA-N 396.451 0.430 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@]2(C(=O)O)C1 96133705 QGXOSJQZIVBRQK-GUYCJALGSA-N 382.438 0.504 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2sc(C)nc2C)CN1Cc1ncc[nH]1 96159844 XTCLRWXKWJGYET-STQMWFEESA-N 376.486 0.992 0 50 GCAA O=C(CCc1nnc[nH]1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 177098770 LNTIGQKMYISSMS-UHFFFAOYSA-N 385.396 0.549 0 50 GCAA COC(=O)[C@@]1(C)N[C@@H](c2cnc(-c3ccccn3)nc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 209868640 IEOGFJOBFWWNHE-MNUAXYBXSA-N 381.392 0.346 0 50 GCAA CC[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cn2cccnc2n1 221379989 PSDUFCUMGUUYBT-HNNXBMFYSA-N 380.456 0.909 0 50 GCAA O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@H](C(=O)O)[C@H]1CCCOC1 262726233 GOLKEGCORQYPDQ-NHYWBVRUSA-N 388.417 0.490 0 50 GCAA O=C1COc2cc(C(=O)N3CCO[C@H](C(=O)O)C3)c(Br)cc2N1 262803262 RVQOVMQVIBQVTG-NSHDSACASA-N 385.170 0.706 0 50 GCAA COc1c2c(c(S(=O)(=O)NC(C)(C)CO)c3c1C(=O)N(C)CC3)OCO2 263584781 APWYMEURBGMWIM-UHFFFAOYSA-N 386.426 0.101 0 50 GCAA biogenic Cc1cc(C(=O)O)ccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 285347077 HAXJUAJUARRRNM-ZDUSSCGKSA-N 390.483 0.738 0 50 GCAA COC(=O)COCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 287265747 AAYOQVHLQYPCIC-GFCCVEGCSA-N 390.314 0.996 0 50 GCAA O=C(O)[C@H]1COCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 299749459 KJUGHERLFGVJCP-LLVKDONJSA-N 399.197 0.487 0 50 GCAA O=S1(=O)CCC(O)(CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)CC1 333738815 MBACPOWUTAEGFF-BETUJISGSA-N 375.393 0.729 0 50 GCAA COCCn1cc(C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCCO4)C2=O)nn1 886056929 UCTFDWXCXFRWIZ-CQSZACIVSA-N 387.396 0.359 0 50 GCAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1NC(=O)CN(C)C 952968355 JDXLTFPQSWOCFR-HNNXBMFYSA-N 389.500 0.844 0 50 GCAA Cc1nn2c(NC(=O)CN3CCN(c4ncccn4)CC3)csc2nc1=O 1506428316 OKGKIOJHDHHNIP-UHFFFAOYSA-N 386.441 0.010 0 50 GCAA COCC(=O)N1C[C@H]2CN(C(=O)c3cccc(NC(C)=O)c3)C[C@]2(CO)C1 1772709302 NQMAHZAFILMQNA-KXBFYZLASA-N 375.425 0.184 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cn3cccn3)CC(=O)N2[C@H]1c1ccccc1 1857714498 WAIFRAMELWUCEM-BXWFABGCSA-N 382.420 0.857 0 50 GCAA C[C@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1ccc(S(=O)(=O)N(C)C)cc1 1875399068 NRLWXKUYJWXBKC-VKJFTORMSA-N 385.530 0.669 0 50 GCAA Cc1ccccc1OC[C@H](O)Cn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C 637994 MPONFDPSSNCFEQ-CYBMUJFWSA-N 387.440 0.248 0 50 GCAA NC1=NC(=O)[C@@](I)(Cc2ccc(C(=O)O)cc2)C(=O)N1 6863302 XXRCWODFXLJTQM-UHFFFAOYSA-N 387.133 0.072 0 50 GCAA Cc1noc(CN(C)C(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)n1 97819682 XPASOHDUIALNDD-CYBMUJFWSA-N 380.426 0.717 0 50 GCAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3nnc[nH]3)CC2)c1 176765645 IVFUYWVJPLQKDN-UHFFFAOYSA-N 377.470 0.887 0 50 GCAA C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCS(=O)(=O)C1 191856183 NMMQDHGMOPEIHS-SNVBAGLBSA-N 377.260 0.504 0 50 GCAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)no1 216536687 KUYNOJBPQHEUSJ-UHFFFAOYSA-N 377.382 0.775 0 50 GCAA Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)c1 329232027 LAPBFBXRRGVKFW-DLBZAZTESA-N 388.468 0.445 0 50 GCAA O=C(CCCn1cnnn1)N1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 426413015 SVGFMAHKYXZWGF-RDTXWAMCSA-N 376.461 0.631 0 50 GCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)CCCc2nc(-c3cccnc3)no2)C1 426477375 LFWNGFYMFGJNSA-GFCCVEGCSA-N 379.442 0.591 0 50 GCAA Cc1n[nH]cc1CN(C)C(=O)c1cccc(-c2cc(=NCCO)nc(N)[nH]2)c1 534676219 RPLHCQSTFBXJOH-UHFFFAOYSA-N 381.440 0.856 0 50 GCAA O=S1(=O)CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)CCN1 1875313358 LHABTDLYUIBFEI-UHFFFAOYSA-N 375.859 0.812 0 50 GCAA O=C(NCCc1cc[nH]n1)[C@H]1CC[C@H]2OCCN(C(=O)c3cnccn3)[C@@H]2C1 2100539289 BCOIWSFMQGYMKG-IAOVAPTHSA-N 384.440 0.568 0 50 GCAA Cn1ncc2cc(CNC(=O)C(=O)N3CC[C@@](N)(c4ccccc4)C3)cnc21 2325857452 BMGZOJIWZZKCHV-FQEVSTJZSA-N 378.436 0.671 0 50 GCAA N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 2332237530 ZPRLZNSZUBYQIV-KZNAEPCWSA-N 391.537 0.777 0 50 GCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCO[C@H](c2nnnn2C)C1 2356146779 VGYFUSPUKRJHCL-AWEZNQCLSA-N 389.441 0.466 0 50 GCAA NCC1CCN(c2cnn(CC(=O)NCc3nc4ccccc4[nH]3)c(=O)c2)CC1 20863128 AJNJFLLZHBHJMC-UHFFFAOYSA-N 395.467 0.611 0 50 GCAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(F)cc1OC)N[C@@]2(CO)C(=O)OC 65458473 BTKAJTXFKCKJOQ-UHQDVWGKSA-N 380.372 0.004 0 50 GCAA Cn1cc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cn1 67909158 GUSDSDZOEQVITM-GOSISDBHSA-N 375.517 0.955 0 50 GCAA CCOc1ccc(C(C)=O)cc1NC(=O)N1CCNC(=O)[C@H]1CC(=O)NC 95503984 HRHSBJIDHNVUHR-CQSZACIVSA-N 376.413 0.756 0 50 GCAA C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)N(C)C[C@H]2C1 225619711 QSGSYSICPOPVPN-JSGCOSHPSA-N 383.445 0.814 0 50 GCAA NS(=O)(=O)c1cc(F)cc(C(=O)N2CC[C@H](C(=O)O)C2)c1Br 299740813 BWUQQLLZLPQJNU-LURJTMIESA-N 395.206 0.782 0 50 GCAA Cn1nnnc1-c1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 363263363 UQQALQANWYYUNM-XOUADPBQSA-N 396.407 0.368 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)N(C)C)nn3)CC2)cc1 413025918 SFUNHISTQZLSCK-UHFFFAOYSA-N 389.481 0.998 0 50 GCAA CN1C(=O)COc2cc(NC(=O)N3CCN(CCOCCO)CC3)ccc21 534675356 FSERBMYRASLVRJ-UHFFFAOYSA-N 378.429 0.200 0 50 GCAA CO[C@@H](CS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1OCCO)C1CC1 888096669 HKTGGDBXOQXIKT-HNNXBMFYSA-N 393.483 0.628 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@@H]1O 1529099634 CZTMLQUDMSHESO-KSSFIOAISA-N 385.505 0.979 0 50 GCAA Nc1ncc2c(n1)[C@@]1(CCCN(c3cncc(C(=O)N4CCOCC4)n3)C1)CC2 1704313529 QKQKDEQPBORDDB-FQEVSTJZSA-N 395.467 0.806 0 50 GCAA Cc1ccccc1S(=O)(=O)NCC[C@H]1COCCN1CC(=O)N1CCCC1 1857727254 OBCMZTWCYSVEJZ-KRWDZBQOSA-N 395.525 0.987 0 50 GCAA N=S1(=O)CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)c3ccccc31)CCO2 1875395853 NRBAPNQRFPKRNF-IJGYHNBSSA-N 377.466 0.952 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 2356156030 SGMDWGCSSSDHMZ-KCPZKOSPSA-N 390.459 0.574 0 50 GCAA O=C(NC1CCN(CCO)CC1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356159972 XSEFREQIAHCJDL-CDMIOBSGSA-N 398.507 0.891 0 50 GCAA COc1ccc2nc(NC(=O)CSc3nnc4n(N)cnn34)sc2c1 2186367 UDOLFJXAKYPDLH-UHFFFAOYSA-N 376.427 0.989 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCC(=O)OC 11879610 BWILADGAKZPXIR-MRXNPFEDSA-N 391.468 0.845 0 50 GCAA COC(=O)[C@]1(C)N[C@H](c2cc3c(cc2OC)OCO3)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65488107 WZKGPRJBKOBCSD-UHQDVWGKSA-N 376.365 0.231 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CC[C@@H](CC(=O)O)C2)nc1N1CCOCC1 96161969 MZSAXBHISPRTQG-LBPRGKRZSA-N 378.429 0.976 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 116442640 WMBSNLXUYDICRC-KRWDZBQOSA-N 376.476 0.928 0 50 GCAA CCC[C@H](NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(=O)N1CCc2sccc2C1 170607995 NKEIEVPOOJMEKN-MJBXVCDLSA-N 379.482 0.951 0 50 GCAA C[C@H]1CCNC(=O)[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 194226850 VWKKNDTXPVJQJH-XPTSAGLGSA-N 393.241 0.800 0 50 GCAA CC(=O)N1CCN(Cc2nnc(-c3cccc(F)c3)o2)[C@@H]2CS(=O)(=O)C[C@@H]21 247924822 IDWWXWWSJKEWSL-CABCVRRESA-N 394.428 0.705 0 50 GCAA COCCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 298796666 KMOKQVNHRUYHNY-ZDUSSCGKSA-N 399.394 0.771 0 50 GCAA COc1cccc(N2CCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2=O)c1 299764579 JEYOKVWDRCCMOP-CQSZACIVSA-N 377.466 0.881 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC1CCN(Cc2ccccc2)CC1 1074563364 ZHLBKHFRRBHHTG-RDGPPVDQSA-N 379.526 0.946 0 50 GCAA CC1(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCN(CC3CC3)CC2)COC1 1775960662 ZGICECPGUFQJFZ-DLBZAZTESA-N 376.501 0.892 0 50 GCAA O=C(N[C@H]1CCOC1)c1cc2c(s1)CCOC21CCN(C(=O)CO)CC1 1857685850 WZXOLWBZLUIXHN-LBPRGKRZSA-N 380.466 0.650 0 50 GCAA COc1cc(CC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc(OC)c1OC 1857720761 JDJLDDNLRXJHDV-BEFAXECRSA-N 376.409 0.815 0 50 GCAA O=S1(=O)CCN(S(=O)(=O)c2c(Cl)ccc3c2OCCO3)CCN1 1875318463 QYNBPEATGXMQOS-UHFFFAOYSA-N 382.847 0.035 0 50 GCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356157478 MSTLJRRABNCBTK-CRAIPNDOSA-N 393.465 0.798 0 50 GCAA O=C(CCc1cnccn1)N[C@H]1C[C@H](C(=O)NCCc2cscn2)C[C@@H]1O 2356169369 ZLMWXTOKESXYIZ-RCBQFDQVSA-N 389.481 0.480 0 50 GCAA CO[C@H](CNC(=O)CCCn1nnnc1CN1CCOCC1)c1cccs1 19743381 LOEVHBDAMDSSBX-CQSZACIVSA-N 394.501 0.851 0 50 GCAA OCCN1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 19794656 JCLYYEJMHMAUPT-UHFFFAOYSA-N 375.521 0.967 0 50 GCAA CN1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 22934785 ISPQLRXVKJKRSD-UHFFFAOYSA-N 397.545 0.053 0 50 GCAA COCc1cc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)ccc1OC 65398519 QYJSMVGFXMTZGD-DEXNDLTESA-N 376.409 0.649 0 50 GCAA CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67880720 ZOZAVUKNDMLXKA-VIFPVBQESA-N 376.456 0.870 0 50 GCAA CN1CCN(C(=O)[C@H]2CN(Cc3cccc4c3OC(F)(F)O4)CCN2)CC1 72129413 GWBGFVZKCSESIR-CQSZACIVSA-N 382.411 0.556 0 50 GCAA C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCCCCO)c1)c1cnn(C)c1 95378995 SAYPEFGKGLAPON-CYBMUJFWSA-N 380.470 0.962 0 50 GCAA Cn1cc(N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cn1 173660284 DCBOOTYTLNOTQE-UHFFFAOYSA-N 378.436 0.993 0 50 GCAA O=C(CCc1nnc[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 177098713 RHDMFCLYSNCORR-UHFFFAOYSA-N 383.861 0.924 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)ccc1F 219309422 CQAULZCLXAXFMS-CABCVRRESA-N 383.445 0.739 0 50 GCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)ccc21 275226696 CUMGQPMEQGFMBK-GFCCVEGCSA-N 375.454 0.614 0 50 GCAA Cc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)oc1C 328609268 CQFJDGZRVXEIPP-ZDUSSCGKSA-N 381.458 0.982 0 50 GCAA O=C(NCCS(=O)(=O)NCc1ccccc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 374246500 YDSLAYWLHHKVPG-ZOFXXKQRSA-N 379.482 0.517 0 50 GCAA CC(=O)N1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 408355166 QLRXRUCVNIQDPI-MRXNPFEDSA-N 379.482 0.696 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704303620 LXBWWYQTQGJTJU-SJLPKXTDSA-N 381.498 0.561 0 50 GCAA CN1CCN(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)C1=O 1857703072 HYCPECZPSKKJBW-GVDBMIGSSA-N 388.468 0.430 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)NCCN3CCC(CO)CC3)CC2=O)s1 1857730044 XGICXCROPBADIB-AWEZNQCLSA-N 395.529 0.664 0 50 GCAA CNc1cc(N2CCC[C@@H]2CN=c2ccc(S(=O)(=O)N(C)C)c[nH]2)ncn1 1875260721 YDEXTZFGCOFDEU-CYBMUJFWSA-N 391.501 0.666 0 50 GCAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCN2CCS(=O)(=O)C[C@@H]2C1 1875311372 WYJSGZZNMBRQHD-NSHDSACASA-N 392.403 0.792 0 50 GCAA CN(C)CCNC(=O)c1cccc(CNC(=O)c2nn(C)c3c2CNCC3)c1 2325778531 CUWPXIHRFAGFMZ-UHFFFAOYSA-N 384.484 0.287 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356148259 OCXLDNZKFMLKCT-FQEVSTJZSA-N 386.500 0.764 0 50 GCAA OCC(CO)(CO)NC[C@@H](O)CN1c2ccccc2Sc2ccccc21 4150548 MDEPBSNWBGQMIG-CQSZACIVSA-N 376.478 0.956 0 50 GCAA CN(C)c1cnn(CC(=O)N[C@H](CCn2cncn2)c2ccccc2)c(=O)c1 19338926 WVXVEFJJUDPDKC-QGZVFWFLSA-N 381.440 0.849 0 50 GCAA COC(=O)[C@]1(C)N[C@H](c2cnc(-c3ccccn3)nc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65380527 IEOGFJOBFWWNHE-QGDIXAPHSA-N 381.392 0.346 0 50 GCAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H](Cc1ccccc1)n1cnnn1)C2 67756500 CFFWEYVFCSEXRR-OAHLLOKOSA-N 381.396 0.474 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3n[nH]c(=O)c4ccccc34)cc2C1 91746686 MBSONFJWZAVFNG-UHFFFAOYSA-N 395.423 0.547 0 50 GCAA C[C@@H](NC(=O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)C(=O)N(C)C 111244891 NKOILOGAMXSXGG-MRXNPFEDSA-N 396.495 0.859 0 50 GCAA COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 266162341 IXIPGYBZXPNMGE-WFASDCNBSA-N 379.461 0.392 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2cccc3c2OCCO3)CC1 328655810 YSWJZDODWMYHAK-UHFFFAOYSA-N 398.437 0.409 0 50 GCAA O=C1NC(=O)[C@]2(CCN(C(=O)CCNC(=O)c3ccc4ccccc4c3)C2)N1 363133404 RFKVPCUQXJEBLY-HXUWFJFHSA-N 380.404 0.770 0 50 GCAA C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@@H]1CN 366329242 MLFHSMOQVLFZKZ-DVOMOZLQSA-N 394.497 0.273 0 50 GCAA O=C1NCC(=O)N2CCN(C(=O)NC3(Cc4ccc(Cl)cc4)CC3)C[C@@H]12 584895849 GOMSFMLMBOFSML-AWEZNQCLSA-N 376.844 0.767 0 50 GCAA CCOc1ccc(OCC(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529154283 JEMQOVUXZIZWIG-XJKSGUPXSA-N 386.470 0.175 0 50 GCAA O=C1CCc2cc(S(=O)(=O)N3C[C@H]4COCC[C@@]4(C(=O)O)C3)ccc2N1 1609039999 YGMHPBXGRDUWCX-YVEFUNNKSA-N 380.422 0.683 0 50 GCAA O=C(O)CC[C@]12CN(CCn3cnnc3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 1772702742 LIIMAHZXNHSMRW-VQIMIIECSA-N 391.472 0.330 0 50 GCAA Cc1cc(-c2nnc3n2C[C@@]2(CCN(S(=O)(=O)C4CC4)C2)OC3)n(C)n1 1772706782 GPVRLJBVSIQTSN-INIZCTEOSA-N 378.458 0.454 0 50 GCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCN(C)C2(CCOCC2)C1 1775977483 HDNRTJMNCXWACW-UHFFFAOYSA-N 398.481 0.808 0 50 GCAA CCc1nccn1CCC(=O)N1CCC([C@@H](O)CN2CCN(C)CC2)CC1 1857717275 OYUXDUPLJABKBJ-SFHVURJKSA-N 377.533 0.683 0 50 GCAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)CN3CCN(c4ncccn4)CC3)C[C@H]2CO1 1857732881 LHFGTCFJPTVBAI-BZSNNMDCSA-N 388.516 0.213 0 50 GCAA CN1CCN(S(=O)(=O)NC(=O)NCc2ccc(C(F)(F)F)nc2)CC1 1875330841 DSXIKXLBIXILNT-UHFFFAOYSA-N 381.380 0.392 0 50 GCAA O=C(NC[C@H]1CCCN(C(=O)CCn2cnnn2)C1)c1cnc2[nH]cnc2c1 2325786953 KMFRKSFUKWIXEX-GFCCVEGCSA-N 383.416 0.003 0 50 GCAA CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)[C@@H]1CCS(=O)(=O)C1 49547421 JMMHWMPVOADCQE-GFCCVEGCSA-N 379.413 0.695 0 50 GCAA COCCNc1nc2cc(C(=O)N3CCOC[C@@H]3CC(N)=O)ccc2n1C 72432493 JQMJMBDHMHGXAU-ZDUSSCGKSA-N 375.429 0.348 0 50 GCAA CCC(=O)N1CCN(C(=O)Cc2ccccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 72473385 CGZVWZUEHDWCEM-CABCVRRESA-N 380.466 0.484 0 50 GCAA O=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91504294 TWRKWBIHEKHUDP-KRWDZBQOSA-N 389.500 0.562 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCc2ncc[nH]2)c1)N1CCOCC1 95392028 QXQFPLOBYIEVAH-UHFFFAOYSA-N 378.454 0.793 0 50 GCAA Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cn(Cc2cccc(F)c2)nn1 253416892 JXDOCQVNWRVJPT-RDTXWAMCSA-N 397.414 0.949 0 50 GCAA Cn1c(=O)c2cc(C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)cnc2n(C)c1=O 268976538 MLILBERPYHVWFF-ZDUSSCGKSA-N 399.451 0.296 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(Cn3cccn3)cc2)C[C@@H]1O 1529182231 YKVLMDWUZLFXLF-ROUUACIJSA-N 378.498 0.616 0 50 GCAA Cc1cnccc1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1775991917 OQPDPYCZOUVKQX-ZBFHGGJFSA-N 399.451 0.395 0 50 GCAA NCCC(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857670598 ARWZMNDBSKYVAW-QGZVFWFLSA-N 379.432 0.772 0 50 GCAA CN1CC[C@]2(C(=O)NCCO)CCCN(C(=O)c3ccc(CO)cc3)[C@H]2C1 1857690233 XNADKGQYGWWRSP-FXAWDEMLSA-N 375.469 0.214 0 50 GCAA Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)NC(C)(C)C2=O)no1 1857694689 UNLRTEFJOPSRKG-STQMWFEESA-N 389.412 0.015 0 50 GCAA O=C(N[C@H]1CC[C@H](C(=O)NCc2noc(C3CC3)n2)C[C@@H]1O)c1cscn1 1875244484 MBARBRVIHBOCIH-GVXVVHGQSA-N 391.453 0.979 0 50 GCAA CN(C(=O)c1cccc(C(N)=O)c1)C1CC(NC(=O)CCc2cncnc2)C1 1875327264 RXNAKCQYCWVEPD-UHFFFAOYSA-N 381.436 0.928 0 50 GCAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)C2=NNC(=O)CC2)CC1 12050495 MMLCPQGALMYTNM-MRXNPFEDSA-N 391.516 0.872 0 50 GCAA CN(Cc1ccncn1)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 14978083 BOHLZWDNOBTHHB-IBGZPJMESA-N 379.464 0.793 0 50 GCAA COc1ccc(S(=O)(=O)NCCNC(=O)C2=C(C)NC(=O)N[C@@H]2C)cc1 67688765 ODPLAGNSRHNMHD-SNVBAGLBSA-N 382.442 0.065 0 50 GCAA CCc1ccc(CN2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77457097 AAXXSIHDJLWNNI-ZWKOTPCHSA-N 379.526 0.620 0 50 GCAA CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 91665684 GRUJRSPDSBILCH-OAHLLOKOSA-N 395.481 0.900 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C[C@@H]1CO 91964505 KORTTZZGTGVQAG-ZIAGYGMSSA-N 391.443 0.926 0 50 GCAA O=C(CCn1cncn1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 95503692 UVAXBENMCBAOIA-IBGZPJMESA-N 385.472 0.865 0 50 GCAA COc1ccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 100066067 NTJIUANECCEGKP-MRXNPFEDSA-N 389.433 0.764 0 50 GCAA O=C(CN1CCN(Cc2nnnn2-c2ccccc2)CC1)Nc1nncs1 111244787 HQVBFLWUFNLSIP-UHFFFAOYSA-N 385.457 0.270 0 50 GCAA CN(CC1CC1)C(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 125918837 XFJQAAOMCASMGG-UHFFFAOYSA-N 391.497 0.738 0 50 GCAA CCn1ccnc1[C@@H]1N[C@@](C(=O)OC)(c2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@H]12 210146479 LMBXMFHBPXYLHH-CJXDPKRBSA-N 382.420 0.847 0 50 GCAA CNC1CCN(C(=O)c2cccc(S(=O)(=O)N3CC[C@@H](OC)C3)c2)CC1 215097257 ORASBBHGEDNOSN-MRXNPFEDSA-N 381.498 0.920 0 50 GCAA Cc1ccoc1C(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 219490758 PTZIWSZCSGJSTG-LSDHHAIUSA-N 389.433 0.747 0 50 GCAA O=C1CN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)CCN1 245256553 REVWJINPWXQUCD-HDJSIYSDSA-N 397.472 0.869 0 50 GCAA COc1ccc(S(=O)(=O)NC2[C@H]3CC(N)C[C@H]2CS(=O)(=O)C3)c(C)c1 372981698 KVPBKBPSMJMUCN-HSWOEZIZSA-N 388.511 0.432 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N3CCC(c4nncn4C)CC3)CC2=O)s1 1857741363 PBXSGGZABGQKLN-GFCCVEGCSA-N 389.485 0.988 0 50 GCAA CO[C@@H]1CN(c2ccnc(NCc3cn(CCO)nc3C)n2)C[C@@H]1N(C)C 1875398121 BZNPPSLODOYAFO-JKSUJKDBSA-N 375.477 0.351 0 50 GCAA CC(=O)OCC(=O)N1CCn2ncc([S@](C)(=O)=NC(=O)[C@H]3CC3(C)C)c2C1 2325785275 NFPWUAQWJWDCHX-MUDIAHQHSA-N 396.469 0.818 0 50 GCAA CN(C)[C@]1(C)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)C1 2325806791 GZVXSTIPMUXSSG-AUUYWEPGSA-N 383.456 0.772 0 50 GCAA CCOCCn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 12532261 QFUSFZYIZLTBQR-STQMWFEESA-N 379.461 0.079 0 50 GCAA Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1ccccc1 20513207 GLRXJYOMTDEVLG-UHFFFAOYSA-N 396.451 0.381 0 50 GCAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4cc[nH]n4)CC3)C2)CC1 67604698 IFXIUNLEIPVBJT-MRXNPFEDSA-N 388.516 0.500 0 50 GCAA Cc1cc(N2CCC[C@@H](NC(=O)NCc3cnc(N(C)C)n3C)C2=O)n(C)n1 267610479 OADUXPXEQYPTHW-CQSZACIVSA-N 388.476 0.523 0 50 GCAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 299749820 LSWBLPIFBHNYBN-CYBMUJFWSA-N 392.437 0.643 0 50 GCAA COCCOc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)cc1 328616801 CBNIKNCQUJGUHW-UHFFFAOYSA-N 379.438 0.553 0 50 GCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)C1=O 365984531 KCCUUYKFWHWXBI-KPZWWZAWSA-N 375.404 0.636 0 50 GCAA COCC1CCN(S(=O)(=O)NCCc2nc(-c3cccnc3)no2)CC1 670462931 SZHKAFAZLPGUDC-UHFFFAOYSA-N 381.458 0.867 0 50 GCAA COc1cccc(N2CC[C@@H](NC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)c1 892743689 PXBMALRPSWRUKL-PBHICJAKSA-N 397.497 0.729 0 50 GCAA Cc1ccccc1OC[C@@H](O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 952990105 UOORDCHDAQRSKB-MRXNPFEDSA-N 378.450 0.741 0 50 GCAA OC[C@H]1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 1525717001 WQXGYLUABGFDNI-FFPIHLTGSA-N 388.416 0.653 0 50 GCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c(Cl)c(C)nn3C)C[C@@H]2O)no1 1565512867 RWYMOZOTZDRJOE-JQWIXIFHSA-N 381.820 0.684 0 50 GCAA Cc1cc(C)cc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704343330 WJXKRTDBOJEQRW-DZGCQCFKSA-N 376.500 0.488 0 50 GCAA CN1CCN(S(=O)(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CC1 1857666798 XZYBDXZJOQFHBQ-UHFFFAOYSA-N 375.498 0.970 0 50 GCAA COC(=O)c1ccc2c(c1)nc(N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1)n2C 1857722653 LUELFJPUADLFEL-SWLSCSKDSA-N 396.469 0.048 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Cc1nonc1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95517310 SMWASDAHIUMHDV-UHFFFAOYSA-N 384.440 0.956 0 50 GCAA COCCn1nnnc1[C@H]1CN(C(=O)Cc2cnc3c(C)cccn23)CCO1 97259361 HYBBOBIWGDJGAP-OAHLLOKOSA-N 385.428 0.418 0 50 GCAA CNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C(=O)NCCF)c2)o1 215503784 CXIJKKPSMQFVLE-UHFFFAOYSA-N 383.401 0.817 0 50 GCAA CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 219816427 QFBIEHQBQUNQOM-CABCVRRESA-N 383.518 0.565 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C(C)(C)C1 408125905 HGTJRPYHMCDNRU-UHFFFAOYSA-N 386.474 0.748 0 50 GCAA CN1C[C@H](NC(=O)CSc2nnc(N)s2)c2sccc2S1(=O)=O 1506422523 CCVTYSIGFRWDBP-LURJTMIESA-N 391.525 0.766 0 50 GCAA CN(C)S(=O)(=O)CCCN1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704300037 UVFDRUSALWHCLB-WMZOPIPTSA-N 384.498 0.648 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(C(F)(F)F)nn1C 1704315336 SQKSPCHXHSBOOE-DTWKUNHWSA-N 384.380 0.075 0 50 GCAA Cc1nc[nH]c1-c1nnc2n1C[C@]1(CCN(C(=O)c3cccnc3O)C1)OC2 1857704776 FRDFOLJNLKPLQM-GOSISDBHSA-N 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Cn1nccc1CCC(=O)N1CCCN(CC(=O)NC[C@@H]2CCCO2)CC1 1529180175 CFLBHWSNLBNACK-KRWDZBQOSA-N 377.489 0.182 0 50 GCAA Cc1nc(CC(=O)N2CCO[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)cs1 1857707673 YDNWFPGPVSCRNI-HNNXBMFYSA-N 388.515 0.104 0 50 GCAA COC(=O)CCNC(=O)[C@H]1CC[C@@H](OC)[C@H](NC(=O)CCc2ccnn2C)C1 1875242915 IBATWEYUSSJYAD-NUEKZKHPSA-N 394.472 0.332 0 50 GCAA CN(C)[C@@]1(C(N)=O)CCCN(C(=O)CCN=c2[nH]c3ccccc3s2)C1 2325815511 UPPFBUWPMSFSSG-SFHVURJKSA-N 375.498 0.928 0 50 GCAA CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)C(=O)O 16650200 ISJUYAKYAZTXJF-GFCCVEGCSA-N 376.456 0.608 0 50 GCAA O=C(NCCOc1cccnc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20200939 QQNUUKDAHZDLEG-INIZCTEOSA-N 376.457 0.147 0 50 GCAA O=C(Cn1cnc2ccccc21)NCCNc1cc(N2CCOCC2)ncn1 72437025 TXRNKSXUMWHCSZ-UHFFFAOYSA-N 381.440 0.891 0 50 GCAA O=C(O)CN1CCN(Cc2cccc(OC(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77485678 VZMFQTKTKFCRLZ-UONOGXRCSA-N 390.408 0.656 0 50 GCAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CCC1=O 91809178 YQXUCXMHOAIHQG-IBGZPJMESA-N 378.473 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BTNJAZORWYKAGJ-HNNXBMFYSA-N 383.518 0.436 0 50 GCAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2 1506400133 IGFYNUKCIWBMBZ-GGXPGOJBSA-N 381.392 0.626 0 50 GCAA O=C(COc1ccccc1)N1C[C@@H]2CN(C(=O)Cc3ccncc3)C[C@@]2(CO)C1 1772712823 ZYYGFFJCVGXZQC-AVRDEDQJSA-N 395.459 0.982 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)c3cc4ccccc4n(C)c3=O)CCO2)n1 1857723490 IKHCPFGXGTWCKU-INIZCTEOSA-N 398.423 0.385 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)CCn1nnnc1C 1857738689 UCYUKSFBANGQTC-NUEKZKHPSA-N 378.477 0.730 0 50 GCAA COc1ccccc1CNC(=O)c1cn2c(n1)CCN(S(C)(=O)=O)CC2 1875240662 DHVHXNRALJUOGY-UHFFFAOYSA-N 378.454 0.639 0 50 GCAA COCCN(Cc1ccccc1)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(C)=O)C2 1875393831 UVBWYJUIGSBMPQ-QGZVFWFLSA-N 394.493 0.697 0 50 GCAA Cn1c(N2CC[C@@H](NCc3cnn(-c4ccccc4F)c3)C2)cc(=O)n(C)c1=O 1875397920 UABWTRVRQKQYDA-OAHLLOKOSA-N 398.442 0.777 0 50 GCAA Cc1nc(N[C@@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)cc(-c2ccccn2)n1 1875398942 JVZJWHQCJMPJCU-CQSZACIVSA-N 393.451 0.935 0 50 GCAA O=C1CO[C@H](C(=O)NCCn2ncc3ccccc3c2=O)[C@@H](c2ccccc2)N1 2356167102 SAQWTIUTQAUPJM-MOPGFXCFSA-N 392.415 0.769 0 50 GCAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)Cn2cncn2)CC1=O 14540400 HGGXSELXYXAHBM-KRWDZBQOSA-N 386.456 0.585 0 50 GCAA CCCCn1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20683589 DNOKXMJWEMALQF-UHFFFAOYSA-N 388.472 0.590 0 50 GCAA O=C(NCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606981 IZDQEGGFWPZAQP-AWEZNQCLSA-N 387.527 0.597 0 50 GCAA CC(=O)NCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 72145114 DMWMHYZTCPHWJX-IBGZPJMESA-N 382.464 0.783 0 50 GCAA Cc1cc(C)c(CN2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 72422692 JGBOXIBULMOQFY-DLBZAZTESA-N 386.539 0.855 0 50 GCAA CC(C)CN(C)CCN1CC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)OC1=O 77379223 GSYHEBZVHYYZKM-MRXNPFEDSA-N 394.516 0.914 0 50 GCAA COCCNS(=O)(=O)c1cccc2c1CN(C(=O)Cn1cccn1)CC2 77452643 VFZTUZDXHKAKOE-UHFFFAOYSA-N 378.454 0.393 0 50 GCAA Cc1cccnc1N1CCN(C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)CC1 82091391 GPJKJEZCWGHAGJ-INIZCTEOSA-N 380.514 0.548 0 50 GCAA Cc1n[nH]c(CC(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)n1 91645310 DZYIQSUYEXJEGI-UHFFFAOYSA-N 385.472 0.853 0 50 GCAA CC[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)NCc2cnc(C)cn2)c1 95522043 HTFGRRJNVKIEIF-AWEZNQCLSA-N 378.454 0.764 0 50 GCAA COc1ccccc1CNC(=O)CN1C[C@@H]2CN(C(C)=O)C[C@]2(C(=O)O)C1 96167059 TZQLWVDUKQQLPL-DNVCBOLYSA-N 375.425 0.176 0 50 GCAA Cc1cc2[nH]cc(C(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)c(=O)n2n1 102223910 XXQWKANRYLWQKO-FOIQADDNSA-N 380.404 0.942 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)cc1 220553682 PDWOPLGMGSGCAF-INIZCTEOSA-N 376.438 0.630 0 50 GCAA CN1CCc2ccc(S(=O)(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cc21 333297749 LXWCHZSRRQWXQN-UHFFFAOYSA-N 375.454 0.450 0 50 GCAA Cc1cc2ncc(C(=O)N3CCn4c(nn(CC(F)F)c4=O)C3)c(C)n2n1 888091108 OKZKZOHAOHDCTA-UHFFFAOYSA-N 377.355 0.625 0 50 GCAA COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)CCC2 888101584 FTKUWCDNNFKBQM-MCIONIFRSA-N 386.474 0.018 0 50 GCAA CC[C@@]1(C)NC(=O)N(NC(=O)COC(=O)c2nnc(O)c3ccccc23)C1=O 952963013 QOCXLFKFMSZLFN-QGZVFWFLSA-N 387.352 0.244 0 50 GCAA CN1CC2(CCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OCC1=O 1772806533 GDPDJFZWUXHXMC-UHFFFAOYSA-N 384.436 0.706 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(CN(c3noc(-c4ccccc4)n3)CCO2)C1 1857693416 WJGCQJBZEPXSCS-QGZVFWFLSA-N 393.469 0.824 0 50 GCAA Cc1cnc2c(C(=O)N[C@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)cnn2c1 1857726639 APGLEBFEWWJNLY-KKUMJFAQSA-N 386.456 0.088 0 50 GCAA O=C(COc1ccccc1)NCc1nnc2n1CCN(C(=O)[C@H]1CCCO1)CC2 12281365 WGRJFWUXFCQXPE-MRXNPFEDSA-N 399.451 0.537 0 50 GCAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccon1)CC2 77440272 KSVDYVXIKDXJIP-LBPRGKRZSA-N 379.438 0.922 0 50 GCAA COc1cc(CN2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cc2c1OCO2 95387490 KEWHOKDWXOVTQU-RDTXWAMCSA-N 398.481 0.642 0 50 GCAA CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)COc1cccc(-n2cnnn2)c1 221390406 LFTGNYMASHTSIH-UHFFFAOYSA-N 391.391 0.936 0 50 GCAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)CN3CCOCC3)C[C@@H]21 248262327 XCFQTINZGPAFTH-LIRRHRJNSA-N 376.409 0.417 0 50 GCAA NS(=O)(=O)c1cnn(CC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 377315808 GDVWXVWJXFFTHA-AWEZNQCLSA-N 375.454 0.194 0 50 GCAA CCCc1cc(=O)n2[nH]c(NC(=O)c3ccc4c(c3)N(C)C(=O)CO4)nc2n1 1287289516 QGYJZVJEDKCKJT-UHFFFAOYSA-N 382.380 0.978 0 50 GCAA CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1704350383 IUGWGOGESLLPOT-RHSMWYFYSA-N 375.450 0.485 0 50 GCAA CN1CCn2nc(C(=O)NCCc3csc(-c4ncccn4)n3)cc2C1=O 1857678380 FFPZDCVLVZKEFS-UHFFFAOYSA-N 383.437 0.855 0 50 GCAA Cc1nnc2n1C[C@]1(CCN(C(=O)CN3CCOc4ccccc4C3)C1)OC2 1857681576 ABNOMXIZRJDPLI-HXUWFJFHSA-N 383.452 0.982 0 50 GCAA N=c1[nH]c(CCNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cs1 2100541274 YPPJCZHRIQZTFX-CVEARBPZSA-N 387.465 0.740 0 50 GCAA C[C@@H](NC(=O)[C@@H](N)CN1CCCC1=O)c1cc(F)ccc1N1CCN(C)CC1 2325814065 ONGACVKWTWRIIY-PBHICJAKSA-N 391.491 0.704 0 50 GCAA COc1cccc2c1C1(CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC1)OCC2 2356143792 WXZZVLMJYFZQIS-UHFFFAOYSA-N 399.447 0.797 0 50 GCAA Cc1nc2c(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccnc2n1C 2356155695 JSQPDPODNJQIJO-UHFFFAOYSA-N 392.485 0.375 0 50 GCAA CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 816523 UHDPVCZPLYERKS-UHFFFAOYSA-N 383.495 0.953 0 50 GCAA aggregator O=C(Cn1ncc(N2CCNCC2)cc1=O)NCc1cccc(OC(F)F)c1 19839914 SBNKNTGQBSMTJS-UHFFFAOYSA-N 393.394 0.571 0 50 GCAA CC(=O)c1[nH]c(C)c(C(=O)N2CCNC[C@H]2C(=O)N2CCN(C)CC2)c1C 72168324 XVHQNQLIQGMJFZ-HNNXBMFYSA-N 375.473 0.022 0 50 GCAA CCOCCn1nc(C)cc1C(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77354907 MRCMFNYOHKTBCF-IBGZPJMESA-N 380.489 0.527 0 50 GCAA O=C(N[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1O)c1ccncc1 77391325 NVUXYKFMOMLSON-ZYHUDNBSSA-N 383.330 0.829 0 50 GCAA COCCN(C)CCN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)OC1=O 77520015 DVHJUZCZCWBVEK-UHFFFAOYSA-N 379.461 0.723 0 50 GCAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(S(C)(=O)=O)CC1 95505813 KSJLPBSDIXPISP-UHFFFAOYSA-N 386.470 0.874 0 50 GCAA CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 96132463 ANTWXQDAWLTXBH-HZPDHXFCSA-N 397.479 0.673 0 50 GCAA O=S(=O)(CCNC1CCN(c2ncnc3[nH]cnc23)CC1)N1CCCC1 96150337 ABNMNGGBBATLOU-UHFFFAOYSA-N 379.490 0.337 0 50 GCAA O=C(CCNC(=O)Cc1ccccc1)NCCCN1C(=O)NC2(CCC2)C1=O 170595163 MHPSFTDOLPBVLZ-UHFFFAOYSA-N 386.452 0.716 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 223725765 PNESDKQROLEXAY-AXAPSJFSSA-N 378.454 0.618 0 50 GCAA CCCn1c(O)nc(=O)c2c(C(=O)NC[C@](C)(O)C(=O)O)cc(C(C)C)nc21 262471565 ZBZQFLVOQJCGPJ-SFHVURJKSA-N 392.412 0.596 0 50 GCAA O=C(CN1CCCC1)N1CCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 363298770 INEPDXQSOASYMW-QGZVFWFLSA-N 390.488 0.834 0 50 GCAA Cc1ccn(CCC(=O)NC[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 1506398869 GPUAICUNEQKDSG-INIZCTEOSA-N 383.518 0.750 0 50 GCAA CCc1cc(N2CCC(c3nnc(CO)n3C)CC2)nc(N2CCOCC2)n1 1704302677 BHDWZXSZIPSLDL-UHFFFAOYSA-N 387.488 0.880 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCN(c2nsc3ccccc23)CC1 1857671869 UZNWBOLTEHZLAF-UHFFFAOYSA-N 381.425 0.958 0 50 GCAA CN(C[C@H](O)CNC(=O)c1cccc(N(C)C)c1)C(=O)[C@@]1(C)CCNC(=O)C1 2325826697 JUKNZPHJKSVQPD-UZLBHIALSA-N 390.484 0.218 0 50 GCAA O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCO)C4=O)cc2C(=O)N1CCO 911854 VVLFUCAJJOFCCV-UHFFFAOYSA-N 396.355 0.656 0 50 GCAA CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCCOC)cc1 19820925 IOSPKQPMGXAJMR-HOTGVXAUSA-N 375.512 0.814 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCC(=O)NC3CC3)C2=O)c1 67821473 BQMPURAPLRFGLJ-IBGZPJMESA-N 379.432 0.556 0 50 GCAA COc1nc2c(cc1CNC(=O)CNC(C)=O)C(=O)N(CCc1ccccn1)C2 71748421 RRRNONFMSKKKDS-UHFFFAOYSA-N 397.435 0.436 0 50 GCAA CN1CCN(C(=O)N2CCn3nc(CN4CCC(CO)CC4)cc3C2)CC1 72474279 SGZGAJSSQDYJHR-UHFFFAOYSA-N 376.505 0.270 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCOCC1 95366772 MASSLDQNEDOWBF-UHFFFAOYSA-N 378.454 0.724 0 50 GCAA Cc1nc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC2)c2cnn(C)c2n1 114398756 OLXLMPSNPKMYRP-GFCCVEGCSA-N 397.439 0.732 0 50 GCAA O=C(C(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1)N1CCCC1 156188934 LBLJKHLVMIKGIS-CYBMUJFWSA-N 390.406 0.306 0 50 GCAA CCOC(=O)CNC(=O)N1C[C@@H]2OC(=O)N(Cc3ccccc3OC)[C@@H]2C1 206704366 WAZJEGKPUSSEEN-HIFRSBDPSA-N 377.397 0.973 0 50 GCAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCSc3cn[nH]n3)ccc21 216106738 BHNUBUMJSFJZFT-LBPRGKRZSA-N 387.469 0.785 0 50 GCAA COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2csnn2)[C@H]2C(=O)N(C)C(=O)[C@H]21 247847690 QACGYLGOFBOKDG-NUXNZHGMSA-N 386.433 0.568 0 50 GCAA Cc1cc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3c3ncnn3C)C2)n(C)n1 288476804 NBGYDDMGJJOSLN-LSDHHAIUSA-N 388.476 0.609 0 50 GCAA CCOc1ccc(-n2ncc(C(=O)N3CCO[C@H](CC(=O)O)C3)c2C)nn1 299747834 FHNRKBYHBNFOBT-GFCCVEGCSA-N 375.385 0.685 0 50 GCAA O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 329702433 IDOGTARFXMKYOP-QZTJIDSGSA-N 399.557 0.950 0 50 GCAA NCCOc1cccc(CC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 426419995 DZSYAJINOCUJEF-SFHVURJKSA-N 375.469 0.807 0 50 GCAA CSCC[C@H](NC(C)=O)C(=O)N1CCC(CNC(=O)[C@H]2CCCO2)CC1 824905708 MSGLNXLNSSUHEU-JKSUJKDBSA-N 385.530 0.778 0 50 GCAA Cn1nncc1S(=O)(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952892658 FVFYEOKCRZETJG-LBPRGKRZSA-N 392.363 0.970 0 50 GCAA CC1(C)[C@@H](NC(=O)C23C4C5C2C2C3C4C52C(=O)N[C@@H]2C[C@@H](O)C2(C)C)C[C@H]1O 1338960889 SAIDTZXUYVMLIB-APJVAXCFSA-N 386.492 0.276 0 50 GCAA Cn1c(=O)c2cc(S(=O)(=O)NCc3cccn4nccc34)ccc2n(C)c1=O 1772808323 MRXFZLHSRAHDEW-UHFFFAOYSA-N 399.432 0.363 0 50 GCAA O=C(N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2)[C@@H]1CCOC1 1857690919 UUPRBTPXDCZQSA-NXEZDXNNSA-N 399.447 0.984 0 50 GCAA Cn1cnnc1Sc1ccc(-c2nccn2[C@H]2C[C@H]3C(=O)NCC(=O)N3C2)o1 1857728313 WOSVYGYZWDQTGO-QWRGUYRKSA-N 399.436 0.695 0 50 GCAA CN(C)Cc1cccc(C(=O)NCC23CC(C(N)=O)(C2)C2(CCNCC2)O3)c1 1875393622 QVTVCGBITVBIFR-UHFFFAOYSA-N 386.496 0.635 0 50 GCAA CN1C[C@H]2C[C@@H](N(C)C(=O)CNS(=O)(=O)c3cccs3)C[C@H]2CC1=O 2356166275 ZXVKSGXBFMHTBB-XQQFMLRXSA-N 385.511 0.742 0 50 GCAA COc1ccccc1CCNC(=O)CN1CCC[C@]12CCCN(CCO)C2=O 2356167408 OJBKDEBWCNOIPS-NRFANRHFSA-N 389.496 0.803 0 50 GCAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 12594438 LNZUQFQZVSPCFM-CQSZACIVSA-N 393.440 0.026 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)c(OC)c1 15073763 ORLICAPOYPQKSQ-INIZCTEOSA-N 393.484 0.529 0 50 GCAA Cc1ccc2nsnc2c1S(=O)(=O)N1CCC2(CC1)NCCNC2=O 67754838 USIVVHAWWYFHDW-UHFFFAOYSA-N 381.483 0.242 0 50 GCAA CCc1cc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 72432796 YVGOZHNRTHEXRI-CABCVRRESA-N 381.454 0.487 0 50 GCAA C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1)c1n[nH]c(=O)[nH]1 95366242 JISKUQVJABQFSY-NSHDSACASA-N 379.442 0.764 0 50 GCAA CC(C)Cn1c(CN2CCN(CC(=O)N(C)C)CC2)cnc1S(C)(=O)=O 96791710 ZHWKAKHHGVJOPO-UHFFFAOYSA-N 385.534 0.148 0 50 GCAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)cn1 189219833 FTRMSEHKQCQREM-OAHLLOKOSA-N 377.426 0.835 0 50 GCAA CCc1c(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cnn1-c1ccccn1 262555446 WEYNXVBSMMRICD-OAHLLOKOSA-N 382.468 0.866 0 50 GCAA Cc1cccc2nc(C(=O)N(CC(=O)O)C3CCN(S(C)(=O)=O)CC3)cn12 328641711 QTINPRHAEAUYDV-UHFFFAOYSA-N 394.453 0.594 0 50 GCAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)C1 363101151 HEGUVCYEBUGTNV-KBPBESRZSA-N 398.485 0.306 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c1 408394370 PRFCJEMUBCDHOS-NSHDSACASA-N 375.472 0.493 0 50 GCAA COc1ccc(OC)c(CNC(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c1 426386891 LTYVNLRHZSXRJS-IRXDYDNUSA-N 378.473 0.206 0 50 GCAA COCCC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccncc3C)C2)C(=O)C1 1775990257 WMRDUYFDKKJJJF-MRXNPFEDSA-N 388.468 0.702 0 50 GCAA CCc1cc(CN(C)C(=O)[C@H]2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)on1 1857695891 CQHPOHGJQDTRGT-NUTKFTJISA-N 387.440 0.945 0 50 GCAA N=c1[nH]nc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3ccccc3F)C2)s1 1875248415 OYTHMJRCUWDPPR-UWJYBYFXSA-N 379.417 0.275 0 50 GCAA Cn1c(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc(=O)n(C)c1=O 1875262251 MMXSXLOLPAVWOM-MRXNPFEDSA-N 384.436 0.395 0 50 GCAA O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1875266269 RKKSEUOLLNDADR-UKRRQHHQSA-N 389.408 0.176 0 50 GCAA NS(=O)(=O)NC1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1 2325758800 KSQXEYAFNQKZNL-UHFFFAOYSA-N 385.829 0.844 0 50 GCAA COCC(C)(C)N(C)C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887719 GVZQZMLEUOFQBE-HNNXBMFYSA-N 387.436 0.945 0 50 GCAA COc1cc(CNCCNC(C)=O)ccc1OC[C@@H](O)CN1CCSCC1 11838657 XEVBIQIVJIOYGJ-KRWDZBQOSA-N 397.541 0.709 0 50 GCAA O=C(NC1CC1)c1cn(C2CCN(c3nnnn3-c3ccccc3)CC2)nn1 67673474 YZUNCLOHGLDAGF-UHFFFAOYSA-N 379.428 0.988 0 50 GCAA CN(C)C(=O)CCCNS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67909520 PGESRPGCPKTSLE-UHFFFAOYSA-N 375.472 0.239 0 50 GCAA CCN1CCN(CCN2CC3(CCN(C(=O)[C@H]4CCCO4)CC3)OC2=O)CC1 77426987 HMIXXRAJCVECKG-QGZVFWFLSA-N 394.516 0.616 0 50 GCAA CN1CC2(CCN(C(=O)c3cn(CC[C@@H]4CCCCN4)nn3)CC2)OC1=O 77540023 KXVYBQZBXPZAMZ-AWEZNQCLSA-N 376.461 0.867 0 50 GCAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3n[nH]c(N)n3)cc2)CC1 95526984 NMKZJKBDNWSJFR-UHFFFAOYSA-N 388.428 0.333 0 50 GCAA CN1CCN(Cc2nc(-c3ccco3)no2)C[C@]12CCC(=O)N(CCO)CC2 108023187 DFNLJURBXQYBMP-LJQANCHMSA-N 389.456 0.821 0 50 GCAA Cn1c(=O)c2c(ncn2CCN2CCC(COc3ccccn3)CC2)n(C)c1=O 225438012 CLZZJOJBWCNAPJ-UHFFFAOYSA-N 398.467 0.620 0 50 GCAA CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2cc(=O)n(C)c(=O)n2C)c1C 329141181 KCBVIZHXJJOXAZ-UHFFFAOYSA-N 395.485 0.119 0 50 GCAA CC(C)(C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1)S(=O)(=O)C1CC1 329648584 BQDGWFLNLQUTBS-LBPRGKRZSA-N 377.470 1.098 0 50 GCAA O=C(C1CC1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(CC2(O)CCC2)CC1 888103571 NPORGRQQTFGUOS-DLBZAZTESA-N 376.501 0.771 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 1506395530 JEKPAOLFOZKGGM-SFHVURJKSA-N 388.578 0.549 0 50 GCAA Cc1nc[nH]c1CN1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565508030 WXWHOWPITKNDRC-CVEARBPZSA-N 375.454 0.237 0 50 GCAA CN(C(=O)c1ccc(-c2noc(C3CC3)n2)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565511556 ZQCAISUCEDQAPM-KBPBESRZSA-N 377.422 0.844 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCc2[nH]nc(C3CC3)c2CC1 1857670201 AQYUBFJNRJVFNT-UHFFFAOYSA-N 381.484 0.827 0 50 GCAA O=C(CNS(=O)(=O)c1ccc(F)cc1)NC[C@@H]1Cc2ccccc2CN1 1875269929 OWWCDNBESGXQNA-INIZCTEOSA-N 377.441 0.935 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOC(C)C)c(OC)c1 12004993 GFHTWJRBTUHKOP-QGZVFWFLSA-N 393.484 0.936 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nccn1C 12307013 GIYIKUAGOBKUTD-INIZCTEOSA-N 385.468 0.778 0 50 GCAA Cc1cc(N2CCN(C(=O)c3snnc3C)CC2)nc(N2CCOCC2)n1 65363210 QXTBPUNYKVPAMF-UHFFFAOYSA-N 389.485 0.744 0 50 GCAA CN1CCCn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1 65468932 NOKXNBIHEDUQMH-UHFFFAOYSA-N 377.470 0.339 0 50 GCAA O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1cc(=O)[nH]c(=O)[nH]1 72166728 COLNQLWBLYABJY-AWEZNQCLSA-N 378.388 0.747 0 50 GCAA C[C@@H](NS(C)(=O)=O)C(=O)Nc1nn(C)c2cccc(N3CCOCC3)c12 72432715 YZGVBLPDJSPBJP-LLVKDONJSA-N 381.458 0.286 0 50 GCAA CN(C)c1ncc(-c2cn(CCn3nc(O)c4ccccc4c3=O)nn2)cn1 91550458 RCISETMFUDAEIY-UHFFFAOYSA-N 378.396 0.917 0 50 GCAA O=C(C[C@@H]1CNCCO1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95522790 SBGOMONATXYRCA-OAHLLOKOSA-N 387.484 0.401 0 50 GCAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H]1COc2ccccc2C1 95525441 BGBHGQZGHWUWKO-INIZCTEOSA-N 386.456 0.405 0 50 GCAA CNC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3n[nH]c(C)n3)c2)CC1 215485584 DYUSEEZABXYQKB-UHFFFAOYSA-N 392.485 0.416 0 50 GCAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C1 252536023 HLYZYLGHANMESP-BETUJISGSA-N 384.440 0.886 0 50 GCAA O=C(NCc1ccc(-n2ccnc2)nc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 363618477 JHRLKFFWGVJQEZ-MRXNPFEDSA-N 384.440 0.800 0 50 GCAA CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cnnn2C)cc1F 808565094 QWYYFAVZRXAWLG-UHFFFAOYSA-N 377.423 0.905 0 50 GCAA COC[C@@H]1C[C@@H](OC)CN1c1ncnc2c1ncn2CC1(O)CCOCC1 888097200 DNPBEYAMUXMQBJ-UONOGXRCSA-N 377.445 0.608 0 50 GCAA Cc1cc(C)n(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)c(=O)n1 1565513652 RJJCZAJXNRXXQN-AEFFLSMTSA-N 395.463 0.905 0 50 GCAA CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1NS(=O)(=O)N(C)C 1565526839 MVVQIDVWRCPQGF-KGLIPLIRSA-N 383.470 0.908 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccn1)CCN2Cc1ccc(CO)o1 1565528006 GMBXPWUJJMKOEQ-ZWKOTPCHSA-N 377.466 0.650 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(Cl)c1 1704297675 UWPBJSVUOYQJNF-AAEUAGOBSA-N 376.862 0.611 0 50 GCAA CCc1c(C)nn(CC(=O)N2CCCN(Cc3cc(O)nc(O)n3)CC2)c1C 1772805038 WSKBIXNQUNOZSF-UHFFFAOYSA-N 388.472 0.998 0 50 GCAA CN1CC[C@]2(C(=O)NCCn3cccn3)CCCN(C(=O)c3cn(C)cn3)[C@H]2C1 1775981403 SIYCKPLJLUREOB-FXAWDEMLSA-N 399.499 0.360 0 50 GCAA CCc1ncnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)CN(C)C)C3)C2)c1F 1857693512 ABKRIKYNWOEIEW-BEFAXECRSA-N 379.480 0.920 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cn3ccncc3n2)C[C@H]1NC(=O)CO 1857705320 BVUVCPNFANAQLC-NUEKZKHPSA-N 389.456 0.418 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857737184 AJIJCPIWOVFRGF-GJZGRUSLSA-N 383.474 0.717 0 50 GCAA Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3nsnc3C)C2)no1 2100545033 FTGHEJAVOVLIFC-CYZMBNFOSA-N 379.442 0.671 0 50 GCAA CC(C)=C(F)C(=O)N1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H](O)C1 2325878175 HBGDGZJUDUJWHT-QWHCGFSZSA-N 388.461 0.153 0 50 GCAA CC(C)[C@@H](NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895691 GSRNUPWXGFRTBA-UKRRQHHQSA-N 387.392 0.287 0 50 GCAA C[C@@]1(NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CCCNC1 2325896371 XDEOTPLDMYRXNZ-MGPUTAFESA-N 384.436 0.320 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)O)C4)cc3C2=O)C(=O)N1 2325896713 DZDDNGWTVLSVPB-MBNYWOFBSA-N 385.376 0.041 0 50 GCAA CC(C)Cn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)C[C@@H]1CCCO1 64609589 VGCWIVYUOLEXOJ-HNNXBMFYSA-N 384.502 0.424 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ncc[nH]2)c1OC 72161756 HZGCAAVYPAVBHY-CQSZACIVSA-N 387.440 0.434 0 50 GCAA CCN1CC2(CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)CC1=O 72481461 HPVKLRWSCHARQJ-UHFFFAOYSA-N 383.445 0.948 0 50 GCAA CN1CCN(C(=O)C(C)(C)NC(=O)c2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 77515731 AMRWEOKMWZWYJV-NEPJUHHUSA-N 385.511 0.196 0 50 GCAA CCN1CCN(C(=O)COCC(F)(F)C(F)F)[C@H]2CS(=O)(=O)C[C@H]21 77524549 ZIQUOZIRWVVTOX-ZJUUUORDSA-N 376.372 0.233 0 50 GCAA CC(C)CCN1C[C@]2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O 91504882 XADAMZCISNAGPK-HXUWFJFHSA-N 390.484 0.883 0 50 GCAA CCN1C[C@@H](NS(=O)(=O)c2cccc(C(=O)N(C)CCOC)c2)CC1=O 95375345 WDPIITHXFFXONT-AWEZNQCLSA-N 383.470 0.304 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N[C@@H]2CCCNC2)c1 95376067 YMUQBHCOJBTQCQ-OAHLLOKOSA-N 377.470 0.343 0 50 GCAA CCN1CCN(CC(=O)N(Cc2cnn(C)c2)C2CCCCC2)C(=O)C1=O 95499478 SYKFPBMCAUVGQC-UHFFFAOYSA-N 375.473 0.772 0 50 GCAA CN(CCc1ncnn1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 97729475 ZTVXUQXVMNTDFL-AWEZNQCLSA-N 378.454 0.717 0 50 GCAA C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215705226 IZKNUPCSLTUBIQ-HNNXBMFYSA-N 381.498 0.922 0 50 GCAA O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 223217089 YQEKIHJCCFOMPK-ZIAGYGMSSA-N 379.438 0.191 0 50 GCAA COC(=O)c1cn(-c2ccc(N3CCCS3(=O)=O)cc2)cc2c(=O)[nH]nc1-2 253413674 VKESXRLTHMWDDM-UHFFFAOYSA-N 388.405 0.992 0 50 GCAA CC[C@H](NC(=O)N1CCS(=O)(=O)c2ccccc2C1)C(=O)N1CCOCC1 275000359 WDPSJNDVQLSPKM-HNNXBMFYSA-N 395.481 0.623 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 333893208 HJIRYJARKHPKLX-FZMZJTMJSA-N 395.886 0.925 0 50 GCAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccc(C)nc2N)cc1 426429886 YBJMNIPBBOVZBL-MRXNPFEDSA-N 381.436 0.716 0 50 GCAA CC(C)c1nnc(N2C[C@@H](C(=O)N3CCN(c4nc[nH]n4)CC3)CC2=O)s1 1857715397 PMGSRPZGKOIXOO-NSHDSACASA-N 390.473 0.481 0 50 GCAA COCc1ccc(Cn2nnnc2N(C)C[C@@H]2CCS(=O)(=O)C2)cc1F 1875328520 WSPNPCDBZRHMQG-ZDUSSCGKSA-N 383.449 0.878 0 50 GCAA CCc1c(C(=O)N2CC3(C2)[C@@H](C(N)=O)CCS3(=O)=O)cnn1CC(C)C 1875396216 ZCBLVZVKGZOANL-CYBMUJFWSA-N 382.486 0.216 0 50 GCAA COc1ncccc1C(=O)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O 1940197374 LVTYMECDVGOBDM-BPUTZDHNSA-N 387.440 0.363 0 50 GCAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)[C@H]3COc4ccc(Cl)cc4C3)CO[C@H]12 2325865498 FQSJWDDQPXUQBY-RZQILNRJSA-N 380.828 0.678 0 50 GCAA COC(=O)C1=C(O)[C@]2(C(=O)OC)CC(C(=O)OC)=C(O)[C@](C(=O)OC)(C1)C2 5432693 RTOPVTVAOFUQAH-IRXDYDNUSA-N 384.337 0.473 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOC(C)C)c1OC 12313801 RNKAFNPSWSYNSR-MRXNPFEDSA-N 393.484 0.936 0 50 GCAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)cc1 15064739 PZOVMQSNAKVWBL-JKSUJKDBSA-N 383.470 0.939 0 50 GCAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 72135260 DJBSGKQMCHMFIU-SFHVURJKSA-N 384.480 0.782 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCN(C)CC3)[C@H]4C2=O)c1 77355702 MXQGGJVTFUUFGK-OZIGNCPNSA-N 397.475 0.751 0 50 GCAA CCOCCC(=O)N1CCN(Cc2cnn(CC)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 82087859 OOQMZUPRTZLIIE-CVEARBPZSA-N 384.502 0.139 0 50 GCAA CC(C)CN(C)C(=O)c1cccc(S(=O)(=O)NCCN2CCNC2=O)c1 95358870 SBCBRODGJYCGQT-UHFFFAOYSA-N 382.486 0.718 0 50 GCAA COc1ccccc1CNC(=O)CN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 95374618 NPEWWJIPMYEPKJ-NRFANRHFSA-N 388.512 0.940 0 50 GCAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1 96162535 IMARVAUWKQZHQO-HNNXBMFYSA-N 394.472 0.043 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cn3ccsc3n1)C2 247958644 PMFRQKSUPQCJSJ-NEPJUHHUSA-N 383.499 0.739 0 50 GCAA C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@@]2(CCO[C@@H]2C)O1 366151159 IYJKZCYMTYOXJI-CKEIUWERSA-N 398.485 0.338 0 50 GCAA O=C1CC[C@H](OC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)N1 798580298 OFHBDMQVAMMYJJ-OCCSQVGLSA-N 396.421 0.106 0 50 GCAA O=C1NCCCn2cc(nn2)CC2(CCNCC2)C(=O)N[C@H]1Cc1ccccc1 952866986 HYOLUHCVQJFPRK-SFHVURJKSA-N 396.495 0.438 0 50 GCAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)NCC[C@H]3CCCN3)C4)C[C@H]2C1 952890941 ODZCRPYUKYCNSO-FGTMMUONSA-N 399.543 0.684 0 50 GCAA O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1251134539 RFUDURDNZHAMOF-UHFFFAOYSA-N 390.465 0.993 0 50 GCAA CNC(=O)CCC(C)(C)NC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529090935 KRUGWVCEOOEGJQ-MSOLQXFVSA-N 388.468 0.934 0 50 GCAA CCCCNC(=O)N1C[C@H]2CN(C(=O)CCc3cnccn3)C[C@@]2(CO)C1 1772817563 DRLPLMSPJWAGFD-BEFAXECRSA-N 375.473 0.672 0 50 GCAA CC[C@@](C)(O)c1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355670 DPLXRVOWOQASHA-IFXJQAMLSA-N 383.408 0.646 0 50 GCAA CNC(=O)C12CC(CNC(=O)c3ncn4ccc(C)cc34)(C1)OC21CCNCC1 1875393784 SSQFLXMGODEUPB-UHFFFAOYSA-N 397.479 0.790 0 50 GCAA Cc1cc(C)n(CCCC(=O)N2CC3(C2)[C@@H](C(=O)N(C)C)CCS3(=O)=O)n1 1875395699 JHGRKXJSALTASN-OAHLLOKOSA-N 396.513 0.384 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)CC[C@H]1O)c1cnn[nH]1 2100477086 DLGFHJJNMKHOBC-JGGQBBKZSA-N 375.404 0.562 0 50 GCAA CC(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@@H](N(C)C(=O)CN1CC(=O)NC1=O)C2 2325878654 XQRIQXKDXBYNCN-QDMKHBRRSA-N 378.473 0.955 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)N(C)CCCN2CCCC2)C[C@@H](C)O1 20232980 RAXJROQLTHALCD-IYBDPMFKSA-N 379.509 0.227 0 50 GCAA O=C([C@@H]1CCCO1)N1CCN(c2nc(-c3ccncc3)nc3c2CNC3)CC1 72166275 YSOMOTQFFLETMI-KRWDZBQOSA-N 380.452 0.969 0 50 GCAA Cc1cccc2c(=O)c(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)c[nH]c12 72410544 XNVHAAXIACZHKL-CABCVRRESA-N 375.450 0.390 0 50 GCAA O=C(O)C[C@@H]1COCCN1C(=O)c1sccc1S(=O)(=O)N1CCCC1 72454231 HJUVHBXVAPZEQS-LLVKDONJSA-N 388.467 0.848 0 50 GCAA CCOCCn1nc(C)cc1C(=O)N1CCOC[C@@](O)(CN2CCCC2)C1 77354909 MRCMFNYOHKTBCF-LJQANCHMSA-N 380.489 0.527 0 50 GCAA Cc1ccc2nc(CN3CCn4nc(CCC(=O)NCCO)cc4C3)cn2c1 82121745 HWEBWUNZFYSIBU-UHFFFAOYSA-N 382.468 0.896 0 50 GCAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(CCn3cnnc3)C2)cc1 95529787 BEZOHDJMRXICMJ-OAHLLOKOSA-N 379.486 0.977 0 50 GCAA CCc1cc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc(=O)[nH]1 95529807 INZUKOQBIQOWQT-CVEARBPZSA-N 381.498 0.517 0 50 GCAA CN1CCN(Cc2nnc(C3CCN(C(=O)c4ccccn4)CC3)n2C)CC1 96133082 QZQILRJIYFIXLT-UHFFFAOYSA-N 383.500 0.977 0 50 GCAA CCN1CCN(CCOc2ccc(CN3C[C@H](O)[C@@H](N(C)C)C3)cc2)CC1 215725539 KEGKXRKLULARPU-SFTDATJTSA-N 376.545 0.810 0 50 GCAA Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)Cn1c(nnc1Cn1cccn1)CO2 1857685759 SFHMZZFRVGXTCS-GOSISDBHSA-N 383.412 0.943 0 50 GCAA CC(=O)NCC(=O)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3(C)CCCC3)C2)C1 1857688661 VPAMAMHJOYLZJI-OXQOHEQNSA-N 379.501 0.905 0 50 GCAA Cc1nc2c(c(=NCC(N)=O)[nH]1)CC[C@@]21CCCN(C(=O)c2cccn2C)C1 1875243037 MLPMOJZZSHSJNA-HXUWFJFHSA-N 382.468 0.563 0 50 GCAA Cn1ccc(C(=O)NCC2CN(C(=O)c3ncoc3[C@H]3CCCO3)C2)cc1=O 1875310384 OGJQFQUBOWVWFF-CQSZACIVSA-N 386.408 0.727 0 50 GCAA 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50 GCAA O=C(O)CN1CCC[C@@H](CNS(=O)(=O)c2cccc3ccncc23)C1=O 2325875474 SYIFJXKBOLDSPF-ZDUSSCGKSA-N 377.422 0.836 0 50 GCAA CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCOc2ccccc2)CC1 1263970 ZGBHMFCSYZVGQJ-UHFFFAOYSA-N 384.440 0.254 0 50 GCAA COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 14291864 VYPLICDYGSIABK-AWEZNQCLSA-N 384.454 0.625 0 50 GCAA O=C(Nc1cccc(-n2cnnn2)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 51189952 SWDIETBVGRZKBG-AWEZNQCLSA-N 385.428 0.765 0 50 GCAA COc1ccc(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 72420413 HLWCRGBBOXBLLK-JKSUJKDBSA-N 394.493 0.924 0 50 GCAA CC[C@@]1(O)CCN(C(=O)c2ccccc2N2CCS(=O)(=O)CC2)C[C@H]1O 72428285 YYVJDRNIJFAQMO-SJLPKXTDSA-N 382.482 0.269 0 50 GCAA COc1coc(C(=O)N2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)cc1=O 91550822 FBHXADPEOSCWAD-CYBMUJFWSA-N 378.425 0.874 0 50 GCAA CCc1nc(CNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)no1 95521489 BEIXSYZMPAAENP-UHFFFAOYSA-N 382.428 0.493 0 50 GCAA CN[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 133844777 FYXTZUDZMWYQPD-RHSMWYFYSA-N 385.468 0.334 0 50 GCAA CN(C)[C@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc2c(c1)OCO2 426730386 ITIIMVPLMGIXNI-INIZCTEOSA-N 383.470 0.512 0 50 GCAA Cc1nc2ccc(CC(=O)N[C@@H]3CN4CCCC[C@@]4(C(=O)NCCO)C3)cc2[nH]1 1857706984 DYXRDXBIUCUWDK-KKSFZXQISA-N 399.495 0.636 0 50 GCAA CC(C)[C@H]1CNCCN1C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325890781 XNEIYTDEMXASJI-DLBZAZTESA-N 398.463 0.518 0 50 GCAA O=C1CC[C@H](N2C(=O)C=C(N3CC[C@H](OCc4ccccc4)C3)C2=O)C(=O)N1 2325900255 RCIBMVJGYCPQBU-GJZGRUSLSA-N 383.404 0.335 0 50 GCAA Cc1sc(-n2cnnn2)c(C(=O)N2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)c1C 2356142344 OMDNDODWRNBWOQ-XREXNNHRSA-N 375.454 0.953 0 50 GCAA NC(=O)c1noc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356152612 RPXPYANVRYPQMK-LXIYXOSZSA-N 377.445 0.429 0 50 GCAA Cc1cc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)n2ncnc2n1 30868579 BIPKLUSJFOUMKS-UHFFFAOYSA-N 393.407 0.689 0 50 GCAA COC(=O)[C@]1(C)N[C@H](c2cnn(-c3ccccc3C)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65505833 BAZMOWPAGDCAKN-AXHMDWHKSA-N 382.420 0.988 0 50 GCAA CCn1c(C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nn(C)c1=O 67975097 MFXWKAZWLMKISP-UHFFFAOYSA-N 385.424 0.916 0 50 GCAA CC(=O)NCCN1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71615053 ILYAMPJXXCLDAO-SFHVURJKSA-N 379.549 0.073 0 50 GCAA Cc1nonc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71754373 MDMYXHWAQNZXFK-OAHLLOKOSA-N 391.472 0.553 0 50 GCAA Cc1cc(S(=O)(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)n(C)n1 95510993 RCOIWBXWGOJQBH-OAHLLOKOSA-N 384.502 0.768 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 215895103 HRANWIUSFLMTFJ-CQSZACIVSA-N 381.454 0.045 0 50 GCAA O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCCc2nccs2)c1 215992202 ZJJYXQHZCPLSNJ-CYBMUJFWSA-N 380.495 0.756 0 50 GCAA O=C(CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 223224881 SKDRSBMQMRHXPP-UONOGXRCSA-N 397.428 0.330 0 50 GCAA O=C([C@H]1CCCN1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 261874054 SSXJCSYKEGDRRV-GFCCVEGCSA-N 381.483 0.998 0 50 GCAA Cn1nc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ccc1=O 670443511 TWRGBLGZXRQJLL-RNFHDMOYSA-N 379.464 0.078 0 50 GCAA COC(=O)c1cn([C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)cc2c(O)nnc1-2 888089982 SILGJRHTYIAZTP-SMDDNHRTSA-N 390.377 0.690 0 50 GCAA Cc1ncsc1CN1CCC2(CC1)CN(C(=O)c1n[nH]c(O)n1)CCO2 952868178 CMCYECQEIJJDGK-UHFFFAOYSA-N 378.458 0.782 0 50 GCAA CN1CC2(CCN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)CC2)OCC1=O 1772805340 LFIIKEDAOHACDN-KRWDZBQOSA-N 385.464 0.852 0 50 GCAA Cn1c(CNC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)cc(=O)n(C)c1=O 1875365387 QFBPXALVGQKYBI-FQEVSTJZSA-N 384.436 0.395 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cc(O)nc(C)n2)CC[C@H]1NC(=O)CO 2100537766 UQDOUVKXZGLOIA-NWANDNLSSA-N 380.445 0.179 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCc3nc(-c4ccccc4)nn3CC2)C1=O 2356159948 XBHKMCZITVTMJQ-UHFFFAOYSA-N 382.424 0.660 0 50 GCAA CCOC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2COc3ccccc3O2)CC1 13735538 HHPHFQHVJJTNIC-HNNXBMFYSA-N 377.397 0.243 0 50 GCAA CC(C)CC(=O)C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 14879988 ONDBXHLQADTVMB-UHFFFAOYSA-N 384.440 0.603 0 50 GCAA O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 25329285 QKQPYNHNRYKHOH-UHFFFAOYSA-N 397.497 0.160 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)NC3CCCCCC3)nn2)CN1 67921835 YCSZGLDKWUDGQI-HOTGVXAUSA-N 377.493 0.839 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCNC(=O)C1(C)C)CO2 71758750 ZYMWIAVXTIPXFK-AWEZNQCLSA-N 388.468 0.713 0 50 GCAA Cc1ncncc1C(=O)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72429928 DDEFFVAIEUMTAY-HNNXBMFYSA-N 385.472 0.766 0 50 GCAA CCN(C)CC(=O)N1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77438029 KQIWBZSAXYUYKY-UHFFFAOYSA-N 378.521 0.430 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cc3ccc4c(c3)OCO4)cc2C1 91574877 FYAMJZKEHRFSKO-UHFFFAOYSA-N 385.424 0.968 0 50 GCAA CN1C[C@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)NC1=O 91646110 SRNPLJKHBPQKEI-MRXNPFEDSA-N 385.468 0.836 0 50 GCAA O=C1CN(c2ccc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)cc2)C(=O)N1 91690198 CEPLLSDWORDWTJ-CQSZACIVSA-N 380.408 0.932 0 50 GCAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCOC[C@H](CO)C2)CC1 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DWKFSMRKGYJIBS-UHFFFAOYSA-N 377.836 0.742 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1-c1nccn1C 1704343788 NMXGVRRIEBOLQH-BBRMVZONSA-N 392.481 0.723 0 50 GCAA CCOCC(=O)N[C@@]1(C)CC2(CCN(C(=O)c3cc[nH]c3)CC2)OC[C@@H]1O 1772707418 ZNXSBFPAOSMQMP-YJBOKZPZSA-N 379.457 0.682 0 50 GCAA Cc1ccc(CN2C[C@H]3[C@H](NC(=O)c4cn[nH]c4)CS(=O)(=O)[C@H]3C2)s1 1857690873 PZALTDKZQHVBJM-ZNMIVQPWSA-N 380.495 0.807 0 50 GCAA Cn1cncc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857707815 KYMUIPINZQDJKA-HXUWFJFHSA-N 398.467 0.873 0 50 GCAA COc1nc2c(cc1CN1C[C@H]3[C@H](N)CS(=O)(=O)[C@H]3C1)C(=O)N(C(C)C)C2 1857708628 DFUXPXXOFGECFL-LZWOXQAQSA-N 394.497 0.011 0 50 GCAA CN[C@@H](C)C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857720595 AVYSPFUYJZZFNQ-ZDUSSCGKSA-N 375.473 0.433 0 50 GCAA Cn1cc(S(=O)(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cn1 1857732092 BPCGKUYDSRIKMR-JZXOWHBKSA-N 388.449 0.883 0 50 GCAA NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1875244072 LGAFBQSHQZVSDX-LTIDMASMSA-N 375.473 0.093 0 50 GCAA COC(=O)NCC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)Cc3cc(C)on3)C2)C1 1875322070 HOTNRUVELIQTDL-GJZGRUSLSA-N 392.456 0.969 0 50 GCAA N=S1(=O)CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)c3ccccc31)CCO2 1875395854 NRBAPNQRFPKRNF-YZAAIOAQSA-N 377.466 0.952 0 50 GCAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2cccc(N3CCCC3=O)c2)ncn1 2325786113 AZJYXFWPJSLEAZ-HZPDHXFCSA-N 396.451 0.555 0 50 GCAA CCOC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 892801 LZCOHSXIXHFECP-UHFFFAOYSA-N 385.380 0.249 0 50 GCAA biogenic CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 4855282 WGUZRLQBPJBRMH-CQSZACIVSA-N 377.466 0.772 0 50 GCAA COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(OC)cc3)nnc12 10969824 OYVHLNCTVCKRLD-UHFFFAOYSA-N 384.396 0.403 0 50 GCAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN2CCCC2)C1 12301591 CTSNRKHTCYUUOY-AWEZNQCLSA-N 386.460 0.124 0 50 GCAA O=C(c1cc2n(n1)CCN(c1cc(N3CCOCC3)ncn1)C2)N1CCCC1 65526973 MWNJDHYBMLWKIV-UHFFFAOYSA-N 383.456 0.766 0 50 GCAA 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CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 239235382 VWGAURLPXKOXOZ-YIYPIFLZSA-N 380.378 0.104 0 50 GCAA COC(=O)c1cn([C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)cc2c(=O)[nH]nc1-2 263587924 MWOPVPRZKHPNNA-ZDUSSCGKSA-N 380.364 0.706 0 50 GCAA NC(=O)Cn1cc(C[C@H]2NC(=O)N(Cc3cc(Cl)ccc3Cl)C2=O)nn1 275209381 ARFHYDSLNQUVEP-GFCCVEGCSA-N 397.222 0.733 0 50 GCAA CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCN(C4CCN(C)CC4)C3)ccc21 363338677 JQQDSXWZKSLPOJ-OAHLLOKOSA-N 399.495 0.608 0 50 GCAA Nc1nc(CCCNC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)cs1 426726697 FBSWPMZDGKMLOP-AWEZNQCLSA-N 381.502 1.081 0 50 GCAA CCc1ncc(S(=O)(=O)N2CCC(CNC(=O)c3cc(C)n(C)n3)CC2)[nH]1 952978002 DKDKFCDZAMGGBU-UHFFFAOYSA-N 394.501 0.845 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](N)[C@@H](O)C3)CC2)cc1 1857723015 SXFSCXOFJCOPTL-JQFCIGGWSA-N 397.497 0.016 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnc3ncnc(O)c3c2)c1 2325862993 PSCRYSDQIHUJBF-UHFFFAOYSA-N 395.379 0.980 0 50 GCAA 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Nc1nonc1C(=O)NCCNS(=O)(=O)c1ccc(Br)cc1 2881815 OVYNKYVDFGJOSW-UHFFFAOYSA-N 390.219 0.123 0 50 GCAA CC[C@@H]1C(c2ccccc2)=NN(CCO)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4576415 UZKKGOSTSPSBQE-CYBMUJFWSA-N 382.424 0.601 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)NCc1cnc(-c2ccccc2)s1 19229348 IKEMLCILKDHMBI-UHFFFAOYSA-N 399.480 0.945 0 50 GCAA O=C1NC(=O)[C@@](c2ccccn2)(C2CCN(C(=O)c3ccc[nH]c3=O)CC2)N1 67771771 NAVNFATXXQUAMB-IBGZPJMESA-N 381.392 0.357 0 50 GCAA O=C(N[C@@H]1CCN(C(=O)Cc2nc3ccccc3[nH]2)C[C@H]1O)c1cnccn1 77470482 ULUWUKQZJDYVGY-GDBMZVCRSA-N 380.408 0.287 0 50 GCAA O=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 91830591 RRBPJOKWJYHXCG-OAHLLOKOSA-N 376.457 0.541 0 50 GCAA Cn1c(=O)c2c(ncn2Cc2cn(-c3ccc(F)c(Cl)c3)nn2)n(C)c1=O 180990603 GXRDPVRQVNFWLF-UHFFFAOYSA-N 389.778 0.855 0 50 GCAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 223783203 UFFAICPIPLFBRO-CQSZACIVSA-N 379.482 0.220 0 50 GCAA NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 253432547 LCWRBOBBPSPQPU-AWEZNQCLSA-N 379.438 0.342 0 50 GCAA CC(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)C[C@@]3(CCc4ccccc43)C2=O)CC1 329688723 AYURFIJULSXWPJ-SPLOXXLWSA-N 383.448 0.709 0 50 GCAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2=O)c1OC 426647446 ZYWVZGHGGSWDMA-LJQANCHMSA-N 375.425 0.530 0 50 GCAA CNC(=O)COc1cccc(CC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1 428026155 XZYVVLRFYSXPDQ-BRUOUDFQSA-N 396.487 0.979 0 50 GCAA Cn1c(=O)c2c(ncn2CCN2CCC[C@@H](C(=O)c3ccccn3)C2)n(C)c1=O 1529192021 NPRJROJHRRAAEZ-CQSZACIVSA-N 396.451 0.424 0 50 GCAA C[C@@]1(O)CCOC2(CCN(C(=O)CCC(=O)Nc3nncs3)CC2)[C@H]1O 1704324659 CCJWYVDQGNZAEE-DZGCQCFKSA-N 384.458 0.150 0 50 GCAA CCn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCCn3cnc(C)c3C)C2)cn1 1857688473 LLLXMLNAZRTTJF-UYAOXDASSA-N 386.500 0.981 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(c4cnccn4)CC3)CC2=O)s1 1857697371 RTQDCDSUTDQLBY-LBPRGKRZSA-N 387.469 0.592 0 50 GCAA CN1C(=O)CCO[C@H]2CN(C(=O)C3CCN(C(=O)c4ccncc4)CC3)C[C@@H]21 1857701304 OOUYERLSIUROID-IRXDYDNUSA-N 386.452 0.392 0 50 GCAA CNC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)CC2 1875250388 UODYXQFJMOXUPS-ZDUSSCGKSA-N 385.399 0.893 0 50 GCAA O=C(NCCN1C(=O)CSC1=O)[C@@H](O)Cc1ccncc1Br 1875292676 PFBYLRUFCWKPOG-JTQLQIEISA-N 388.243 0.559 0 50 GCAA CC(=O)NCC12CC(C(=O)NCCCn3cccn3)(C1)C1(CCNCC1)O2 1875393343 KUACMJYBNUTZEV-UHFFFAOYSA-N 375.473 0.197 0 50 GCAA COC[C@]1(O)CCOC[C@@H]1NC(=O)CCc1ccccc1N1CCOCC1 2325770112 FBTUZPQJWQCVCL-AZUAARDMSA-N 378.469 0.738 0 50 GCAA CN1CCn2[nH]c(=NC(=O)C(=O)N[C@@H](CN)c3ccc4ccccc4c3)cc2C1 2325859901 PBJPSFVAAUYHIC-SFHVURJKSA-N 392.463 0.658 0 50 GCAA CO[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C2CC=CC2)CC1(C)C 2332237764 KQSDXZMCIKPSII-BZUAXINKSA-N 398.525 0.756 0 50 GCAA COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC 12577396 MTFZGSWBUWXBQT-OAHLLOKOSA-N 377.441 0.455 0 50 GCAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20601230 HPBNKBHZGYQERZ-MRXNPFEDSA-N 389.452 0.602 0 50 GCAA O=C(c1ccccc1O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72481632 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Cc1nc2c(c(=NCCO)[nH]1)CCC21CCN(c2ccc(C(N)=O)cn2)CC1 1857699751 XLHANRMETRDKHO-UHFFFAOYSA-N 382.468 0.589 0 50 GCAA Cn1ccc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)cc1=O 1857707598 FQKGUFZIBMJVJT-KBPBESRZSA-N 389.433 0.339 0 50 GCAA O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857721314 JOOLPNWIUYKQCU-WMZOPIPTSA-N 385.424 0.079 0 50 GCAA O=C([C@H]1CCc2ncnn2C1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 1857741522 WXVINWGKULIHPF-HNNXBMFYSA-N 396.517 0.106 0 50 GCAA CO[C@@H]1CN(c2ccnc(N3CCc4ccc(C(N)=O)cc4C3)n2)C[C@@H]1N(C)C 1875398572 WRYKZTYHQJLHJJ-ZWKOTPCHSA-N 396.495 0.903 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2cnn3ccccc23)ncn1 1875400503 BUOWBWJWAKNQLK-HZPDHXFCSA-N 395.467 0.489 0 50 GCAA COC[C@H](F)CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 2325769177 QXCZEJSDEZDEJJ-CQSZACIVSA-N 382.440 0.129 0 50 GCAA COCCn1nnc([C@H]2CN(Cc3cnc(N4CCCC4)s3)CCO2)n1 2356167428 OQLUUBAYTOHRTE-CQSZACIVSA-N 379.490 0.950 0 50 GCAA CCn1c(C2CCN(C(=O)c3cc(OC)nc(OC)n3)CC2)nn(C)c1=O 67712636 CAOZTXLLRAPDOL-UHFFFAOYSA-N 376.417 0.429 0 50 GCAA O=C(CCC(=O)N1C[C@H]2CN(CCO)C[C@@]2(C(=O)O)C1)c1ccc(F)cc1 97295006 FFIBTARRWIZWTR-AUUYWEPGSA-N 378.400 0.626 0 50 GCAA O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 222473176 MHBWZUFTOHTAKB-TYJKZOGGSA-N 380.404 0.713 0 50 GCAA C[C@@H](C(=O)Nc1ccccn1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 243914997 BLJYYDXGLDMQGM-HNNXBMFYSA-N 381.502 0.757 0 50 GCAA C[C@H](O)c1nnnn1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 253421163 QYBRFARKMKJHSH-NSHDSACASA-N 380.430 0.150 0 50 GCAA Cc1ccc([C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)N2CCOCC2)o1 253536331 NAANLSZOYZSVGR-CQSZACIVSA-N 376.413 0.348 0 50 GCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)C1=O 365984533 KCCUUYKFWHWXBI-SGTLLEGYSA-N 375.404 0.636 0 50 GCAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1cc(C(=O)O)ccc1F)C2 426606737 LIRZDVRHMYFMTA-UHFFFAOYSA-N 396.400 0.561 0 50 GCAA Cc1nnc(CNC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)o1 426658611 YSJJWCXQDUBCKG-QGZVFWFLSA-N 398.427 0.103 0 50 GCAA CO[C@@]12CC[C@@H](NC(=O)CN(C)C)C[C@@H]1N(C(=O)Cc1nonc1C)CC2 584885775 CZRBJISUBBNJIF-QIIPPGSGSA-N 379.461 0.137 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775981210 BKUQQHNGWNJVKY-FQEVSTJZSA-N 381.484 0.828 0 50 GCAA Cc1n[nH]c(C)c1C(=O)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(N)=O)C[C@@H]2C1 1857703613 PELWVYYTAAQWIM-IIDMSEBBSA-N 381.436 0.926 0 50 GCAA O=C(NCCn1ccnn1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857734609 WQXRYNSWPUELRK-AWEZNQCLSA-N 397.464 0.890 0 50 GCAA O=C(CN1C(=O)CCOc2ccccc21)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875403512 VQHPUDAKQJQSKQ-BFYDXBDKSA-N 384.436 0.955 0 50 GCAA Cc1nccc(N2CC[C@]3(C2)c2ncn(C)c2CCN3C(=O)c2cn(C)nn2)n1 2325776981 VDQPSOMAFZLQPD-IBGZPJMESA-N 393.455 0.451 0 50 GCAA COc1cccc([C@@H](C)NC(=O)c2cnc3nc(-c4nc(=O)o[nH]4)ccn23)n1 2325822130 FIYQHZGYKSFXHV-SECBINFHSA-N 381.352 0.967 0 50 GCAA COCCn1cc(C(=O)NC2CN(C(=O)[C@@]34CC[C@@H](OC)[C@@H]3CC4)C2)nn1 2325839554 XHEFZJLBVXKWRV-JOQOYGCGSA-N 377.445 0.070 0 50 GCAA O=C(c1cn2c(n1)CCNCC2)N1CCc2nc(-c3ccccc3)nn2CC1 2356162982 OERCBCYPRUPFLX-UHFFFAOYSA-N 377.452 0.986 0 50 GCAA CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1 4135564 FVOAAGUUXWDRAG-UHFFFAOYSA-N 386.431 0.373 0 50 GCAA biogenic CCOCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 12314298 JBISHKVOACHBBH-INIZCTEOSA-N 393.484 0.937 0 50 GCAA CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCOCC1 16648090 ABHJEZYQLDTOQO-UHFFFAOYSA-N 399.538 0.817 0 50 GCAA O=C1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CN1 91663194 PBWOGRJVYMFOFK-AWEZNQCLSA-N 385.468 0.548 0 50 GCAA COCC(=O)N1CCN(C)C[C@H]1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 95367065 RELZEOSYBJYRLJ-SFHVURJKSA-N 385.468 0.620 0 50 GCAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 95522724 IDPOJLRXEDBRJR-AWEZNQCLSA-N 383.470 0.592 0 50 GCAA O=C1CC[C@@H](c2cc(=O)n3nc(N4CCN(c5ccccc5)CC4)nc3[nH]2)N1 102592079 HETDZGRQYNYWTH-AWEZNQCLSA-N 379.424 0.695 0 50 GCAA COc1ccc(C)cc1NC(=O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 169772464 MBAKJKYVFDQNHN-UHFFFAOYSA-N 395.437 0.441 0 50 GCAA CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)ccc21 262564688 ZRWKBIRCZCZPJQ-OAHLLOKOSA-N 385.468 0.501 0 50 GCAA COc1ccc(CN2C[C@H](C(=O)N3CCO[C@@H](CC(=O)O)C3)CC2=O)cc1 262879322 YSEWPZLRMKNEMO-ZBFHGGJFSA-N 376.409 0.746 0 50 GCAA Cc1nccc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)CC2)n1 366156744 PNSVSCVMZUUVGH-VKJFTORMSA-N 388.472 0.443 0 50 GCAA COCCn1cnnc1CCNC(=O)N1CCC[C@H](C(=O)c2nccn2C)C1 534583365 PEMXUJUTEWQZQY-AWEZNQCLSA-N 389.460 0.505 0 50 GCAA O=S(=O)(N1CCCCC1)N1CCc2nnc(Cc3cccnc3)n2CC1 1506431710 WGRLZKDCZJEYRW-UHFFFAOYSA-N 376.486 0.853 0 50 GCAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC1)OCC2 1704339525 KWEFSCGYDIMXJU-ZBFHGGJFSA-N 376.453 0.817 0 50 GCAA CC[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3cn4cccnc4n3)CC(=O)N21 1857728522 FMXVLIMTUKZUIZ-DZKIICNBSA-N 396.451 0.459 0 50 GCAA Cc1cc(CC(=O)N2CCc3nc(C(=O)N4CCC[C@@H](O)C4)cn3CC2)on1 1875244829 WNBVCLCAFGKYDR-CQSZACIVSA-N 387.440 0.404 0 50 GCAA CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC)C2)cc1 2356167098 RUJJKXBRISZFGS-KSSFIOAISA-N 396.465 0.637 0 50 GCAA CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 6731585 OSVNJZIOUGMBKE-UHFFFAOYSA-N 389.318 0.777 0 50 GCAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)Cn2cnnn2)CC1=O 14748482 KETLKGBOXOSUPC-KRWDZBQOSA-N 386.456 0.585 0 50 GCAA COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)c(OC)c1 20018867 AYQVROSGZVSMQJ-AWEZNQCLSA-N 377.441 0.505 0 50 GCAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N[C@H]1CCS(=O)(=O)C1 40267586 XFFYOVNCZPNNRW-ZDUSSCGKSA-N 381.841 0.867 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1 71775520 PRJMRYIKVLRSDJ-HNNXBMFYSA-N 377.489 0.797 0 50 GCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccccn1)CC2 91326980 NUIIXAWEUSFNRJ-UHFFFAOYSA-N 375.454 0.754 0 50 GCAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 96162093 GNMXLEIOFLXMAM-UHFFFAOYSA-N 379.424 0.969 0 50 GCAA COCCn1nnnc1[C@@H]1CN(C(=O)c2cc(C)n3nc(C)cc3n2)CCO1 215629391 BGDYAWPMAYORHD-AWEZNQCLSA-N 386.416 0.193 0 50 GCAA C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCCNCC2)c1)c1nncn1C 215855423 LWRKFEWVCAPKTE-ZDUSSCGKSA-N 392.485 0.290 0 50 GCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)CN2CCCC2)C1 426490342 SAXAXIKUSQJKBP-INIZCTEOSA-N 376.505 0.449 0 50 GCAA COc1cccc(N2C[C@H](NC(=O)N[C@@H]3CCc4c(nnn4C)C3)CC2=O)c1 888093975 QUXRLGIJHYSXQU-CHWSQXEVSA-N 384.440 0.786 0 50 GCAA O=C1NC(=O)[C@H](CCC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)N1 952969353 AZGNOYMLGAUUSI-ZETCQYMHSA-N 392.363 0.194 0 50 GCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1704329663 XLEBWPJBTTUQJD-OLZOCXBDSA-N 380.828 0.969 0 50 GCAA C[C@@]1(O)[C@@](C)(O)[C@@H](N2CCN(Cc3ccccc3)CC2)O[C@](C)(CO)[C@]1(C)O 1848442264 XOSLXWLHQVUTQP-HGJUEJDCSA-N 394.512 0.165 0 50 GCAA O=C(C1CCC1)N1CCC(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857686294 POEISLVMPDPNPF-OXQOHEQNSA-N 377.485 0.515 0 50 GCAA O=C(c1cn(-c2ccccc2)nn1)N1CCC([C@H](O)CN2CCOCC2)CC1 1875248606 AEZLZARGQDIURH-LJQANCHMSA-N 385.468 0.813 0 50 GCAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCc2cncnc2CC1 1875261868 LLRDZOPNLJGCAH-UHFFFAOYSA-N 386.433 0.639 0 50 GCAA CCN(C)CC(=O)NC12CCC(CN=c3ncnc4[nH][nH]c(C)c3-4)(CC1)OC2 1875325919 FYENZUOXSZVJBL-UHFFFAOYSA-N 387.488 0.596 0 50 GCAA Cn1cc(Br)c(=O)c(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1 1875400539 CKHMXVNNCDKTNJ-ZLKJLUDKSA-N 395.257 0.914 0 50 GCAA Cc1cc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccn4cnnc34)C2)on1 1940197969 FCJBWLPWOUWEBY-APHBMKBZSA-N 398.423 0.602 0 50 GCAA C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCN1C(=O)c1cnn(C)c1 2325751497 ZCXQPEPEFSDHHE-DOTOQJQBSA-N 397.483 0.950 0 50 GCAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CC(N2CCOCC2)C1 2356142389 QARYFMUSSICACB-LDJQZATESA-N 396.491 0.861 0 50 GCAA CCc1nc(C)c(CC(=O)N2CCC[C@@]23CCCN(CCO)C3=O)c(O)n1 2356163418 ZZHDMFXCXHGXCW-LJQANCHMSA-N 376.457 0.571 0 50 GCAA O=C(CN1CCC[C@]12CCCN(CCO)C2=O)NCCc1ccc(F)cc1 2356164114 GAFHYWKOTUKSRL-FQEVSTJZSA-N 377.460 0.934 0 50 GCAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3cc(NCCO)ncn3)CC2)C1 71757288 LZMLIJFEGSTHBB-HNNXBMFYSA-N 388.516 0.840 0 50 GCAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)CC3)[C@H]4C2=O)c1 77420624 ZESMVEQTQPWRDO-ZBPHCFQXSA-N 395.459 0.626 0 50 GCAA O=C(NC[C@@H](O)CN1CCNCC1)c1ccc2nc(-c3ccccc3)cn2c1 82087540 LYWMZPCOENGFIE-GOSISDBHSA-N 379.464 0.997 0 50 GCAA O=C1CC[C@]2(CCCN(C(=O)Cn3cnnn3)C2)CN1CCc1ccccn1 91677611 JWTUEQNLXRSSEX-IBGZPJMESA-N 383.456 0.542 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)CCN3CCN(c4ccccc4)CC3)C2=O)cn1 174971489 UFMXKMKMIOOVHP-IBGZPJMESA-N 396.495 0.854 0 50 GCAA COc1ccc([C@@H](CC(=O)O)NC(=O)CN2CCCS2(=O)=O)cc1OC 262125067 LSHZVNOGIWVZSF-GFCCVEGCSA-N 386.426 0.371 0 50 GCAA COC(=O)c1cn([C@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)cc2c(=O)[nH]nc1-2 263587923 MWOPVPRZKHPNNA-CYBMUJFWSA-N 380.364 0.706 0 50 GCAA CN(c1ccn(C)n1)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 274964476 VMAGOMKNSIYYAY-LLVKDONJSA-N 378.410 0.683 0 50 GCAA CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](Cc2nnc3ccccn23)C1 373352727 GNUFVAFXERRXEJ-CYBMUJFWSA-N 379.486 0.838 0 50 GCAA CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1cnn(-c2ccccc2)n1 860854524 BULTZQLJIPZDSU-CYBMUJFWSA-N 380.430 0.049 0 50 GCAA COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@H](C)C(=O)OC)N2C(=O)OC(C)(C)C 863896540 XEMVNIKPAQPWRT-QNWJLWSRSA-N 384.429 0.851 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)Nc2cccc(-c4cnc[nH]4)c2)[C@@H]3C1=O 952983549 HCSGGLFAVBHVAD-LJCCNALRSA-N 381.436 0.980 0 50 GCAA Cn1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(C(C)(C)C)n1 1464193382 JFCXCQDMFMYTHC-UHFFFAOYSA-N 378.520 0.422 0 50 GCAA COc1cc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc(OC)c1O 1857673742 VRAVPYGYIPSZEW-ZOWXZIJZSA-N 384.454 0.209 0 50 GCAA Cc1ccc2[nH]nc(C(=O)NCC34CC(C(N)=O)(C3)C3(CCNCC3)O4)c2c1 1875394141 YWVRBXFWIPOOEQ-UHFFFAOYSA-N 383.452 0.758 0 50 GCAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CC[C@H](C(=O)NCCCO)C[C@@H]1O 2356158424 JXKYMATUZGAQBV-XIRDDKMYSA-N 380.489 0.114 0 50 GCAA CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc2c(c1)OCCO2 2838736 GTLJNMKNZIBMTB-UHFFFAOYSA-N 377.422 0.935 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)ccc3F)CN2C1=O 14537007 DKTGSDIUVZRTKG-CQDKDKBSSA-N 380.395 0.292 0 50 GCAA Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H]4CSCN4C(=O)[C@H]3C2)c1 14754272 MFWUFSRPCSRGEQ-KGLIPLIRSA-N 395.506 0.420 0 50 GCAA O=C(NCCCN1CCOCC1)c1cn(C[C@H]2COc3ccccc3O2)nn1 19224543 CEMOXVYSERCSSH-HNNXBMFYSA-N 387.440 0.570 0 50 GCAA Cn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C(C)(C)C)cn23)n(C)c1=O 20649735 LSXLNHXCLBZDIF-UHFFFAOYSA-N 388.472 0.316 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(OC)o2)CN1Cc1nc(C)no1 96132033 PXXNJNGOFGDDNN-RYUDHWBXSA-N 377.401 0.489 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(S)n2C[C@H](O)COc1ccc(Cl)cc1 100528707 NZAKNENBMNKYOA-VIFPVBQESA-N 382.829 0.805 0 50 GCAA C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)C1 253407685 ICJAFMYWLITWHL-QXAKKESOSA-N 388.512 0.321 0 50 GCAA Cc1cccc(OCC(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c1 299787495 MMKWEWRVDJEVKX-UHFFFAOYSA-N 378.454 0.662 0 50 GCAA O=C(CN1CCCCC1=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670454089 NGRWQMUBADDRSF-PDRFFQIWSA-N 382.508 0.683 0 50 GCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ncnc(C)c3C)CC2)C1 952985116 BUKIQFTYTBKXCL-MRXNPFEDSA-N 383.518 0.819 0 50 GCAA CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-c2cnco2)cc1 1772807536 YRFHSXCOHHBWIP-ZIAGYGMSSA-N 377.422 0.763 0 50 GCAA CN1CC[C@]2(C(=O)NCCc3nccs3)CCCN(S(C)(=O)=O)[C@H]2C1 1857691138 ZUCCMQHMVGKRTQ-XJKSGUPXSA-N 386.543 0.548 0 50 GCAA CC(C)N1CCN(C[C@@H](O)C2CCN(C(=O)c3csc(=N)[nH]3)CC2)CC1 1857739574 WAVNZAXRQRKARC-MRXNPFEDSA-N 381.546 0.795 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCc2cccnc2)C[C@@H]1O)c1ccc2c(c1)OCO2 1875245644 JYSXVOCITDRSFV-JYJNAYRXSA-N 383.404 0.996 0 50 GCAA Cc1ccn(C)c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCCOC[C@@H]1C 2332238005 UMSWVTROKOYFJA-RRFJBIMHSA-N 397.497 0.114 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CO)n2Cc1ccccc1Cl 637558 SGTIFNOUZGINCE-JTQLQIEISA-N 396.856 0.570 0 50 GCAA COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C(F)(F)F)c1 1461605 NTGIMUMGGGJCBL-LLVKDONJSA-N 389.330 0.922 0 50 GCAA Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NC[C@H]1CCCO1 4944004 GWJLLVBCFXHQQV-OAHLLOKOSA-N 398.481 0.690 0 50 GCAA CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccccc2C(N)=O)[nH]c1=O 10076935 LQBXYMUFUFGCRK-UHFFFAOYSA-N 377.382 0.264 0 50 GCAA C/C=C/Cn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C)cn23)n(C)c1=O 19200994 OIVBCRGQUAJADF-SNAWJCMRSA-N 386.456 0.366 0 50 GCAA CN(Cc1nncn1C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71721404 GDPCOKVILRNNDS-INIZCTEOSA-N 388.516 0.887 0 50 GCAA NCCn1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)nn1 72167584 WJKWOANFJQMGDE-QXAKKESOSA-N 382.468 0.645 0 50 GCAA CN(CCO)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)[nH]n2)C[C@@H]1CO 91574481 JNIBVUPKLFERSQ-ZIAGYGMSSA-N 376.432 0.820 0 50 GCAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3nn(C)c(=O)n3C1)CC2 91908358 RFQOYRSLQDTHLN-AWEZNQCLSA-N 375.473 0.395 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](N(C)C)[C@H](CCC(=O)O)C1 95352754 YKJLGYUURFJBOG-CJNGLKHVSA-N 397.497 0.900 0 50 GCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Nc1cccc(-n3nnnc3C)c1)CC2 96133126 HYPZNTMJHKMSTQ-UHFFFAOYSA-N 380.412 0.995 0 50 GCAA NC(=O)CN1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 173483320 LNLUOSZXDOEBLP-OAHLLOKOSA-N 382.411 0.886 0 50 GCAA COCc1noc(CNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n1 215391159 NRLVYXICMFGPSY-UHFFFAOYSA-N 380.426 0.931 0 50 GCAA Cn1cc([C@@H](NS(=O)(=O)c2ccc(NC(N)=O)cc2)[C@H]2C[C@@H](O)C2)cn1 244817138 SUVFKQDTEISGNI-ZBINZKHDSA-N 379.442 0.701 0 50 GCAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)C2)n1 328613567 SIXCSBTVMMZZGF-AWEZNQCLSA-N 383.817 0.961 0 50 GCAA Cc1nc(S(=O)(=O)N2CCN(Cc3ncnn3C(C)(C)C)CC2)cn1C 328688513 QAATWKSGFZEXOE-UHFFFAOYSA-N 381.506 0.582 0 50 GCAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc3c(c1)OCC(=O)N3)C2 426678125 PNGGHQIUMQZYRL-UHFFFAOYSA-N 383.408 0.896 0 50 GCAA COc1cc(C)nc(N2CCC(N3C(=O)N[C@H]4CN(C(C)=O)CC[C@@H]43)CC2)n1 888103347 DOKPAASKMKDBHD-HOTGVXAUSA-N 388.472 0.777 0 50 GCAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cncc(=O)[nH]2)N1CCCOc1cccnc1 1857683180 FFTXHOVYJRPCKA-HOTGVXAUSA-N 383.408 0.449 0 50 GCAA CS(=O)(=O)CCN1CCC2(CC1)CC(=O)N(Cc1cscn1)CCO2 1857683869 PDZLMNMBQQXNKF-UHFFFAOYSA-N 387.527 0.771 0 50 GCAA COC(=O)[C@H]1C[C@@H](n2cc([C@@H]3CCOC3)nn2)CN1C(=O)c1nocc1C 1875338347 UQGRRXRHYIHWGY-YRGRVCCFSA-N 375.385 0.707 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)N2CCC(O)CC2)CC[C@H]1NC(=O)c1cnn[nH]1 2100554869 DNJISEPYUKILSS-JGGQBBKZSA-N 379.461 0.482 0 50 GCAA O=C(NC[C@@H]1CCN1C(=O)COC1CCOCC1)c1nn[nH]c1C(F)(F)F 2325828013 WMQSIFHKDZZPPA-VIFPVBQESA-N 391.350 0.350 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)N[C@@H]4CC45CCC5)cc3C2=O)C(=O)N1 2325898253 YJTJGZUUOXYTPT-ZIAGYGMSSA-N 381.388 0.760 0 50 GCAA CCCN1C[C@H](NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1=O 67907925 LLWMOWGXLCJMGP-SECBINFHSA-N 387.483 0.381 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CN1C(=O)CSC 96166516 ARIBHUNPURIZLF-OCCSQVGLSA-N 379.486 0.292 0 50 GCAA Cc1nn(CC(N)=O)c(C)c1-c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 299788430 SJYGRMYOCACWJL-INIZCTEOSA-N 383.452 0.990 0 50 GCAA C[C@H]1CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C[C@@H](C)S1(=O)=O 329780581 MSLGHXQXHZHQHB-TXEJJXNPSA-N 378.516 0.225 0 50 GCAA COCCN1C[C@]2(CCCN(C(=O)NCCCc3nn[nH]n3)C2)CCC1=O 426604218 DLARZZFNMLGRTR-KRWDZBQOSA-N 379.465 0.193 0 50 GCAA COc1ccc(OC)c(CN2CCN(C(=O)[C@H]3CC[C@@H](O)[C@H](N)C3)CC2)c1 1857725888 RIKLCSJJYBIJHI-BMGDILEWSA-N 377.485 0.836 0 50 GCAA COCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)cc1 2100477278 ZFCTUSYBZJATMV-GJZGRUSLSA-N 381.454 0.186 0 50 GCAA O=C(NCCN1CCCS1(=O)=O)C(=O)NCc1ccc(Cl)cc1Cl 2325705787 YOQSCNINPWHHPN-UHFFFAOYSA-N 394.280 0.761 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 8778529 OCGHFKIBNCCGGX-UHFFFAOYSA-N 383.408 0.838 0 50 GCAA CCN1CC[C@@H](C(=O)N2CCn3nc(C(=O)NCc4ccccn4)cc3C2)C1 65395087 KRINVONJJCMAIM-OAHLLOKOSA-N 382.468 0.892 0 50 GCAA O=C([C@H]1CCCN(C2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1)N1CCCC1 71752072 HBNXDEAFPHWWJP-HNNXBMFYSA-N 389.500 0.362 0 50 GCAA COCCn1ccnc1[C@@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 95512672 QPLGJFKPHWGGMS-CQSZACIVSA-N 375.429 0.094 0 50 GCAA Cc1nc([C@H](C)NC(=O)Cn2nnnc2CN2CCc3ccccc3C2)n[nH]1 95526026 LJYZGIOGULJELF-LBPRGKRZSA-N 381.444 0.535 0 50 GCAA COCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 95529990 BGRNZNBKJPQEDX-UHFFFAOYSA-N 385.486 0.712 0 50 GCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1(N)CCCCCC1 237530148 KBLBQRXKXGZKFY-CYBMUJFWSA-N 385.534 0.872 0 50 GCAA Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)no1 239173731 OOCSVFGDGWZRIX-FDJUTITPSA-N 385.376 0.518 0 50 GCAA O=C(CN1CCOCC1)NC[C@@H]1CCCN(C(=O)c2cnc(C3CC3)nc2)C1 827836842 KYSPSKACACXBIO-HNNXBMFYSA-N 387.484 0.655 0 50 GCAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCO[C@]2(CCNC2)C1 1772812174 CZNPYUZFGBHVEY-LIRRHRJNSA-N 392.525 0.676 0 50 GCAA O=C(NN1C[C@@H](C(=O)O)CC1=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 1848442359 IKTUSWVSXXWTDF-AEGPPILISA-N 399.403 0.944 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)OC)CC2=O)s1 1857714934 TXILVAXQOYQHNQ-KZWBYHQPSA-N 378.454 0.721 0 50 GCAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)ccc1N1CCOCC1 1857721590 WXZFEXNELAOOEH-QYZOEREBSA-N 389.496 0.786 0 50 GCAA CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1875278240 KXZOOAYHIHUKTP-AGIUHOORSA-N 377.532 0.474 0 50 GCAA COc1cc(CN2CCc3nc(C(N)=O)cn3CC2)ccc1O[C@H](C)C(=O)O 1940197234 BKMXBYOPPOUCJL-GFCCVEGCSA-N 388.424 0.901 0 50 GCAA CN(C)[C@]1(C)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)C1 2325806792 GZVXSTIPMUXSSG-IFXJQAMLSA-N 383.456 0.772 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)NCc2cn3ccsc3n2)C[C@@H](C)O1 20779949 PTAXCLKFVFYVJL-TXEJJXNPSA-N 390.473 0.308 0 50 GCAA COc1ccccc1[C@@H]1CNC(=O)c2nc(CS(=O)(=O)N(C)C)[nH]c2C1 65370930 DBJNIQXTDAGDNJ-NSHDSACASA-N 378.454 0.879 0 50 GCAA CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2OCC(=O)O)NC(=O)N1 65409879 WWFQQENVVOUPOY-INIZCTEOSA-N 375.381 0.637 0 50 GCAA CC1CCC(NC(=O)CN2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)CC1 151528841 USCHDYYDERVPGU-UHFFFAOYSA-N 389.500 0.577 0 50 GCAA NS(=O)(=O)N1CCC(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 194694663 SIJIZFVXESJXLF-UHFFFAOYSA-N 398.504 0.822 0 50 GCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)C1 245253727 LVVKJVPIVOLVJJ-SDBXPKJASA-N 389.371 0.855 0 50 GCAA Cn1c(=O)n(C)c2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 253412934 SNVOMQPOHPCYTH-CQSZACIVSA-N 393.403 0.956 0 50 GCAA biogenic CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc3nc(O)c(O)nc3c2)C1 253536577 WMQZISGOENYIPV-JTQLQIEISA-N 380.426 0.442 0 50 GCAA Cc1cccc(Nc2nc(N)nc(CN3C[C@]4(C(=O)O)C[C@]4(C(=O)O)C3)n2)c1 1772700311 CEPLIWYIRYUIRH-HDICACEKSA-N 384.396 0.867 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N(C)Cc3nc(C)no3)CC2=O)s1 1857722763 NFLFOQVQDVMQAD-SNVBAGLBSA-N 380.430 0.778 0 50 GCAA C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccnc3ccnn23)C[C@H](C)O1 1875353128 KLFAXVIOEUGGFL-RYUDHWBXSA-N 382.446 0.290 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC[C@@]2(CNC(=O)CO2)C1 2100557147 OBGLXRHXDHQNFZ-OAQYLSRUSA-N 397.431 0.695 0 50 GCAA O=C1CC[C@@H](CCC(=O)NS(=O)(=O)c2ccc(Br)cn2)N1 2325851655 FULLTCPWJIZKGZ-VIFPVBQESA-N 376.232 0.708 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4C(=O)O)ccc3C2=O)C(=O)N1 2325896352 WTHYQAAATLCXKQ-HUUCEWRRSA-N 399.403 0.527 0 50 GCAA CC(F)(F)CNC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325897903 MEJLUCBUBPXLGY-NSHDSACASA-N 379.319 0.473 0 50 GCAA COc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)ccc1OCCN 2356145910 XLJZAOWJAHTTSW-RBUKOAKNSA-N 394.468 0.540 0 50 GCAA O=C(O)/C=C/C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 9060719 AIUPTZISCASUBW-SNAWJCMRSA-N 381.454 0.867 0 50 GCAA C[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 65361929 FEZPXNOEXXLPJA-CYBMUJFWSA-N 389.905 0.943 0 50 GCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CN1CCOC1=O)C2 72147804 XHUSERNSTYZQKJ-UHFFFAOYSA-N 382.424 0.942 0 50 GCAA Cc1ccc(-n2nc(C(=O)N3CCc4nc[nH]c4[C@@H]3C(=O)O)c(O)cc2=O)cc1 72476051 XGJWUPPNBYFETK-QGZVFWFLSA-N 395.375 0.794 0 50 GCAA Cc1nc(N(C)C)nc(N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)c1C 91563351 QVMASQZRTNQCFE-QZTJIDSGSA-N 377.533 0.908 0 50 GCAA O=C(CN1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)N1CCNCC1 91807840 IIMOKSUSLIWMFB-UHFFFAOYSA-N 385.512 0.718 0 50 GCAA O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCCn2cccn2)c1 95358698 AEBVCCVWYFATHA-HNNXBMFYSA-N 378.454 0.770 0 50 GCAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1 95359748 SSKXMZOHROOOJO-IRXDYDNUSA-N 379.482 0.408 0 50 GCAA CN1C[C@H](CN(C)S(=O)(=O)c2cccc(C(=O)NCC3CC3)c2)CC1=O 95371873 FWDHNIGASVPMTA-CQSZACIVSA-N 379.482 0.925 0 50 GCAA Cc1cnc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)cn1 215885138 XNECWVXKTBQHIB-CQSZACIVSA-N 375.454 0.355 0 50 GCAA CCCN(CC(=O)O)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 273388131 HJEANSCDXSQQMG-SFHVURJKSA-N 392.412 0.290 0 50 GCAA NCCOc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCCC1 426383155 STHJBMRTTLTNIL-UHFFFAOYSA-N 375.878 0.833 0 50 GCAA NC(=O)c1noc(CN2CCCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 1772701652 NLTGXKBUWANUTK-UHFFFAOYSA-N 387.396 0.288 0 50 GCAA CCCn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCN(C)CC3)CC[C@H]2O)c(C)n1 1857704407 QSTDYXZQFVPYCP-CGTJXYLNSA-N 391.516 0.635 0 50 GCAA N=c1ccnc(N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)[nH]1 1857710595 GGEWUGGOBYLUIA-LJQANCHMSA-N 383.456 0.706 0 50 GCAA CC(=O)c1c(C)nn(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1C 1857729337 XACLEUNINHQJOJ-ULQDDVLXSA-N 378.473 0.433 0 50 GCAA Cc1nc2cnn(C)c2cc1C(=O)N(C)CCc1cn(C2(C(=O)O)CC2)nn1 1875357078 ZLSNEUUTNPMCLF-UHFFFAOYSA-N 383.412 0.757 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCc2cscn2)C[C@H]1NS(=O)(=O)c1cn[nH]c1 2100539775 XZSPVFMZWOGJTA-ZLKJLUDKSA-N 399.498 0.645 0 50 GCAA CN(c1ccc(C(=O)N2CCC3(CC2)CNC(=O)CO3)cc1)S(C)(=O)=O 2356135223 ULRIBKMBJVBAFZ-UHFFFAOYSA-N 381.454 0.204 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 2356167317 XBOMTQFBAGOMFI-OAHLLOKOSA-N 396.407 0.691 0 50 GCAA C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 2009222 WDLWHQDACQUCJR-TZBKRISWSA-N 389.433 0.707 0 50 GCAA CCn1c(N2CCN(CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 4386765 WKTYMFURZHPQKG-UHFFFAOYSA-N 382.468 0.808 0 50 GCAA CCOC(=O)Cn1c(=O)c2c(nc3n(CC(C)C)c(C)c(C)n23)n(C)c1=O 10233658 YXNVWUGDXVFAJK-UHFFFAOYSA-N 375.429 0.985 0 50 GCAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 15062664 YXOJKERTIFHATC-MRXNPFEDSA-N 393.484 0.937 0 50 GCAA O=C(O)c1nn(CCO)c2c1CN(C(=O)c1scc3c1OCCO3)CC2 67692227 NMMCGGYKRRHQDB-UHFFFAOYSA-N 379.394 0.605 0 50 GCAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21 72474136 HYZGWDPRJQVOBN-LSDHHAIUSA-N 376.457 0.422 0 50 GCAA O=C1CCC2(CCN(S(=O)(=O)c3cn[nH]c3)CC2)CN1CCc1c[nH]cn1 91872462 HLGHTWJKCGKARI-UHFFFAOYSA-N 392.485 0.769 0 50 GCAA C[C@@H](CNC(=O)Cn1nnnc1CN1CCc2ccccc2C1)n1ccnc1 95529501 GPNXZTCKUILEMA-HNNXBMFYSA-N 380.456 0.805 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)Cc1cc(C)no1 96162700 AEULUOVWFDSXRD-ZBFHGGJFSA-N 376.457 0.890 0 50 GCAA COCCn1nnnc1[C@@H]1CN(C(=O)Cc2cnc3c(C)cccn23)CCO1 97259360 HYBBOBIWGDJGAP-HNNXBMFYSA-N 385.428 0.418 0 50 GCAA Cc1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc2c3c(c(=O)oc12)CCCC3 254499087 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GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCCN(c2nc3ccccc3o2)CC1 2356165107 TYDPXNTYWOAVAI-UHFFFAOYSA-N 379.384 0.879 0 50 GCAA COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 4763393 OSHAKAAYZUJSRF-OAHLLOKOSA-N 393.440 0.733 0 50 GCAA CN(C(=O)c1coc(COc2cccc(F)c2)n1)[C@@H]1CS(=O)(=O)C[C@H]1O 67713206 JDFBBAZJUBYSAT-ZIAGYGMSSA-N 384.385 0.623 0 50 GCAA CNC(=O)c1[nH]nc2c1CN(CCC(=O)Nc1nnc(C3CC3)s1)CC2 67921436 BAFRVVPGTKTFIM-UHFFFAOYSA-N 375.458 0.885 0 50 GCAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)Cn2nccn2)CC1 96131665 ITBFGVAPQCQSAH-UHFFFAOYSA-N 383.460 0.849 0 50 GCAA CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 216271883 KRZFGTDXBSDSTI-INIZCTEOSA-N 381.498 0.874 0 50 GCAA CCn1ncc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1C(=O)N1CCOCC1 239415436 UMBQYGUNYYKHTO-YIYPIFLZSA-N 392.412 0.192 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)Cc2cn3ccccc3n2)CC1 328631998 LCCYIGQYXSVGQA-UHFFFAOYSA-N 394.453 0.214 0 50 GCAA CN1Cc2ccccc2C[C@@H]1CNC(=O)N1CCCN(S(C)(=O)=O)CC1 426602315 ACFJLAKVMWOWPM-QGZVFWFLSA-N 380.514 0.720 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704324926 FKFXNKSLYZLMTE-QWHCGFSZSA-N 381.410 0.337 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)N3CCN(C)C4(CCOCC4)C3)CC2=O)s1 1857735225 NOUKEFUOHLBUPK-CYBMUJFWSA-N 379.486 0.523 0 50 GCAA Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)ccc21 1857736002 LGNWXJSXJOTGKF-GDZNZVCISA-N 393.465 0.662 0 50 GCAA C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C1CCN(c2nccnc2F)CC1 1875333892 OXGJWRCIMYWTRW-SNVBAGLBSA-N 397.432 0.891 0 50 GCAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCC(S(N)(=O)=O)CC3)cn12 2356142075 CGGOBYRXJPIBDV-AWEZNQCLSA-N 381.458 0.312 0 50 GCAA Cc1[nH]nc(CCC(=O)N[C@H]2C[C@H](C(=O)N3CCC(O)CC3)C[C@@H]2O)c1C 2356149012 FDIYUPKQWWIJDX-JQFCIGGWSA-N 378.473 0.198 0 50 GCAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@]34CCCN(CCO)C4=O)cc2)n1 2356155350 DAGHADIRGJRJJA-IBGZPJMESA-N 384.440 0.467 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356156867 UNJQQLTUHQJLPJ-HKUYNNGSSA-N 390.461 0.737 0 50 GCAA CCNc1nc(N2CCOCC2)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 1424734 PGROLJSRXMNGFW-CABCVRRESA-N 397.483 0.925 0 50 GCAA CS(=O)(=O)CCN1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 65396011 MEFUTENHUHICJX-UHFFFAOYSA-N 379.526 0.624 0 50 GCAA O=C(c1c[nH]c(=O)cn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 67788793 GNTJALRTKICBMN-OAHLLOKOSA-N 387.484 0.709 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3ncnc4[nH]cnc34)CC2)C1 71751655 OBCLEKHFLRQQEA-AWEZNQCLSA-N 387.488 0.796 0 50 GCAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 82126937 WOJCMZGVTBSROD-UHFFFAOYSA-N 378.816 0.846 0 50 GCAA O=C(c1ccc2c(c1)OCCO2)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91270074 SRZOCQNKRDWHPK-HZPDHXFCSA-N 376.453 0.861 0 50 GCAA COc1ccc(CN2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 91894860 VMECZSNPMUABOS-SJORKVTESA-N 382.482 0.762 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCC(c3nccn3CCOC)CC2)CC1=O 95499588 OXWSXLXDLQIHJY-INIZCTEOSA-N 378.473 0.730 0 50 GCAA CN1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CC1=O 95526594 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CCOCc1nnc(N2C[C@@H](C(=O)N(C)CCc3ncon3)CC2=O)s1 1857710356 SLWVHYVSESINIC-JTQLQIEISA-N 380.430 0.512 0 50 GCAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1noc3ccccc13)C2 1875396167 XVAKHMBXTDERFI-CYBMUJFWSA-N 391.449 0.474 0 50 GCAA CCC[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763678 MJIGDDNRVDYRCJ-AWEZNQCLSA-N 379.413 0.487 0 50 GCAA CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 22909973 NPFMGXZNYPENJB-UHFFFAOYSA-N 396.495 0.620 0 50 GCAA CN1CCN(c2ncccc2CNC(=O)[C@H]2Cc3ccccc3C(=O)N2)CC1 67742251 SDTCKHNBMRLXMY-GOSISDBHSA-N 379.464 0.804 0 50 GCAA O=C(O)CN1CCN(Cc2cc(F)ccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 77358010 OYUALMDTDMEKPX-UONOGXRCSA-N 376.837 0.847 0 50 GCAA Cc1nnc(SCC(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)o1 91746783 KZNROXKJGVASBJ-QGZVFWFLSA-N 384.502 0.792 0 50 GCAA CO[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccncn3)c2)C1 215134324 KSHWXSQGOYZORJ-HNNXBMFYSA-N 376.438 0.816 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 244794771 QTEQJERAHXNBLA-DTORHVGOSA-N 388.350 0.835 0 50 GCAA CCOc1cc(C(=O)N2CCO[C@H](CNC(C)=O)C2)ccc1OCC(=O)O 262345409 ALFFDNQGCXQMQS-CQSZACIVSA-N 380.397 0.526 0 50 GCAA Cc1cccc(=O)n1CCC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299768127 GJEWXVIOKIDXOY-CLWJZODNSA-N 376.453 0.562 0 50 GCAA CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)O)sc2C)CC1 324631998 GDJCQADJFDSVHP-UHFFFAOYSA-N 375.472 0.197 0 50 GCAA O=C(CCn1nnc2ccccc21)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 426632950 WJPSZZGVRNVEBS-IEBWSBKVSA-N 380.452 0.968 0 50 GCAA CNc1cc(N2CCC[C@H]2CNc2ccc(S(=O)(=O)NC)cn2)ncn1 462818253 VTZYPCDXMULFHZ-LBPRGKRZSA-N 377.474 0.902 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1O 1565514873 MZFAXAJPKAFYQN-KBPBESRZSA-N 399.448 0.207 0 50 GCAA CC(C)[C@H]1CN(CC(=O)N2CCc3ccccc32)C[C@@H]1NS(=O)(=O)N(C)C 1565515308 RYVWLMJXRYYKDP-SJORKVTESA-N 394.541 0.928 0 50 GCAA O=C(Cc1ccsc1)N1CCCN(C(=O)c2c[nH]nc2-n2cnnn2)CC1 1772706356 BUHKBJFGWBZKCM-UHFFFAOYSA-N 386.441 0.364 0 50 GCAA O=C(N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1)C1(CO)CCOCC1 1857721884 KHZPDNDMISFJBI-PXNSSMCTSA-N 381.444 0.729 0 50 GCAA CCNC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3nnc(CC)s3)C2)CC1 1857739189 LUHROMMSLTWKFM-LLVKDONJSA-N 394.501 0.764 0 50 GCAA NC(=O)C12CC(CNC(=O)c3cc(O)nc4ccccc34)(C1)OC21CCNCC1 1875393580 PEROUUSTAKQQBK-UHFFFAOYSA-N 396.447 0.827 0 50 GCAA CN(C)CCOc1ccc2c(=NC(=O)[C@H]3CCc4nn(C)c(=O)n4C3)[nH][nH]c2c1 2100547191 CXJYKIQXIUXCTP-LBPRGKRZSA-N 399.455 0.022 0 50 GCAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)c3nscc3Br)CO[C@H]12 2325865987 WZMXUXVDWOYXAG-OINDSLJFSA-N 376.232 0.306 0 50 GCAA COc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1 4867361 PBWXEARLSDEMHR-AWEZNQCLSA-N 393.465 0.852 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCNC(=O)C3(C)C)C2=O)c1 12836141 FSUGDBWZGGXYNV-HXUWFJFHSA-N 375.469 0.759 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3nnc4nc(C)cc(C)n34)C2)nn(C)c1=O 67934251 LCRAJSHWLGFDFX-CYBMUJFWSA-N 384.444 0.676 0 50 GCAA O=C(Cn1cnnn1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72162173 MIOWBKSACCSGMY-NIKGAXFTSA-N 382.424 0.491 0 50 GCAA CCCCN1CCN([C@H](C(=O)NCc2n[nH]c(N)n2)c2ccccc2)C(=O)C1=O 77357652 NDNFBXRIJOBORN-HNNXBMFYSA-N 399.455 0.215 0 50 GCAA CN1CCN(Cc2nc(C(N)=O)no2)C[C@@]12CCC(=O)N(CC1CC1)CC2 91679809 YGMZDQJTKDUOKV-SFHVURJKSA-N 376.461 0.077 0 50 GCAA Cn1c(CO)nnc1C1CCN(C(=O)Nc2cc(C(N)=O)ccc2F)CC1 95500030 ZHTKOPPYCPLIBD-UHFFFAOYSA-N 376.392 0.957 0 50 GCAA COC(=O)c1cn(-c2ccc(NS(C)(=O)=O)c(F)c2)cc2c(=O)[nH]nc1-2 253413237 UFJGQUGCAZDCNV-UHFFFAOYSA-N 380.357 0.963 0 50 GCAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1ccc2nc(O)nc(O)c2c1 275367164 WRHRNMKJNLCUCQ-SNVBAGLBSA-N 375.410 0.778 0 50 GCAA CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 487370974 ROBXAIJPMHYJNL-NWDGAFQWSA-N 399.469 0.688 0 50 GCAA C[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 780126269 PEPRQYHVEOEYCI-ZBFHGGJFSA-N 398.481 0.439 0 50 GCAA C=CC(=O)N(CC)CC(=O)N1CCn2ncc(I)c2C1 886198533 MLIXZAWHXVGZAA-UHFFFAOYSA-N 388.209 0.864 0 50 GCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952895596 XQLCPKGBHWCEGL-PBHICJAKSA-N 375.473 0.396 0 50 GCAA COc1cc(F)c(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1OC 1529155574 UNINASNQUCMQNO-GXTWGEPZSA-N 376.450 0.527 0 50 GCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCCN(C(=O)C2CCCCCC2)CC1 1772812747 PULXEMRFRBEFSS-KRWDZBQOSA-N 394.516 0.788 0 50 GCAA COCCN(C)C(=O)[C@@H]1C[C@@H]2CN(Cc3cnc[nH]3)CC(=O)N2[C@@H]1CC(C)C 1857691010 XSVZVAQUVYEAPH-KZNAEPCWSA-N 391.516 0.962 0 50 GCAA CC(C)c1nc(CN2C[C@H]3[C@H](NC(=O)c4cn[nH]c4)CS(=O)(=O)[C@H]3C2)co1 1857694599 FMLJTHMVDXLURH-ZNMIVQPWSA-N 393.469 0.549 0 50 GCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1875242215 NDYCRXFPVOVIJJ-CABCVRRESA-N 385.424 0.770 0 50 GCAA CC(C)(C(=O)O)c1cn(CCCCC(=O)NC[C@@]2(CO)CCCOC2)nn1 1875353986 NAXSZIIHJDXXLV-GOSISDBHSA-N 382.461 0.716 0 50 GCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C[C@H]1C(=O)O 2325897001 MAFBUIPMHAANMV-KMUNFCNLSA-N 399.403 0.240 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@H]1NC(=O)c1c[nH]c(=N)s1 2356166108 ORTUKJGXJZKMDV-CYZMBNFOSA-N 382.486 0.764 0 50 GCAA COc1ccc(OCc2nc(C(=O)N3CCN4CCNC(=O)[C@@H]4C3)co2)cc1 67688893 ZELOXGIGDWKSER-INIZCTEOSA-N 386.408 0.518 0 50 GCAA O=C(NCc1ccc(-n2cccn2)cc1)c1cn(CCN2CCNCC2)nn1 77304081 GBIGKILQQXVRJK-UHFFFAOYSA-N 380.456 0.299 0 50 GCAA NC(=O)Cn1ccnc1C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 96167171 GMCUCIMTMUPWBH-UHFFFAOYSA-N 394.439 0.293 0 50 GCAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)OCO3)C2 219266640 JKKJRZBFUCAMDI-HNNXBMFYSA-N 379.438 0.706 0 50 GCAA Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC[C@@H]3C(=O)O)CC2)c1 269124768 WYQIDKWHDCOXAO-MRXNPFEDSA-N 395.481 0.522 0 50 GCAA O=C(N1CC[C@H]2OCc3cnnn3[C@H]2C1)C1(N2CCOCC2)CCCCC1 299765610 OOEHAFMJVQHGST-DLBZAZTESA-N 375.473 0.985 0 50 GCAA Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)C2)c1 333965136 PRPUYIUNRPLNGB-BMFZPTHFSA-N 384.436 0.970 0 50 GCAA Cc1nnnn1[C@@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)c1ccccc1 426674299 OYWRLCJVGCLOQG-OAHLLOKOSA-N 376.384 0.462 0 50 GCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12 426716120 PSANNRSFGXMQQQ-NXEZZACHSA-N 392.359 0.598 0 50 GCAA CC(C)C[C@@H]1C(=O)NCCN1c1ncnc2c1ncn2C[C@]1(O)CCO[C@@H]1C 888097860 QTUHTWQXDQSNMR-PJIJBLCYSA-N 388.472 0.717 0 50 GCAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)C12C3C4C1C1C2C3C41C(=O)N[C@H]1C[C@@H](O)C1(C)C 1338960888 SAIDTZXUYVMLIB-AMPHMBRBSA-N 386.492 0.276 0 50 GCAA CN1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)CCO1 1875332516 WASUXLSMKPZQBR-CRAIPNDOSA-N 385.468 0.543 0 50 GCAA O=C1CC2(CN1)CN(C(=O)N[C@@H]1CCCN(c3ccc(F)cc3F)C1=O)C2 2325786485 PTJYNSUVGGOILI-CYBMUJFWSA-N 378.379 0.992 0 50 GCAA C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 3776970 WDLWHQDACQUCJR-ZAMMOSSLSA-N 389.433 0.707 0 50 GCAA fda CCN(CC)C(=O)Cn1cc(C(=O)NCCc2cn3ccsc3n2)nn1 12443627 KIYZEMUBQYXRQV-UHFFFAOYSA-N 375.458 0.828 0 50 GCAA CC(C)[C@@H](NC(=O)C(=O)N1CCc2ccccc21)c1nnc2n1CCNCC2 67884386 LYHVPIZUQQRWLT-QGZVFWFLSA-N 382.468 0.826 0 50 GCAA Cc1cc(C(=O)N2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 72422372 TWNAYTCRCVNATB-CVEARBPZSA-N 375.454 0.237 0 50 GCAA CN(C(=O)C[C@H]1COCCN1C(=O)Cc1ncccn1)C1CCSCC1 72453777 IAZNNMTVIMMHFY-HNNXBMFYSA-N 378.498 0.991 0 50 GCAA CCN1CCN(C(=O)c2cnn3c(C)cc(C)nc23)[C@H]2CS(=O)(=O)C[C@H]21 77519999 NIAPVMQDOUUMQF-CABCVRRESA-N 377.470 0.289 0 50 GCAA CN[C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 77524011 AXIYBAMZXLKDNA-WMLDXEAASA-N 395.525 0.979 0 50 GCAA COCCN1C[C@@]2(CCCN(C(=O)CN3CCCN(C)CC3)C2)CCC1=O 91693959 WRLVGHFNJFFJJV-FQEVSTJZSA-N 380.533 0.502 0 50 GCAA CCc1noc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)n1 95352712 VMYOCEMDCUIUNN-GFCCVEGCSA-N 380.426 0.629 0 50 GCAA CS(=O)(=O)N1C[C@H]2CN(CCCC(=O)c3ccccc3)C[C@@]2(C(=O)O)C1 96165308 PCMJZDVBTNEPGO-CRAIPNDOSA-N 380.466 0.928 0 50 GCAA Cc1ccc(C(=O)N2CCCN(S(=O)(=O)N3CCOCC3)CC2)cc1F 219173350 XXWKDDHBZHZSAS-UHFFFAOYSA-N 385.461 0.859 0 50 GCAA NC(=O)c1csc(S(=O)(=O)N[C@@H](Cc2ccncc2)C2CC(O)C2)c1 223357464 URDOUTNMNJPTJJ-UBHUBRDASA-N 381.479 0.903 0 50 GCAA COc1ccccc1C(=O)N1CCN(Cc2nnc([C@H]3C[C@@H](N)C3)n2C)CC1 244724087 MNHKXLBKCRCYHF-GASCZTMLSA-N 384.484 0.986 0 50 GCAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2OC(F)(F)F)CC(=O)N1 414334850 NURXZSBXJXCVRY-SSDOTTSWSA-N 382.316 0.792 0 50 GCAA Nc1nc(CCCNC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)cs1 670448895 LRMXFBAJHAHSOG-AWEZNQCLSA-N 386.543 0.673 0 50 GCAA CN(C)S(=O)(=O)CCCN1CCC(CNC(=O)[C@@]2(C)CCCO2)CC1 827660267 GMMCUEUYYFLPQD-QGZVFWFLSA-N 375.535 0.665 0 50 GCAA CS(=O)(=O)N(CC(=O)N1CCc2[nH]nc(C(=O)O)c2C1)c1cccc(F)c1 1857670170 XVSQOQPVBXKZLM-UHFFFAOYSA-N 396.400 0.598 0 50 GCAA Cn1cnc(C(=O)N2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)c1 1857708538 YTKYFKSAUPCFCO-FQEVSTJZSA-N 398.467 0.873 0 50 GCAA Cn1cc(C(=O)NCc2cc(Br)cc3c2OCC3)c(=O)n(C)c1=O 1875260663 NSYKPNLJNLXFBK-UHFFFAOYSA-N 394.225 0.711 0 50 GCAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCN2[C@H](CNS2(=O)=O)C1 1875310890 GFFXEDLOZFIODT-SECBINFHSA-N 379.364 0.211 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N[C@H]2C[C@@H](C(=O)OC)C2)cc1OC 2356165071 RRHHMFGZMGRKJS-AWBCAMRRSA-N 392.408 0.328 0 50 GCAA O=C([C@@H]1CCCCn2nnnc21)N1CCc2nc(-c3cccnc3)nn2CC1 2356167066 HGXAWFPNOVAPOV-CQSZACIVSA-N 379.428 0.679 0 50 GCAA COc1cccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 19804869 DVLLZRINHITLFZ-MRXNPFEDSA-N 389.433 0.764 0 50 GCAA C[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)c1ccn(C)n1)c1ccn(C)n1 20617608 JGXAFHSBFOUBKS-VXGBXAGGSA-N 384.444 0.869 0 50 GCAA COc1cccc(C(=O)N2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1O 77378595 NFSDMWMDDMHGDG-QWHCGFSZSA-N 397.453 0.006 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc[nH]c2=O)CN1Cc1cscn1 96139805 FODLERRXPPOUMK-FZMZJTMJSA-N 375.454 0.340 0 50 GCAA OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@H]1O 504656674 FSKMJUWPFLDDRS-TTYHPKGYSA-N 383.408 0.537 0 50 GCAA CC1(C(=O)N2NC(=O)C[C@]23CCCN(Cc2nnsc2Cl)C3)COC1 888103433 GZEKSLYTCSHDKI-HNNXBMFYSA-N 385.877 0.826 0 50 GCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)Cc1nnc(-c2ccccc2)o1 1565507400 SDNPLBKMPPUYGE-STQMWFEESA-N 380.426 0.690 0 50 GCAA CC(C)c1nc(CN2C[C@H]3CN(C(=O)CCn4cnnn4)C[C@]3(CO)C2)co1 1772814245 PQJFRNAFUXSHHW-KSSFIOAISA-N 389.460 0.128 0 50 GCAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1857722151 PRVQNQVTOKIVSK-GJZGRUSLSA-N 393.465 0.974 0 50 GCAA O=C(Cn1ccc(O)nc1=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857724418 CRAJDWWVCROUGP-MDOVXXIYSA-N 396.403 0.250 0 50 GCAA CCCNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)Cn2cnc3ccccc3c2=O)C1 1875251115 MZGXWCFUQLPTOU-IAOVAPTHSA-N 386.452 0.569 0 50 GCAA CNC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)C1 1875269250 PECVUHREBRVQDC-KFWWJZLASA-N 388.472 0.434 0 50 GCAA Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nn1CC(N)=O 2325841653 CBYHPTRIYJHXAK-UHFFFAOYSA-N 380.430 0.042 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)N4CCC(F)CC4)cc3C2=O)C(=O)N1 2325898076 RIXDEEAIFUYSRR-CQSZACIVSA-N 387.367 0.662 0 50 GCAA C[C@@H](OCC1CC1)C(=O)N[C@@H]1CC2(CN(C(=O)c3ccn(C)n3)C2)n2ccnc21 2332237686 HVCAFMWHXPCHDL-CZUORRHYSA-N 398.467 0.844 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 20997304 RYSRVFAIDWIRDQ-SFHVURJKSA-N 387.528 0.962 0 50 GCAA C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(C(N)=O)CC1 71376022 DQPZPTXULWHEPB-LBPRGKRZSA-N 383.470 0.574 0 50 GCAA O=C([C@H]1NCCc2[nH]cnc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 72428893 WLYLBIRZYDIBET-INIZCTEOSA-N 375.454 0.130 0 50 GCAA CN(CCc1ccccc1)Cc1cc2n(n1)CCN(C(=O)[C@@H]1CNC(=O)N1)C2 72473655 CBQNZNSPTXLSTJ-SFHVURJKSA-N 382.468 0.581 0 50 GCAA O=C(c1cc[nH]n1)N1CCc2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2C1 77379499 TYPSZVGJIZMTIV-AWEZNQCLSA-N 376.438 0.675 0 50 GCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3cccc(-n4cnnc4)c3)C2)cc1=O 77387285 SNZXIEWFQWKPCI-AWEZNQCLSA-N 379.424 0.617 0 50 GCAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@@H]13)O2)N1CCSCC1 77516615 AMXJVXOFFAXAJG-XLSPSMHOSA-N 391.537 0.830 0 50 GCAA O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC(Cn2ccnn2)CC1 164204275 OGBICUVZGAVHIJ-UHFFFAOYSA-N 399.503 0.312 0 50 GCAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 215902918 RSDHJKIUCHWIRT-CQSZACIVSA-N 375.425 0.620 0 50 GCAA COCCN1C[C@H]2CN(Cc3cnc(N4CCCC4)nc3)C[C@@]2(C(=O)O)C1 247822331 DLXAUPXCPDYIAQ-LPHOPBHVSA-N 375.473 0.542 0 50 GCAA C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1nnnn1C 252511137 ZUWPIMRDLVEFSH-LBPRGKRZSA-N 382.428 0.920 0 50 GCAA NS(=O)(=O)c1cccc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)c1 299772579 CHXURHGPBDZRGN-HNNXBMFYSA-N 382.486 0.645 0 50 GCAA COCCN1C[C@@]2(CCCN(C(=O)NCCCc3nn[nH]n3)C2)CCC1=O 426604219 DLARZZFNMLGRTR-QGZVFWFLSA-N 379.465 0.193 0 50 GCAA C[C@H](c1ccn(C)n1)n1nnnc1N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 1335976241 WQIXCFDGKRVSGC-YWVKMMECSA-N 393.395 0.428 0 50 GCAA COc1cc2c(cc1CNC(=O)N1CCN[C@@H]3CS(=O)(=O)C[C@@H]31)CCC2 1565512376 FVWVIPFHTVUDLF-CVEARBPZSA-N 379.482 0.464 0 50 GCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1c(C)cc(C)c2nonc12 1565528798 QTHOVMVFQQRLAN-QJZXMWHDSA-N 380.426 0.410 0 50 GCAA COc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc(OC)c1O 1704313419 MWXNQSLLEYAJRK-NWDGAFQWSA-N 388.442 0.046 0 50 GCAA O=C(Cc1cc[nH]n1)N1CC[C@@]2(C1)Cn1c(nnc1CN1CCCCC1)CO2 1857682315 IPRPCDZRYYQCJR-LJQANCHMSA-N 385.472 0.731 0 50 GCAA O=C(NC[C@@H](O)CO)c1cc2c(s1)C1(CCN(C(=O)C3CC3)CC1)OCC2 1857693841 OXYRUZYFDRVCKJ-CQSZACIVSA-N 394.493 0.632 0 50 GCAA Cc1cnc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3C(=O)c2nnc3n2CCCC3)cn1 1857713817 PBPXRTKDQNYQIC-JLJPHGGASA-N 395.467 0.880 0 50 GCAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cnc5ccccn5c4=O)[C@@H]2CC(=O)N13 1857716238 CVPQIXKHNOSTPL-MDOVXXIYSA-N 382.420 0.892 0 50 GCAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)N3CCC(C(N)=O)CC3)nc12 1875350387 KPZVKMKITIJCDK-UHFFFAOYSA-N 392.419 0.833 0 50 GCAA CN(C)C(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1Cl 2325790919 WQEAPNFIKIOZMR-GWCFXTLKSA-N 378.816 0.470 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCCn2ccnn2)CC[C@@H]1N=c1[nH]nc(C)o1 2356148627 IRTCVLJUSPYNSC-KKUMJFAQSA-N 377.449 0.584 0 50 GCAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)N1CCC(CN2CCOCC2)CC1 20211229 KMIWNDKYJLCPJM-IBGZPJMESA-N 392.544 0.714 0 50 GCAA COc1ccc(C(=O)N2CCN(C(C)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 72475822 PDDNSRVKTMCBFF-KGLIPLIRSA-N 386.857 0.819 0 50 GCAA Cn1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)c(=O)c2ccccc21 95368858 FAKNSOAXNOTTBJ-CQSZACIVSA-N 383.404 0.734 0 50 GCAA O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 100586877 PGYHHLNKTGLNSE-LAQRGFTBSA-N 380.448 0.647 0 50 GCAA Cc1cc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n[nH]1 154454437 XCCLPNNMFKBVQV-HNNXBMFYSA-N 385.472 0.672 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)CCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 219728787 QCXGKLYSSSVKNU-CVEARBPZSA-N 379.482 0.611 0 50 GCAA COC(=O)COCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 287265752 AAYOQVHLQYPCIC-LBPRGKRZSA-N 390.314 0.996 0 50 GCAA Nc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n[nH]1 299791389 FCHRTPSYMLFKJL-HNNXBMFYSA-N 390.488 0.071 0 50 GCAA NCCOc1ccc(F)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 426387332 UMTYXKDFKLTHND-CQSZACIVSA-N 379.432 0.874 0 50 GCAA Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CN1CCNCC1=O 430265480 FHMRGCSPMWVHRM-UHFFFAOYSA-N 376.482 0.554 0 50 GCAA O=C(NCc1nnnn1-c1ccccc1)[C@H]1CC(=O)N(Cc2cccnc2)C1 952992053 WASPVQYYFGTIHG-HNNXBMFYSA-N 377.408 0.722 0 50 GCAA COCCC(=O)N[C@]1(C)CCOC2(CCN(CCn3cnnc3C)CC2)[C@H]1O 1772804246 KEJRIMFHTBVQIP-ZWKOTPCHSA-N 395.504 0.114 0 50 GCAA O=C(c1cccc(O)n1)N1CC[C@]2(C1)Cn1c(nnc1Cn1cccn1)CO2 1857688644 UVFIUWMARNSUFB-SFHVURJKSA-N 381.396 0.439 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)NCCCn3c(C)cccc3=O)CC2=O)s1 1857711717 DIBXBTYHFDIBCA-CYBMUJFWSA-N 375.454 0.876 0 50 GCAA CN(C)S(=O)(=O)CCCN1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857712178 MKFRJSNAOZASAZ-ROUUACIJSA-N 388.505 0.695 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)c2ncccc2OCCN)[C@H]1c1cnn(C)c1 1857721604 XWDUVLRBXDXIOG-WMZOPIPTSA-N 388.472 0.297 0 50 GCAA O=C(CCc1ccccc1F)N[C@@H]1C[C@@H](C(=O)NCCOCCO)CC[C@H]1O 2100544667 DNPLYKOYOWNAFZ-CGTJXYLNSA-N 396.459 0.529 0 50 GCAA Cc1nc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3c(C)n[nH]c3C)C2)cs1 2100544821 KVBUCZOHFWTZQO-IACUBPJLSA-N 377.470 0.977 0 50 GCAA CNC(=O)c1cc(NC(=O)c2nnn([C@H]3CCOC3)c2C)cc(C(=O)NC)c1 2325872571 DQXYWHDOYDBYMA-AWEZNQCLSA-N 386.412 0.519 0 50 GCAA CC[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCN1 2325890768 QRCVKTAXJSPVKF-GOEBONIOSA-N 384.436 0.272 0 50 GCAA C[C@@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCNC1 2325896922 KMAKSTNTNIPYDI-MGPUTAFESA-N 384.436 0.177 0 50 GCAA Cn1c(=O)c2c(nc(N3CCC(C(N)=O)CC3)n2Cc2ccccc2)n(C)c1=O 634565 ZACLUOOWHLEVDQ-UHFFFAOYSA-N 396.451 0.184 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCCCN1CCCC1=O 12026968 YOSGGJLOFGUSCB-GOSISDBHSA-N 386.496 0.548 0 50 GCAA O=C1N[C@@H](CO)C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C[C@H]12 14748031 GRJHGDMBSIRFPN-ZWKOTPCHSA-N 379.416 0.497 0 50 GCAA Cc1cc(C)nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccnc2)n1 20449136 HTAOPWXYEXHNDW-KRWDZBQOSA-N 382.468 0.538 0 50 GCAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(n2cc(CCO)nn2)CC1 23398241 STQBWFZIYWLCPS-CQSZACIVSA-N 375.473 0.768 0 50 GCAA Cn1ncc(N2CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)cc1=O 23429899 UWKISDKJPPFQHV-KRWDZBQOSA-N 385.472 0.483 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCc1ncnn1C)CO2 71721482 GNSQJKJBMNZHNU-CQSZACIVSA-N 386.456 0.463 0 50 GCAA Cc1c(CN2CCN[C@H](C(=O)N3CCCC3)C2)c(=O)n(-c2ccccc2)n1C 72121070 HKQBDEKKXQBOPF-IBGZPJMESA-N 383.496 0.881 0 50 GCAA CCc1nc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)no1 91434570 PHHYGTYTANNCGH-UHFFFAOYSA-N 382.442 0.517 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3n[nH]c4c3CCCC4)cc2C1 91745679 LRWSRODDALYGKV-UHFFFAOYSA-N 392.485 0.580 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccnc(OC)c1)CC2 95523301 RORUTOJKZXTUFG-UHFFFAOYSA-N 399.451 0.976 0 50 GCAA CCn1c(O)nc(=O)c2c(C(=O)NC[C@@](C)(O)C(=O)O)cc(C(C)C)nc21 262522642 OBDLERDKIASIGV-QGZVFWFLSA-N 378.385 0.206 0 50 GCAA CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2Cl)CC1 273679523 KNRCICBWZTWKPB-UHFFFAOYSA-N 389.861 0.433 0 50 GCAA COc1cccc(-n2cc(C(=O)N3CCC[C@@H](S(=O)(=O)N(C)C)C3)nn2)c1 296313680 SWAKNBJFNOWCPW-OAHLLOKOSA-N 393.469 0.772 0 50 GCAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3c(CC)nn(C)c3CC)C2)n1 328613148 QWLPIEZKNAYHMN-MRXNPFEDSA-N 383.474 0.773 0 50 GCAA Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)nc2n(C)c1=O 329452106 LSXCFWVDIKFRJK-ZDUSSCGKSA-N 399.451 0.107 0 50 GCAA O=C(NCCc1nc(=O)o[nH]1)c1n[nH]c2ccc(I)cc12 447633360 YMLWTQPIJRKYSD-UHFFFAOYSA-N 399.148 0.816 0 50 GCAA COc1cc(C)c(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)cn1 584884102 YCMVGOFEFWWZGT-HZPDHXFCSA-N 376.434 0.953 0 50 GCAA CCCOc1ccccc1CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)NC 584897017 CIMZGSKTTKVKEE-HNNXBMFYSA-N 376.457 0.664 0 50 GCAA Cc1cnn(CCCN2C[C@H]3CN(C(=O)c4cnc(C)cn4)C[C@]3(CO)C2)c1 1772705850 BEHOKSUSDCGYPO-PXNSSMCTSA-N 384.484 0.747 0 50 GCAA CN1CCC(c2nnc3n2C[C@]2(CCN(C(=O)c4cnccn4)C2)OC3)CC1 1857687122 LSFLPIQEOGZFIY-LJQANCHMSA-N 383.456 0.692 0 50 GCAA COc1cc(CN2CCc3nc(C(N)=O)cn3CC2)ccc1O[C@@H](C)C(=O)O 1940197235 BKMXBYOPPOUCJL-LBPRGKRZSA-N 388.424 0.901 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCN(c3ccncc3)CC2)ncn1 2325785918 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O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1c[nH]nc1-n1cnnn1 91830780 VGENBSACBUNUSQ-ZDUSSCGKSA-N 376.384 0.774 0 50 GCAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cnc(Cn3cncn3)nc2O)C1 91907122 OCWDFZIAKJQKKN-LJQANCHMSA-N 380.408 0.864 0 50 GCAA O=c1[nH]cc(Cc2nc(COc3ccccc3Cl)nn2CCO)c(=O)[nH]1 96138593 FTNAAGKTGOWHPK-UHFFFAOYSA-N 377.788 0.470 0 50 GCAA COC(=O)[C@@]1(c2ccccc2)N[C@@H](CCn2cccn2)[C@H]2C(=O)N(C)C(=O)[C@H]21 248037030 NDGZGHAGMJVNOT-QOIOWGMHSA-N 382.420 0.545 0 50 GCAA COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@@H]1C(=O)O 261630457 JLEQFFBBZHODTM-LLVKDONJSA-N 377.440 0.727 0 50 GCAA Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 269280187 PPSWAUGKMXUEEY-CQSZACIVSA-N 397.501 0.772 0 50 GCAA Cn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)N2CCc3sccc3C2)cn1 279368108 WXUXOHYPIUQJGJ-OAHLLOKOSA-N 394.522 0.838 0 50 GCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1=O 291431074 JONJBEPWSARTQN-HXUWFJFHSA-N 399.451 0.277 0 50 GCAA CCOc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1OC 1704315606 LUDNMBFCWYTECP-KBPBESRZSA-N 386.470 0.730 0 50 GCAA O=C1C[C@H]2[C@H](CCN2C(=O)Cc2ccc(O)c(F)c2)N1CCCn1ccnn1 1800410347 QTMGZAFFUCGONU-HOTGVXAUSA-N 387.415 0.957 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857714529 CMIHMDOAYVEUGO-KEYYUXOJSA-N 379.482 0.624 0 50 GCAA O=C(CNC1CC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857716189 ARIPFVQRWAQEJF-UHFFFAOYSA-N 387.484 0.577 0 50 GCAA O=C(N[C@@H]1CC[C@H](C(=O)NCCCc2ccccn2)C[C@H]1O)c1cnc(O)[nH]1 1857732755 FJFFPGICSRFLDD-JGGQBBKZSA-N 387.440 0.519 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)Cc2cccc(OCCN)c2)CC[C@H]1O 1857737269 DTJWGMULLKHWQP-QUCCMNQESA-N 380.485 0.565 0 50 GCAA COC(=O)C1=C2C(=O)NCCN2C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1 2325809547 HRJGHRPPGVSVCQ-LLVKDONJSA-N 387.392 0.429 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2c[nH]c3ncnc(O)c23)c1 2325821892 KSSQIBQTVGIBQH-UHFFFAOYSA-N 383.368 0.913 0 50 GCAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C[C@@H]1O 2356138282 KYJQRJLRWPRJGG-LIRRHRJNSA-N 389.408 0.821 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 4196491 DXHMBYIHDHXTMJ-QGZVFWFLSA-N 387.461 0.794 0 50 GCAA COc1cc(CN2CCC(CO)CC2)ccc1OC[C@H](O)CN1CCOCC1 20452474 IIMDVNRUHHWRBZ-LJQANCHMSA-N 394.512 0.971 0 50 GCAA CC(=O)N1CCCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1 72408995 RATIBZMXZPTYSF-CQSZACIVSA-N 381.502 0.406 0 50 GCAA CCCCOCC(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72423166 BGXZWGGNKXEQSN-SJORKVTESA-N 381.498 0.708 0 50 GCAA O=C(NCCN1CCCC1)c1cccc(S(=O)(=O)N2CCCOCC2)c1 95360692 CVKHJWJXIJXNDE-UHFFFAOYSA-N 381.498 0.923 0 50 GCAA Cc1nccc(N2CCN(C(=O)CCc3c(C)nc4nc(N)nn4c3C)CC2)n1 184939548 RSRQQAQBQDYIQV-UHFFFAOYSA-N 395.471 0.703 0 50 GCAA C[C@@H]1CCCC[C@@H]1OCCN1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 262943442 NPZJHXNYPZMVMW-PMPSAXMXSA-N 392.518 0.629 0 50 GCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cccc3nonc23)C1=O 328608486 AOPAPGKVKAZXSW-GFCCVEGCSA-N 390.425 0.913 0 50 GCAA CCOCCO[C@H]1CCN(c2ncnc3c2ncn3C[C@@H](O)[C@H]2CCCO2)C1 888097194 DMUSGHVYVRREIE-ARFHVFGLSA-N 391.472 0.998 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C[C@@H]1O 1615963302 DZGMCLLKWKHMJX-DIFFPNOSSA-N 399.900 0.866 0 50 GCAA Cc1ccn2c(F)c(C(=O)N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)nc2c1 1615964452 MNVAAMSHXNLRCV-NEPJUHHUSA-N 384.433 0.106 0 50 GCAA CCOCC(=O)N1C[C@H]2CN(C(=O)CNc3ccc(F)cc3)C[C@]2(CO)C1 1772702862 JFIBMOPSUPXVIX-AUUYWEPGSA-N 379.432 0.553 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CN3CCOc4ccccc4C3)C[C@@H]12 1857684320 IOXVBIPCFGSXCI-JZXOWHBKSA-N 393.509 0.067 0 50 GCAA Cc1nc[nH]c1-c1nnc2n1C[C@@]1(CCN(C(=O)c3cc(C)n(C)n3)C1)OC2 1857684644 WLFCBTUINFWCEY-SFHVURJKSA-N 382.428 0.834 0 50 GCAA NCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N3CCC[C@@H]3CO)sc12 1857685340 RUGPXDRXMDKURQ-CQSZACIVSA-N 393.509 0.694 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 1857693531 AVQZUMHYMQVDMA-GNNTXSLPSA-N 377.466 0.899 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)N3C[C@@H]4CC[C@H](C3)[C@H]4N)CC2=O)s1 1857714444 ALHNAQVRDQOMDQ-OXIQGZBJSA-N 379.486 0.623 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)CNC(=O)c2ccccc2)[C@H]1c1cnn(C)c1 1857724499 YNVYKMKZHMGWRJ-HKUYNNGSSA-N 385.468 0.680 0 50 GCAA O=C(NC[C@@H](O)CNC(=O)C1(O)CCSCC1)c1ccnc2ccsc12 1875347419 ONZSELVYKKHIAT-LLVKDONJSA-N 395.506 0.761 0 50 GCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3[nH]ccn4ccnc34)C2)c1C 1875397563 DZFXYDNPMSBDKH-CQSZACIVSA-N 380.456 0.951 0 50 GCAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1S(=O)(=O)N1CCN(C)CC1 1875397695 KNCSIMXIAJGACS-UONOGXRCSA-N 384.506 0.269 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@H](C(=O)O)C4)ccc3C2=O)C(=O)N1 2325896128 RSXZPLLQWCIUFQ-DOMZBBRYSA-N 399.403 0.384 0 50 GCAA COc1cccc(C(=O)N[C@@H]2CC3(CN(C(=O)[C@H]4CCOC4)C3)n3ccnc32)n1 2332237891 PYDIEFIBXRFYBI-DZGCQCFKSA-N 397.435 0.736 0 50 GCAA CC(=O)N[C@@H]1C(=O)N=C(S[C@H](C)C(=O)Nc2cccc(Cl)c2)NC1=O 1117465 MUJSPIPYVOBUSS-SSDOTTSWSA-N 382.829 0.917 0 50 GCAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 12314299 JBISHKVOACHBBH-MRXNPFEDSA-N 393.484 0.937 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCCN(C)CC4)cc3)nn2)CN1 67689273 KIGWFTLAPHFGTI-MOPGFXCFSA-N 397.527 0.732 0 50 GCAA CCN1CCN(C(=O)[C@@H]2C[C@@H](c3cccc(OC)c3)NS(=O)(=O)N2C)CC1 71375897 JPSUCJLHIPHTPX-IRXDYDNUSA-N 396.513 0.439 0 50 GCAA CCc1ncc(CN2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72418526 ZSMQZKASVUVJPY-JKSUJKDBSA-N 380.514 0.895 0 50 GCAA O=C(C1CC1)N1CCN(C(=O)CCc2ccc(O)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72419515 KEQXNHQRCPOAJQ-DLBZAZTESA-N 392.477 0.571 0 50 GCAA CCn1ccnc1CN1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72421901 OFDRGCZDUCIUGO-SJORKVTESA-N 375.498 0.781 0 50 GCAA CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)N1CCCC1 170045473 WVQWJFCPSLLATR-MRXNPFEDSA-N 379.482 0.502 0 50 GCAA NC(=O)Cn1cc(C[C@@H]2NC(=O)N(Cc3c(F)cccc3Cl)C2=O)nn1 275258281 HOQCZRIHZFKHIS-LBPRGKRZSA-N 380.767 0.219 0 50 GCAA CC(C)Nc1ncc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cn1 299768448 JLBNUNBAHQCJAY-UHFFFAOYSA-N 379.490 0.558 0 50 GCAA COCCN1C(=O)C[C@H](CNc2ccnc(N(C)C)n2)[C@H]1c1cnn(C)c1C 425265253 UIJXEHNDVKDZAQ-KDOFPFPSSA-N 387.488 1.233 0 50 GCAA COCCn1cnnc1[C@H](C)NC(=O)N1CCN(Cc2nccn2C)CC1 426491147 XELQFNXDWOGKAH-AWEZNQCLSA-N 376.465 0.246 0 50 GCAA CN1C[C@@]2(CCN(C(=O)NC3CCN(Cc4cccnc4)CC3)C2)OCC1=O 426634146 HPFSURWRJDUGEQ-HXUWFJFHSA-N 387.484 0.689 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ccccc1=O 426746077 KHMXHGSYVVWHFC-GOSISDBHSA-N 382.464 0.745 0 50 GCAA CN(Cc1cnc2ccccc2n1)C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 584888359 KNXDXKWYZXGCPY-WBMJQRKESA-N 382.424 0.213 0 50 GCAA O=C(CSc1ccccn1)N1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1565514586 AWGFREBCYVBUID-KGLIPLIRSA-N 395.506 0.420 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O 1616078252 LHZCLOIZLBBFNN-NEPJUHHUSA-N 378.397 0.692 0 50 GCAA O=C(N[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCn3cncc3C1)CC2)[C@@H]1[C@H]2COC[C@H]21 1775991708 MHZUAJXDFLRIEW-TZZQWLEDSA-N 384.480 0.978 0 50 GCAA CC(C)(CO)CNC(=O)c1cc2c(s1)CCOC21CCN(C(=O)CO)CC1 1857705466 IYFATUCKDMKJKS-UHFFFAOYSA-N 396.509 0.879 0 50 GCAA CN1CCO[C@H](C(=O)NC[C@]2(C)CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1875332020 KEPFEHJTIZIABC-PXNSSMCTSA-N 385.468 0.862 0 50 GCAA CO[C@@H]1CN(c2ccnc(N3CCc4c(cccc4C(N)=O)C3)n2)C[C@@H]1N(C)C 1875398487 SCGVMHOZCYMATK-ZWKOTPCHSA-N 396.495 0.903 0 50 GCAA COC(=O)c1cccc(C(=O)N2CCC[C@H](CNS(=O)(=O)N(C)C)C2)c1 12076158 UCEWRDQGUDBUMY-CYBMUJFWSA-N 383.470 0.721 0 50 GCAA COc1ccccc1-n1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cn1 20997160 BLFKQQCXSSCRGY-IEBWSBKVSA-N 399.495 0.704 0 50 GCAA Nc1ncnc2c1c(I)cn2[C@H]1C[C@H](O)[C@@H](CO)O1 34517286 LIIIRHQRQZIIRT-XLPZGREQSA-N 376.154 0.259 0 50 GCAA in-vitro CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@H]1CC(=O)NC1(CO)CC1 67540988 ANJBTBSBHTZXDL-OAHLLOKOSA-N 389.452 0.387 0 50 GCAA Cc1ccccc1N1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1=O 82137016 PXIFPSOZAJSQMW-OAHLLOKOSA-N 379.482 0.289 0 50 GCAA COCCN(C)CC(=O)N1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 95364468 MDEVSYYQRANZTC-HXUWFJFHSA-N 380.533 0.500 0 50 GCAA CN(C)C1=NC2(CCN(C(=O)[C@H]3CCN(c4ccccc4)C3=O)CC2)C(=O)N1 95527035 OXEBBQSXSSVWKE-OAHLLOKOSA-N 383.452 0.448 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NCCn3ccnc3)c2)n[nH]1 97179332 NOONMLMXRNNZPP-UHFFFAOYSA-N 388.453 0.823 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCCN1CCCC[C@H]1CO 97757971 LJLJVMNEGDTAAQ-INIZCTEOSA-N 376.505 0.113 0 50 GCAA CCOCC1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 170613348 UCJJDNHXARPOHP-UHFFFAOYSA-N 382.548 0.736 0 50 GCAA O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@H]2CC[C@@H](C1)N2 215430159 ZHDYHHKVCPVWFV-CVEARBPZSA-N 379.482 0.674 0 50 GCAA CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)Nc1ccc(F)cc1 241161350 KABGTVYIOWBKOU-DOMZBBRYSA-N 385.461 0.778 0 50 GCAA CNc1cc([C@H]2C[C@@H](NC(=O)COc3ccc(-n4cnnn4)cc3)C2)ncn1 244723915 MJZRFNPQASASFR-BETUJISGSA-N 380.412 0.935 0 50 GCAA C[C@H](C(=O)N1CCCN(C(=O)c2n[nH]c(O)n2)CC1)N(C)C1CCCCC1 1529180676 HXOFVAMSOYPUSZ-CYBMUJFWSA-N 378.477 0.838 0 50 GCAA COCCN1C(=O)C[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1857692891 YVERUZGZXDGHDM-HOTGVXAUSA-N 393.465 0.582 0 50 GCAA COC(=O)[C@@H]1C[C@H](OC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CN1C 1875344820 NIVMVWJBDHZVCR-AAEUAGOBSA-N 388.380 0.235 0 50 GCAA C[C@@H](CC(=O)N(C)CCNC(=O)C(C)(C)CN1CCOCC1)n1ccnc1 2325793655 BYZVAJDYIFABOS-INIZCTEOSA-N 379.505 0.767 0 50 GCAA CCOC(=O)Cn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 2346080 BWMZUJAMXKLYIV-LBPRGKRZSA-N 377.445 0.371 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4387820 UASUVKWEXXVNLY-UONOGXRCSA-N 386.495 0.391 0 50 GCAA Cc1ccc(C(=O)N2CCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]3C2)cc1F 14536264 LPBBGGDLNQQBEL-JKSUJKDBSA-N 376.432 0.415 0 50 GCAA C[C@H](NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N2C1)c1ccccc1 14752806 WSOORZRUCMQFDQ-HJWJTTGWSA-N 387.484 0.644 0 50 GCAA Cc1cc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc(N)n1 71714532 SSFRSYBKAOGRAH-MRXNPFEDSA-N 388.516 0.907 0 50 GCAA CNC(=O)CN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71754784 YPMMWJSMARTFKJ-GOSISDBHSA-N 387.528 0.962 0 50 GCAA CNC(=O)CN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71774519 RQVFKONDAFNZNW-SFHVURJKSA-N 387.528 0.962 0 50 GCAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cnccn1)CC2 77377462 JFXYQORLULLJOJ-CYBMUJFWSA-N 390.465 0.724 0 50 GCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 91680072 DNNQUVABRATJJA-CQSZACIVSA-N 385.468 0.609 0 50 GCAA CCCN1C[C@H]2CN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C[C@@]2(C(=O)O)C1 216095541 HARNZUFINUALOR-JXFKEZNVSA-N 398.467 0.768 0 50 GCAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(OC)nc3OC)CC[C@@H]21 216945556 RJCCWJVFXGNMLM-HIFRSBDPSA-N 376.457 0.771 0 50 GCAA C[C@H]1CN(c2nc3c(c(N4CC(=O)N(C)[C@H](C)C4)n2)SCC3)CC(=O)N1C 286519109 RLRGRKSPAVIJBC-NEPJUHHUSA-N 390.513 0.459 0 50 GCAA CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCOCC(F)(F)C1)C(F)(F)F 377529789 IJOPZFMUVHXAGL-MRVPVSSYSA-N 383.339 0.486 0 50 GCAA O=C(C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)N1CCN(C(=O)N2CCCC2)CC1 1328285171 BSRYZWYQGJUGNJ-HZPDHXFCSA-N 378.473 0.231 0 50 GCAA CC(C)C(=O)Nc1cccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704297300 LQNLYIRFXAQCEL-HOCLYGCPSA-N 397.497 0.917 0 50 GCAA O=C(Cn1cc2ccccc2n1)N1C[C@H]2CN(Cc3cncnc3)C[C@]2(CO)C1 1772808754 ZXHIYDJDTVGHPK-WIYYLYMNSA-N 392.463 0.779 0 50 GCAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1S(C)(=O)=O 1857711406 XQGBTSKNWCTURK-LSDHHAIUSA-N 395.481 0.416 0 50 GCAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC[C@H](S(C)(=O)=O)C1 1875326814 NOEWERQOJKIMOS-TUAOUCFPSA-N 392.474 0.574 0 50 GCAA CC1(C)C[C@@H](CNC(=O)c2cnnc(O)c2)N(C(=O)c2ccc3nn[nH]c3n2)C1 1875361438 SDPJNPJLJQKMHG-NSHDSACASA-N 396.411 0.519 0 50 GCAA Cc1cc2ncc(C(=O)N(C)CC(=O)NC3CN(c4ccncc4)C3)c(C)n2n1 2325802102 HTEXENYJOXTQFQ-UHFFFAOYSA-N 393.451 0.818 0 50 GCAA O=C(NC1Cc2ccccc2C1)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC1(F)F 2332237991 TWICEXCPSUAWNS-RBSFLKMASA-N 398.431 0.455 0 50 GCAA COC(=O)/C(C(C)=O)=C1/SCn2c(nc3c2c(=O)n(C)c(=O)n3C)S1 2531995 HVSQMFLZPCHCCB-GHXNOFRVSA-N 382.423 0.204 0 50 GCAA COc1ccccc1OCc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)no1 67712792 OYNZSAQBPMOHGV-CHWSQXEVSA-N 382.394 0.150 0 50 GCAA CN(C)C(=O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71750693 OERHKYVAHHRIGD-KRWDZBQOSA-N 387.528 0.962 0 50 GCAA CCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 72151160 FMWMZANVPBUKNG-MRXNPFEDSA-N 388.447 0.834 0 50 GCAA O=C1CN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)CCN1 77428423 QRNLLXOUJIZRHD-REGYPHIPSA-N 385.395 0.066 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2c[nH]nc2-c2cccc(F)c2)C1 91997722 BFTMNXBJTJSFAN-CYBMUJFWSA-N 382.417 0.606 0 50 GCAA COCC(=O)N1CCCN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 97076800 GBWQRJUVNFZHEI-UHFFFAOYSA-N 375.429 0.590 0 50 GCAA Nc1nc(CCC(=O)N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)cs1 216613613 BQWHEKVUWSGJDL-KBPBESRZSA-N 375.454 0.445 0 50 GCAA COCCCS(=O)(=O)NCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O 225550720 IDKNXPVWHUIIRD-AWEZNQCLSA-N 386.470 0.692 0 50 GCAA CCOCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 248097260 DDAWMCJFCAYPCP-WBVHZDCISA-N 381.498 0.778 0 50 GCAA Cc1cccc([C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N2CCOCC2)c1 263263479 UHDVEUWQQSSXEY-HKUYNNGSSA-N 376.501 0.584 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C(C)C)no3)C2)cc1 328609973 GGGRODFPLKWTIN-QGZVFWFLSA-N 394.453 0.835 0 50 GCAA CCn1cc(CN2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)c(C)n1 1565525491 HRFCMSPPHUQNHE-CVEARBPZSA-N 376.486 0.489 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)CCc2ccc(F)cc2F)C[C@@H]1O 1616067736 CEYPJMHIUONXSI-DOMZBBRYSA-N 376.425 0.608 0 50 GCAA CN(C)C[C@]12CN(C(=O)CCS(C)(=O)=O)C[C@H]1CN(C(=O)C1CCC1)C2 1772708952 LZDQTMXYOMFUTN-MAUKXSAKSA-N 385.530 0.070 0 50 GCAA Cc1cc(CC(=O)N[C@@H]2CN(c3ccc(-c4nccn4C)nn3)CC[C@@H]2O)on1 1857730897 BLDVMDPGQZPBQJ-CVEARBPZSA-N 397.439 0.472 0 50 GCAA O=C(c1cn(-c2ccccc2)nn1)N1CCC([C@@H](O)CN2CCOCC2)CC1 1875248605 AEZLZARGQDIURH-IBGZPJMESA-N 385.468 0.813 0 50 GCAA Nc1ncccc1CN1CCc2nc(C(=O)N3C[C@H]4[C@@H](O)C[C@H]4C3)cn2CC1 1875249351 WZCGRSXTERNUNK-UXLLHSPISA-N 382.468 0.371 0 50 GCAA COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[S@](=O)CC1 1875302622 ZEOMASOTXKJGAM-KARRYYGYSA-N 376.475 0.812 0 50 GCAA O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)N[C@]1(c2ncc[nH]2)CCOC1 1875391893 BDAFZFKODHPIFP-YVEFUNNKSA-N 377.422 0.767 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCCc2nnc3n2CCCC3)ncn1 1875398343 MCIIXQMGORDGBE-HUUCEWRRSA-N 386.504 0.560 0 50 GCAA Cc1cc(=NC(=O)N2CCO[C@@H](CNS(C)(=O)=O)C2)[nH]n1[C@@H](C)C1CC1 2325828472 ICZJLBFJAZLIAK-JSGCOSHPSA-N 385.490 0.366 0 50 GCAA COc1cc2[nH]c(=O)c(CN3CCS(=O)(=O)CC3)cc2c(OC)c1OC 67697414 LLFTZZRULSXEDA-UHFFFAOYSA-N 382.438 0.784 0 50 GCAA NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)NCc2ccccc2)CC1 71757045 GEVCKMKDVFBNMI-UHFFFAOYSA-N 380.514 0.827 0 50 GCAA CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCc5ccncc5)C(=O)[C@@H]24)O3)CC1 77343441 NJTFTFVIMDSIDJ-UGNRZPKXSA-N 382.464 0.180 0 50 GCAA COc1cc(C)ccc1CN1CCN(CCC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]21 91350534 ZQIPKHPRPFNTBG-CVEARBPZSA-N 382.482 0.762 0 50 GCAA O=C(c1c[nH]nc1-n1cnnn1)N1CCn2nc(Cc3ccccc3)cc2C1 96137635 AZNINUFSFDYQCU-UHFFFAOYSA-N 375.396 0.829 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 97823293 YEGDGPFHDBJMGS-MRXNPFEDSA-N 378.454 0.322 0 50 GCAA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 223783263 UFFAICPIPLFBRO-AWEZNQCLSA-N 379.482 0.220 0 50 GCAA COc1ncc(CN2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)cn1 247828332 GRIDTVTYUVWWAC-CVEARBPZSA-N 377.445 0.213 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 253407695 KBUUEAOZQONUSS-AWEZNQCLSA-N 388.405 0.413 0 50 GCAA biogenic O=C(CCSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273129766 AWGNJTGXAAJNLY-UHFFFAOYSA-N 399.473 0.959 0 50 GCAA CC1CCN([C@@H](C)C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 299755947 FKRDHOHNOXDOFY-AWEZNQCLSA-N 383.518 0.395 0 50 GCAA CC(=O)NCc1cc(O[C@H]2CCN(CC(=O)NCc3cccnc3)C2)ccn1 886071969 JSMWDFQFDQVKMY-IBGZPJMESA-N 383.452 0.882 0 50 GCAA CN(C)C(=O)CN1CC[C@H](NC(=O)CCSCc2ccccc2)[C@@H](O)C1 1565511330 KJVKGPMKHYCLQD-IRXDYDNUSA-N 379.526 0.950 0 50 GCAA CN1CC2(CCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)CC2)OCC1=O 1772808902 FAZKGOZNYWAIIN-OKILXGFUSA-N 376.461 0.184 0 50 GCAA O=C(c1cnccn1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857710250 NRUOIABAJBKLOQ-UHFFFAOYSA-N 396.451 0.929 0 50 GCAA COCCC(=O)N1CCc2nc(C(=O)N3CCC[C@@H](N(C)C)CC3)cn2CC1 1875243987 HOASFCBQJMJAPQ-MRXNPFEDSA-N 391.516 0.861 0 50 GCAA NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(c3cccc(O)c3)C1)CC2 1875250524 JHIYSGHGXVEFNQ-GFCCVEGCSA-N 383.408 0.125 0 50 GCAA Cc1ccc([C@@H](C)NC(=O)CN2CCn3ncc(S(N)(=O)=O)c3C2)cc1C 1875289191 XQCXSSZVHVJDMP-CQSZACIVSA-N 391.497 0.840 0 50 GCAA CS(=O)(=O)c1coc(C(=O)NC2CN(C(=O)C3(C(F)(F)F)CC3)C2)c1 2325828926 VTAVPHHWIBNKQT-UHFFFAOYSA-N 380.344 0.966 0 50 GCAA N[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2nc(CCc3ccccc3)nn2CC1 2356163644 MBPDSRLDBZFXOE-KRWDZBQOSA-N 379.468 0.741 0 50 GCAA Cc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)nn1C 2732308 WTMHTLCBUVZQKF-AWEZNQCLSA-N 394.501 0.488 0 50 GCAA Cc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 9089250 YGESDDVSUILQRB-UHFFFAOYSA-N 384.421 0.991 0 50 GCAA O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(CCCc2ccccc2)CC3)N1 12197380 HMWWQXWRABAJEN-KRWDZBQOSA-N 396.495 0.664 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(CN(C)C)o3)CC2)cc1 71754024 UZZYUBGYTBMMHA-UHFFFAOYSA-N 393.469 0.586 0 50 GCAA CN1C[C@@]2(CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)OC1=O 95364287 JXAUEEUTMLZMII-QGZVFWFLSA-N 379.438 0.794 0 50 GCAA Cn1ccnc1CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 95365473 AWOXXBUGDMWFIK-QGZVFWFLSA-N 382.468 0.508 0 50 GCAA COC(=O)[C@@H](NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccn(C)n1 170605745 YPHYXPOPCXOVNV-HNNXBMFYSA-N 386.408 0.908 0 50 GCAA CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)[C@H](C)C(=O)N(C)C 170617526 HDVXWRKNXZCOOT-SECBINFHSA-N 381.451 0.342 0 50 GCAA COc1ccc(C(=O)CCC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)cc1 207598267 VSCIWQQQDLSGIX-ICSRJNTNSA-N 389.496 0.867 0 50 GCAA Cn1cnc(S(=O)(=O)NCC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 261843726 QVSJAJOEJVSDDC-AWEZNQCLSA-N 397.888 0.525 0 50 GCAA Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC[C@H]3C(=O)O)CC2)c1 262927998 WYQIDKWHDCOXAO-INIZCTEOSA-N 395.481 0.522 0 50 GCAA Cc1nc(C)c(C(=O)N(CC(=O)O)C2CCN(S(C)(=O)=O)CC2)s1 328652704 WQLPEVPNKOGHOT-UHFFFAOYSA-N 375.472 0.711 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 426371205 SIDMAFFJURVKML-MRXNPFEDSA-N 381.502 0.039 0 50 GCAA CN(C)C(=O)CN1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2O)CC1 499973094 NRSOFLUFHCMMRH-UHFFFAOYSA-N 389.431 0.999 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)CC1=O 952978821 ZVEXEOAKIAZBAM-INIZCTEOSA-N 377.441 0.743 0 50 GCAA Oc1cc(N2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)ncn1 1857708341 PANWMRXCZXYCRW-IBGZPJMESA-N 384.440 0.999 0 50 GCAA Cc1ccccc1S(=O)(=O)NCC[C@@H]1COCCN1CC(=O)N1CCCC1 1857727255 OBCMZTWCYSVEJZ-QGZVFWFLSA-N 395.525 0.987 0 50 GCAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)cc1C(N)=O 1875259121 FJUVYTLMEKALPF-UHFFFAOYSA-N 393.421 0.317 0 50 GCAA Cn1c2c(c(O)nc1=O)N[C@]1(CC(c3ccc(C(F)(F)F)cc3)=NN1)C(=O)N2 1875321002 QJDXDACCXLXVBD-HNNXBMFYSA-N 394.313 0.963 0 50 GCAA COCCN1CCC[C@@]2(CCCN2C(=O)CCn2c(C)cc(C)nc2=O)C1=O 2356151075 QBOSXBUYNKFMMH-HXUWFJFHSA-N 390.484 0.880 0 50 GCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4ccc(N5CC(=O)NC5=O)cc4)C[C@@H]13)O2 2356157022 AROYJLPFSBANID-JJDSTIRJSA-N 398.463 0.924 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOC(C)C)cc1OC 15073736 MBKMAVLIBYVBDY-INIZCTEOSA-N 393.484 0.936 0 50 GCAA CCOC(=O)N1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1 15076205 XOSHZMJNJUONOG-UHFFFAOYSA-N 379.465 0.350 0 50 GCAA COC(CN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1)OC 20451527 NQIISIOUMNGZFB-UXHICEINSA-N 375.513 0.960 0 50 GCAA CC(=O)N[C@@H]1CCN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)C1 71763252 GSGSVMSVTOKNBJ-OAHLLOKOSA-N 380.452 0.603 0 50 GCAA CC(=O)N1CCN(C(=O)c2cn3c(C)cccc3n2)[C@H]2CS(=O)(=O)C[C@H]21 72447824 TTYRMQXWWRHSFK-CABCVRRESA-N 376.438 0.113 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)cc1 219570013 GXHLXLYXSDSCEH-UHFFFAOYSA-N 381.498 0.645 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cc1 219721930 IEJNKAFOXYEDDZ-HUUCEWRRSA-N 377.422 0.695 0 50 GCAA CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O 328612399 ORXLTSFYVJWHMV-CYBMUJFWSA-N 394.501 0.752 0 50 GCAA Cc1c([C@@H]2[C@@H](C(=O)N(C)Cc3cnc(N(C)C)nc3)CC(=O)N2C)cnn1C 329968250 WAAUJKNJQWSYRA-YOEHRIQHSA-N 385.472 0.763 0 50 GCAA Cc1cnc(C)c(N2CCN(C(=O)NCCSc3nncn3C)CC2)n1 426359522 JYBWRDCVINCYLG-UHFFFAOYSA-N 376.490 0.846 0 50 GCAA Cn1nccc1CCC(=O)N1CCC[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 827928422 UGGCJBWIPXXIME-OAHLLOKOSA-N 385.468 0.720 0 50 GCAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCn3c(cnc3C(F)(F)F)C2)C1 903512090 JZMOFVZWXPAJME-SECBINFHSA-N 382.364 0.759 0 50 GCAA CN(C)C[C@@]12CN(C(=O)Cc3ccccn3)C[C@H]1CN(C(=O)c1ccnn1C)C2 1772702929 BFFZOOCBTXTQQP-KKSFZXQISA-N 396.495 0.520 0 50 GCAA CC[C@@H]1[C@H](C(=O)N2CCOCC2)C[C@@H]2CN(Cc3cnn(C)c3C)CC(=O)N21 1857695962 GKHTWRBPJMQVBP-KZNAEPCWSA-N 389.500 0.399 0 50 GCAA Cc1cnc(N2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)nc1N(C)C 1857725306 PKUWDRFOZCLJIB-QCBUCWTNSA-N 388.516 0.513 0 50 GCAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1cn(C)nn1 1875312421 BPTBASCFEGSKQC-UHFFFAOYSA-N 388.833 0.541 0 50 GCAA O=C(O)[C@@H]1CCC[C@@H]1C(=O)N(Cc1cn(C[C@@H]2COCCO2)nn1)CC1CC1 1875353910 KMYJAHXWNNMWCX-IXDOHACOSA-N 392.456 0.933 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1[nH]nc(C(F)(F)F)c1C)C2 1875395577 FNRCIXNFFJIVTC-QMMMGPOBSA-N 394.375 0.112 0 50 GCAA COC(=O)c1cc(OC)cc(C(=O)N[C@H]2C[C@H](C(=O)N3CCCC3)C[C@@H]2O)c1 1940194757 MSOAIRWGPJCPBA-JQFCIGGWSA-N 390.436 0.974 0 50 GCAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nc(=N)[nH]c3[nH]cnc13)C[C@H]2O 2100544890 AETLJAXSBUJCDC-RDNQGFKOSA-N 393.451 0.482 0 50 GCAA N=c1[nH]nc(CNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)s1 2356142795 IJMFDFSTUCZAFZ-QAMHXRKUSA-N 384.465 0.899 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1c[nH]nc1-c1cccc(F)c1 2356146534 KCVURUQHXYQHPM-SWLSCSKDSA-N 396.444 0.852 0 50 GCAA N=c1[nH]nc(CCNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)s1 2356162182 AVXIGVVNZODSLB-MVBJNABHSA-N 398.492 0.941 0 50 GCAA CC(C)OC[C@@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C 629410 UXZOZEGMVHTWOK-NSHDSACASA-N 377.401 0.414 0 50 GCAA biogenic O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H]1O 16662549 AKQXPEKSBPJGCT-HOTGVXAUSA-N 398.462 0.019 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C(=O)O)n3)CC2)cc1 20614989 YFKGOWVZAVGFLA-UHFFFAOYSA-N 392.437 0.423 0 50 GCAA O=C1CN(Cc2cn(C[C@@H]3CCCN(C4CCSCC4)C3)nn2)CCN1 23478540 JMPJNAUGLOECMA-OAHLLOKOSA-N 378.546 0.818 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CCOCC4)cc3)nn2)CN1 67880284 DCLAYZSCBZTECO-ROUUACIJSA-N 384.484 0.816 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCC(N)=O)[C@H]4C2=O)c1 77505194 YZOVDXGNJYZRRN-DKXUYOFUSA-N 399.447 0.311 0 50 GCAA Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=N[C@@H]1c1ccc(F)cc1)C(=O)NN2 198650519 IUEWAGVJRJORLA-JKSUJKDBSA-N 380.358 0.608 0 50 GCAA in-vitro Cc1cc(C)n(CCNS(=O)(=O)c2cccc(C(=O)NCCF)c2)c(=O)n1 215913865 ZXRMBOGDWOPVCB-UHFFFAOYSA-N 396.444 0.538 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)C1=O 220427371 WQRNKYSDBYWGBK-MQBCKMQZSA-N 387.436 0.880 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3nnc(-c4ccccc4)o3)C[C@H]2C1 247539881 RWMHHWPMSBZJBU-YJBOKZPZSA-N 392.481 0.955 0 50 GCAA O=C(CN1CCOCC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 270840230 VIOCSKOGSSSNKG-UHFFFAOYSA-N 381.498 0.536 0 50 GCAA CNC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(F)cc2C)o1 299783069 UQEOLDNEVPAAOH-UHFFFAOYSA-N 383.401 0.681 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2coc(-c4ccccc4)n2)[C@@H]3C1=O 670468233 FPZKIPSDUFUYKT-OPOADAIRSA-N 396.447 0.923 0 50 GCAA CN(C)CC(C)(C)CN1CCN(Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565507159 AFJVABHRWSHUQZ-ZWKOTPCHSA-N 380.558 0.953 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(C(=O)c2cc3ccccc3s2)C[C@@H]1O 1565508372 OZVRSLZQIUZQDK-STQMWFEESA-N 383.495 0.873 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCn1cnc2ccccc21 1704327370 DAQOEQMWGKDSEX-DZGCQCFKSA-N 380.470 0.449 0 50 GCAA CCOc1ncccc1C(=O)N1CCC[C@@]2(C(=O)NCCO)CCN(C)C[C@H]12 1775982405 UMRJDODAKMNKRF-OXJNMPFZSA-N 390.484 0.515 0 50 GCAA O=C(c1cn2c(n1)CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCc2nocc2C1 1875243468 ICQAIXDYPZLNRV-CYBMUJFWSA-N 385.424 0.491 0 50 GCAA CN1CCOC[C@@H]1C(=O)NCc1cnc2c(c1)CN(C(=O)c1cccn1C)CC2 1875245459 AQKTYSXAUVBARM-LJQANCHMSA-N 397.479 0.565 0 50 GCAA NS(=O)(=O)c1cnn2c1CN(C(=O)c1oc(C3CC3)nc1C(F)F)CC2 1875288924 LLPBNOVZQIWLEI-UHFFFAOYSA-N 387.368 0.990 0 50 GCAA c1cc(=N[C@@H]2CO[C@H]3COC[C@@H]23)c2[nH]c(=N[C@H]3CO[C@@H]4COC[C@@H]43)ccc2[nH]1 1875299345 IISAMTIBYCKWHP-YUZRJEJSSA-N 384.436 0.125 0 50 GCAA Cc1cc(CO)oc1C(=O)N[C@@H](CNC(=O)C1(C(N)=O)CCC1)C(C)(C)C 1875347412 OJTXESUAGHFNKT-ZDUSSCGKSA-N 379.457 0.997 0 50 GCAA COc1cnc(C(=O)N[C@H]2CN(c3ccnc(N(C)C)n3)C[C@H]2OC)c(F)c1 1875401261 HCYRVUQCPOLVTA-UONOGXRCSA-N 390.419 0.719 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@@H]4CNC[C@@H]4C3)OCC(=O)N2C2CC2)cc1 2100548034 SWKBAXIWYJZHSB-ITKAJJHTSA-N 385.464 0.804 0 50 GCAA CCC1(C(=O)N[C@@H]2CCC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)CCOCC1 2325878091 DMGMQXLRLJPEMR-ZIAGYGMSSA-N 394.472 0.289 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CN(C3CCOCC3)C[C@@H]2[C@H]1C(=O)NCc1ccccn1 2356145038 YDZAAYZHUCEUIW-MZGCJMJGSA-N 389.496 0.413 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)cc1 2804307 CGDSTUAIINKKTG-UHFFFAOYSA-N 398.510 0.732 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnn(C)c2)cc1 14952080 TUNVLRSUBPQUCY-GOSISDBHSA-N 385.468 0.826 0 50 GCAA COc1cc(OC)c(OC)cc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 23358790 XYYYCCKIJOGRCK-IAGOWNOFSA-N 379.501 0.895 0 50 GCAA O=C1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)CCN1 71747240 QISBHKRUZHJBFN-MRXNPFEDSA-N 376.501 0.448 0 50 GCAA CC(C)N1CCC(NC(=O)CN2CCCC[C@H]2CCNS(C)(=O)=O)CC1 114455428 ONXMPSVZBXPCDF-KRWDZBQOSA-N 388.578 0.769 0 50 GCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299781267 OHKAPZHYUABERD-NFBUACBFSA-N 377.485 0.984 0 50 GCAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2Br)CC(=O)N1 387391137 ZSILNRVIELOPDO-SSDOTTSWSA-N 377.216 0.656 0 50 GCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CN1CCN(c3ncccn3)CC1)CC2 426407681 QJOFKUGJZZPKAE-TXPKVOOTSA-N 375.473 0.130 0 50 GCAA CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H](c1cccnc1)N1CCOCC1)C2 426668176 ARMKVAZSNLNFGR-IBGZPJMESA-N 398.467 0.330 0 50 GCAA Cn1c(Sc2nc3c(c(O)nc(=O)n3C)n2C)nnc1C1CCNCC1 534655538 KMMOTIVMWFDQHK-UHFFFAOYSA-N 376.446 0.119 0 50 GCAA CC(C)C(=O)NCCN(C)c1ncnc2c1ncn2C1CC(CO)(CO)C1 888097819 PZUNLNZPTKHRKX-UHFFFAOYSA-N 376.461 0.341 0 50 GCAA O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)NCc1noc(-c2ccco2)n1 1506403621 QIXDZWAJZBDPAX-UHFFFAOYSA-N 395.379 0.798 0 50 GCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(c3nc(C)cnc3C)CC2)C1 1506411012 WCHOZXSDAYIGDF-MRXNPFEDSA-N 383.518 0.819 0 50 GCAA COc1ccc2cc1OCc1cn(nn1)CCCC(=O)N1CCN(CC1)C2=O 1704317283 GYNMPHQYEDPDJK-UHFFFAOYSA-N 385.424 0.944 0 50 GCAA O=C(NN1C[C@H](C(=O)O)CC1=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 1848442360 IKTUSWVSXXWTDF-BPLDGKMQSA-N 399.403 0.944 0 50 GCAA CN(C)CC(=O)NCC[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)nn1C 1857672250 FBGFUGQSUOSVCM-KRWDZBQOSA-N 399.495 0.996 0 50 GCAA CC(C)NC(=O)N1C[C@H]2[C@H](NC(=O)Cc3ccsc3)CS(=O)(=O)[C@H]2C1 1857684555 SKNXIRAEMLQJSR-MJBXVCDLSA-N 385.511 0.622 0 50 GCAA CN(C)C(=O)[C@@H]1C[C@@H]2CN(S(=O)(=O)C3CC3)CC(=O)N2[C@@H]1c1ccccc1 1857687514 VGBYBFMIOKJCKH-QGPMSJSTSA-N 391.493 0.841 0 50 GCAA COCCN=c1[nH]c2cc(C(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)ccc2n1C 1857720859 NSFVPGVBVBCOPZ-BPUTZDHNSA-N 387.484 0.645 0 50 GCAA Nc1cccc(C(=O)N2C[C@H](NC(=O)Cn3nccn3)CC23CCOCC3)c1N 1875330452 YCEHDJXDRKIGBG-CYBMUJFWSA-N 399.455 0.023 0 50 GCAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc(CN2CCOCC2)cn1 1875401489 ZUNYZYPNYYMYDM-QXAKKESOSA-N 385.468 0.680 0 50 GCAA C[C@H]1CN(C(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C[C@@H](C)O1 2325887749 SKKDYDGMXUVASX-OZVIIMIRSA-N 385.420 0.697 0 50 GCAA COC1CCN(C(=O)[C@H]2CC[C@H](NC(=O)c3cncnc3O)[C@@H](O)C2)CC1 2356143638 QOZACCAZNIRLTE-CQDKDKBSSA-N 378.429 0.079 0 50 GCAA CCn1nccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 6635170 VBZRGHCAAUSNCU-KGLIPLIRSA-N 394.501 0.915 0 50 GCAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccccn1)CC2 11975729 RKCVLJSKCJSZBM-MRXNPFEDSA-N 378.502 0.978 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccc(Cl)cc1 20354944 XGSVQJRTRMSMHK-UHFFFAOYSA-N 389.843 0.957 0 50 GCAA CCn1ccnc1[C@H]1N[C@](C(=O)OC)(c2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@@H]12 65421921 LMBXMFHBPXYLHH-GXNBUGAJSA-N 382.420 0.847 0 50 GCAA O=C(O)c1c(S(=O)(=O)NCCC(=O)N2CCCC2)sc2c1CCNC2 67840394 MGAIMYTXPUVFPV-UHFFFAOYSA-N 387.483 0.383 0 50 GCAA CS(=O)(=O)NC1CCN(C(=O)c2cn(Cc3ccc(F)cc3)nn2)CC1 72149825 ARORXUYFHRUMGJ-UHFFFAOYSA-N 381.433 0.619 0 50 GCAA Cc1cccc(C(=O)N2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 72430480 SGWIAXMCNVEPQL-SJORKVTESA-N 389.481 0.545 0 50 GCAA Cc1csc(CCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1 91643234 ZEDMRXRBZQQGSB-CABCVRRESA-N 380.514 0.585 0 50 GCAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@H](N)[C@H](C)O)CC3)cn1 92065915 GUAAXIJIJOZGLV-WMLDXEAASA-N 375.473 0.224 0 50 GCAA CCn1ncc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1C(=O)N1CCOCC1 226567584 UMBQYGUNYYKHTO-MQYQWHSLSA-N 392.412 0.192 0 50 GCAA CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 263459476 VIUOARPWUGYABP-AWEZNQCLSA-N 382.438 0.881 0 50 GCAA COCCn1nnc2c1CCN(S(=O)(=O)c1ccc(C)c(C(=O)O)c1)C2 414344052 NTHUPVLGFPDLMA-UHFFFAOYSA-N 380.426 0.678 0 50 GCAA CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)C1 434881244 TVOFRYGKWQQCHW-SNVBAGLBSA-N 386.499 0.747 0 50 GCAA O=C(NCc1nncn1CCc1ccccc1)NC[C@H]1CCS(=O)(=O)C1 952965225 SRSOMXZCYAYIKL-OAHLLOKOSA-N 377.470 0.755 0 50 GCAA COc1cccc(C(=O)NCC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 952981594 OCOULLMDLNWZCW-OAHLLOKOSA-N 388.424 0.262 0 50 GCAA O=C(NCc1nnc2n1CCC2)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529191144 SSTJDHFIZVBNBA-MSOLQXFVSA-N 382.424 0.367 0 50 GCAA Cc1cc(C)n(CC(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)n1 1857671112 OYBOHPDIDFOCFC-GJZGRUSLSA-N 390.465 0.840 0 50 GCAA COc1cc(F)c(CN2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c(F)c1 1857685590 YYTRXVAZEJAKFD-SFHVURJKSA-N 398.410 0.445 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3cncn3CC)CC2=O)s1 1857729948 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CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N3C2)c1 14537776 QJPKYPUWQXWEET-OJDJGZDQSA-N 378.454 0.379 0 50 GCAA Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1 20726941 RUMULVVZOZHJCB-UHFFFAOYSA-N 382.530 0.515 0 50 GCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1S(=O)(=O)c1c(C)ccc2nsnc12 65503031 NUACOTDYKBLHPO-PWSUYJOCSA-N 384.483 0.866 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3ccccc3)no2)C1 67614133 OJNCERKIJDSICN-CQSZACIVSA-N 393.469 0.871 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc3cnccc23)[C@H]2CS(=O)(=O)C[C@H]21 72480273 AYKDHECMXOOZNV-CABCVRRESA-N 381.479 0.337 0 50 GCAA CCCCS(=O)(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72481026 HPEMOMNPIQODBH-CVEARBPZSA-N 387.527 0.495 0 50 GCAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@H]13)O2)N1CCOCC1 77338417 LZZXGLOLXMJWBJ-CLWJZODNSA-N 375.469 0.113 0 50 GCAA O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)NCCCn2cncn2)c1 95374438 XPVWIWNQBHYQCR-AWEZNQCLSA-N 379.442 0.165 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(C)nc1C)CC2 95504844 JGRQIDSCXYUHOA-UHFFFAOYSA-N 398.467 0.979 0 50 GCAA O=C1CN(CC(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)C(=O)N1 95521363 PVEVDYUWKDZGIH-UHFFFAOYSA-N 382.424 0.584 0 50 GCAA Cn1nc2c(cc1=O)CN(C(=O)NCC1(N3CCOCC3)CCCCC1)CC2 173357063 VZCMCCXPIJVSBR-UHFFFAOYSA-N 389.500 0.883 0 50 GCAA COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@H](CC(=O)O)C3)CC2=O)cc1 262879320 YSEWPZLRMKNEMO-GOEBONIOSA-N 376.409 0.746 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1=O 328614847 XASDPAKPWVWMIT-SNVBAGLBSA-N 384.849 0.525 0 50 GCAA O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC(n2ccnn2)C1 365609205 MDRGCLLGMKOILY-UHFFFAOYSA-N 390.252 0.947 0 50 GCAA C[C@@H]1OCC[C@]12CN(c1ncnc3c1ncn3C[C@]1(O)CCOC1)C[C@@H](C)O2 888097913 SYVRYSVAFSIGMV-CFGMGRTJSA-N 389.456 0.750 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3nn[nH]c3c1)C2 1073372478 UWNIZKBKNSXPFD-YPMHNXCESA-N 378.458 0.301 0 50 GCAA Cn1nnnc1SCCNC(=O)c1cc2c(s1)CCOC21CCNCC1 1857693341 SESABDQAWQUGGV-UHFFFAOYSA-N 394.526 0.945 0 50 GCAA CN(C)C(=O)CCNC(=O)NCc1ccccc1N1CCC[C@@H](C(N)=O)C1 1875255106 UOCNFCBFJCJBGV-OAHLLOKOSA-N 375.473 0.666 0 50 GCAA COC(=O)C[C@@H]1CSC(NC(=O)c2ccc(S(N)(=O)=O)cc2Cl)=N1 1875257212 CVBBRGSABBUUGG-SSDOTTSWSA-N 391.858 0.752 0 50 GCAA CCN(CC(C)C)C(=O)[C@@H]1CO[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 2332237545 AOKDXXZWDFNHBK-IKGGRYGDSA-N 397.516 0.507 0 50 GCAA Cc1nc(CN2CCN(C(=O)Cn3nnnc3CN3CCCC3)CC2)cs1 12076006 KJMFSJOZTOKVBY-UHFFFAOYSA-N 390.517 0.378 0 50 GCAA CCN1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)CC1 14399579 XCZONLSRBNTSNC-UHFFFAOYSA-N 383.470 0.736 0 50 GCAA O=C1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)CCN1 71747239 QISBHKRUZHJBFN-INIZCTEOSA-N 376.501 0.448 0 50 GCAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(nc[nH]c3=O)C2)cc1 72174326 BWGXMHWMRPASDP-UHFFFAOYSA-N 376.438 0.657 0 50 GCAA CCn1ccnc1CN1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72469477 VRNFYVKSDGHBKO-SJORKVTESA-N 375.498 0.781 0 50 GCAA COCC(=O)N1CCN(C)C[C@H]1C(=O)N1CCc2ccc(OC)cc2CC1 95366067 JXXOYFKXUZBONR-SFHVURJKSA-N 375.469 0.411 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC)CN1C(=O)c1ccc(O)cc1 96135746 CJOOGNKTJVQHGC-ZBFHGGJFSA-N 377.441 0.606 0 50 GCAA CNC(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C 241383490 MVSCOUWBFYXWTH-GFCCVEGCSA-N 380.449 0.470 0 50 GCAA COCC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1 268246762 OMZNZQGNXBNUHK-HNNXBMFYSA-N 376.457 0.774 0 50 GCAA CN1CCO[C@@H](C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C1 328656018 YZIGTZDBFCPXJO-SOUVJXGZSA-N 380.468 0.248 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cn1C 408106136 JNPDZWZVZCMDPW-SWLSCSKDSA-N 394.497 0.549 0 50 GCAA O=C(NCCc1nc2ccccc2s1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 584886031 LKUQFMCPVPPQTD-QWHCGFSZSA-N 380.495 0.619 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COc1ccc(F)cc1F 1704337976 IWQDFOBZOFRWEY-GXFFZTMASA-N 378.397 0.366 0 50 GCAA COCC(=O)N1CCN(C(=O)NCCn2ccnc2)CCC12CCOCC2 1775962869 QQPZFQHGONKRNG-UHFFFAOYSA-N 379.461 0.323 0 50 GCAA CCOC(=O)c1csc(CCNC(=O)c2cc3n(n2)CCN(C)C3=O)n1 1857679583 NNJAAVHDFIWURW-UHFFFAOYSA-N 377.426 0.574 0 50 GCAA CC[C@H](C)CN1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)CC1=O 1857681201 CADNTIIZSMRBFV-HNNXBMFYSA-N 378.477 0.719 0 50 GCAA Cn1nc2n(c1=O)C[C@H](C(=O)N[C@@H]1[C@H]3CC[C@@H]1CN(Cc1cccnc1)C3)CC2 1857683384 RMGOSRIAQVNLMF-NTDBWNAOSA-N 396.495 0.566 0 50 GCAA Cn1cncc1C(=O)N[C@@H]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)C1 1857695445 JYPIIOYVMDNZRA-QWHCGFSZSA-N 391.453 0.148 0 50 GCAA CCOCC(=O)N1CCC(C2CCN(CC(=O)N=c3ccn(C)[nH]3)CC2)CC1 1857711626 AXRNUUMIUKAKLQ-UHFFFAOYSA-N 391.516 0.768 0 50 GCAA CCc1nccn1CCC(=O)N1CCC([C@H](O)CN2CCN(C)CC2)CC1 1857717274 OYUXDUPLJABKBJ-GOSISDBHSA-N 377.533 0.683 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CC1 1875367506 IWZMYHQKTQDCGC-HNNXBMFYSA-N 381.473 0.851 0 50 GCAA COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2nnc(-c3cccn3C)n2c1 1940196040 FZQRFPWUJCMHAU-AWEZNQCLSA-N 393.407 0.972 0 50 GCAA CCc1cc(C(=O)N[C@H]2CC[C@H](C(=O)NCCCc3ncc[nH]3)C[C@@H]2O)n[nH]1 2100533673 DMBGERJLOWFPMP-NOLJZWGESA-N 388.472 0.704 0 50 GCAA Cc1cc(N2CC[C@H](N3CCn4nc(Br)nc4C3)C2=O)n(C)n1 2325772024 MZUHGSWYRFMPNN-JTQLQIEISA-N 380.250 0.704 0 50 GCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)C1 2356153319 BBHFVZWLNFMYJD-LBPRGKRZSA-N 399.538 0.650 0 50 GCAA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1C(CO)(CO)CO 4147029 HEWAOASXDVEOMG-CSODTCANSA-N 379.412 0.594 0 50 GCAA CCN1CC2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)OC1=O 77455970 KOMZKCOZPJYJIO-UHFFFAOYSA-N 375.429 0.760 0 50 GCAA CCc1c(C)nn(CC(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)c1C 91574908 AOKKPIPCBJHVDX-QZTJIDSGSA-N 378.517 0.852 0 50 GCAA O=C(NCCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCNC2)c1 215051116 CGBFPYIIQWPVMX-HNNXBMFYSA-N 377.470 0.343 0 50 GCAA O=C(CN1CCC[C@H]1Cc1ccccc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 249330251 OUJOHCWZALFGRM-HOTGVXAUSA-N 379.482 0.706 0 50 GCAA NS(=O)(=O)CCOCCNC(=O)N[C@H]1CCCN(c2ccccc2F)C1 253424501 HCZURHSQECLICO-ZDUSSCGKSA-N 388.465 0.399 0 50 GCAA Cn1c(Cn2nnc(-c3ccccc3)n2)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254816576 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GCAA NCc1cn(CC(=O)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nn1 1875362457 FZMVGEBSIBLJFN-UHFFFAOYSA-N 393.347 0.183 0 50 GCAA CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 2325782734 AGZPBUYCZYXRNM-HBNTYKKESA-N 394.437 0.440 0 50 GCAA O=C([C@H]1Cc2nncn2C1)N1CC[C@H](NC(=O)[C@H]2CC[C@H](OC(F)F)CC2)C1 2325872682 JHHZZNHKWQTQSQ-XUXIUFHCSA-N 397.426 0.966 0 50 GCAA Cc1nnc(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)s1 2356141215 YJHLKFILRNNJSR-CYZMBNFOSA-N 378.458 0.188 0 50 GCAA CCn1ncc(NS(=O)(=O)c2cnn(C)c2C)c1C(=O)N1CCOCC1 2804268 LJZCNBSEKZZWLA-UHFFFAOYSA-N 382.446 0.218 0 50 GCAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC[C@@H]3CCCO3)=C2)cc1 6800305 XDMSZISVWTXKNS-AWEZNQCLSA-N 379.438 0.854 0 50 GCAA CSCC(=O)N1CC(=O)N(CCCN2CCCC2=O)C[C@H](OCC2CC2)C1 14537597 BIXGGGCMPLQJLQ-INIZCTEOSA-N 397.541 0.828 0 50 GCAA Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cn1 91678323 XXTBQQMLEJOVOA-DZGCQCFKSA-N 375.454 0.627 0 50 GCAA COCCN1CCN(C(=O)c2cnc3c(c2)CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 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50 GCAA CO[C@@H]1CN(c2ccnc(NCc3cc(=O)n4ccccc4n3)n2)C[C@@H]1N(C)C 1875398500 SUVSKFMBXUABIY-JKSUJKDBSA-N 395.467 0.862 0 50 GCAA COc1ccnc(N[C@@H]2C[C@@H](C(=O)N3CCCNC(=O)C3)CC[C@H]2OC)n1 2356159286 ULLFQHSBBSGNJS-BFHYXJOUSA-N 377.445 0.429 0 50 GCAA CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)cc1 14536112 VXHGRENIXPKFMB-ULQDDVLXSA-N 387.484 0.967 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 20327525 VNKIZKYIUSDYGQ-INIZCTEOSA-N 391.424 0.937 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cnc(C)cn3)CC2)C1 71748780 OCMJAXXVJIEAAE-INIZCTEOSA-N 389.500 0.864 0 50 GCAA Cc1nnnn1CCCn1nc(C2CCNCC2)n(Cc2ccccc2)c1=O 71755454 WVCAXXZCUJRFLT-UHFFFAOYSA-N 382.472 0.945 0 50 GCAA Cc1nc[nH]c1CN1CCN(Cc2cnn(C)c2C)[C@H]2CS(=O)(=O)C[C@H]21 72429186 RCEGPVOBCSKXFV-DLBZAZTESA-N 378.502 0.243 0 50 GCAA CCc1nccn1CCC(=O)N1CC[C@@]2(O)CCN(C(=O)N(C)C)C[C@H]2C1 91562934 ZSPWZJYXICESOS-DNVCBOLYSA-N 377.489 0.803 0 50 GCAA CCn1cc(S(=O)(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)n1 95383425 HZPDOOFDKFITQT-LBPRGKRZSA-N 384.458 0.298 0 50 GCAA COc1ccc(CN2CCCOCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 95497308 CLUPPYXLJJDWFO-IBGZPJMESA-N 393.528 0.905 0 50 GCAA CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1NS(=O)(=O)N(C)C 95523328 MVVQIDVWRCPQGF-UONOGXRCSA-N 383.470 0.908 0 50 GCAA Cc1ccc(OCC(=O)N2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 213090362 ZLTWUBZEWZWLGH-SJORKVTESA-N 394.493 0.866 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cn3ccsc3n2)C1 223423886 IWJYLZBMIDFNOX-XYPYZODXSA-N 376.442 0.802 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2cnc3ccccc32)C1 244700912 JWEBWCPLRBRUGW-OKILXGFUSA-N 384.440 0.829 0 50 GCAA CN1CCC(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)(c2ccccc2)CC1 426511765 SIFCIPZAAYAMSP-MRXNPFEDSA-N 397.479 0.381 0 50 GCAA O=C(c1cnc(O)nc1O)N1C[C@@H]2CN(C3CCCCC3)C[C@]2(C(=O)O)C1 1565515326 XMKQTYVYECURHG-VOJFVSQTSA-N 376.413 0.679 0 50 GCAA COCC(=O)N[C@]1(C)CCOC2(CCN(CCn3nccc3C)CC2)[C@H]1O 1772712115 IBGNNKRHRSQXDE-ZWKOTPCHSA-N 380.489 0.329 0 50 GCAA Cc1cc(CC(=O)N2C[C@H]3CN(Cc4cnn5cccnc45)C[C@]3(CO)C2)on1 1772811275 UZNUJTADXJEGHI-OXQOHEQNSA-N 396.451 0.521 0 50 GCAA Cn1ccnc1[C@]1(CNC(=O)c2cc(-c3ccccc3)[nH]n2)NC(=O)NC1=O 1775985510 DJDNWUVIYVSIHI-SFHVURJKSA-N 379.380 0.275 0 50 GCAA O=C(c1cnc2ccccn2c1=O)N1CC[C@H]2[C@@H]1CC(=O)N2[C@H]1CC[C@H](O)CC1 1857686155 KBYSNRQVKAOSSY-OTRWWLKZSA-N 396.447 0.813 0 50 GCAA O=C(CCOc1ccccc1)N[C@H]1CC[C@H](C(=O)N2CCOCC2)C[C@@H]1O 2100482808 ABCGYGYRVVJKKG-SZMVWBNQSA-N 376.453 0.960 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cnccn2)cc1 12440086 DHWRCNJGKALIHN-IBGZPJMESA-N 397.479 0.925 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCOCC4)cc3)nn2)CN1 67867822 DCLAYZSCBZTECO-MSOLQXFVSA-N 384.484 0.816 0 50 GCAA COCC(=O)N1CCOC[C@]2(CN(Cc3cccc(C(C)=O)c3)CCO2)C1 72146946 FMCJIRIXPCEFFA-FQEVSTJZSA-N 376.453 0.965 0 50 GCAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2[C@H]3CC[C@@H]2CNC3)[nH]c1=O 77354163 IYQGJWOIELZZMU-IYBDPMFKSA-N 396.447 0.970 0 50 GCAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)ccc1O 82127557 ILJIKZPCIFRFSO-UHFFFAOYSA-N 378.454 0.992 0 50 GCAA Cc1nnc(CN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1 91988259 IVYRULGOOGOAKL-AWEZNQCLSA-N 377.445 0.588 0 50 GCAA CN1CCN(c2cc(N3CCC(N4CCC(O)CC4)CC3)nc(N)n2)CC1 95511262 WNLPGKQDFHESNB-UHFFFAOYSA-N 375.521 0.236 0 50 GCAA COc1cc(CN2CCOCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 95512943 UWCPNOXUXZUHMY-GOSISDBHSA-N 380.485 0.724 0 50 GCAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cn1nnnc1CN1CCOCC1 95513360 OJHKHTVGKSWIRR-UHFFFAOYSA-N 398.427 0.214 0 50 GCAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(CC(=O)N2CCOCC2)C1 95527704 UYFCZNYSFKMQPD-HNNXBMFYSA-N 399.455 0.172 0 50 GCAA NCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O 96503404 LSJBUXFSRLIRAX-UHFFFAOYSA-N 386.040 0.349 0 50 GCAA C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 154847661 LZLHGEQFZHJSGA-SJORKVTESA-N 390.528 0.933 0 50 GCAA Cc1ccn2c(C(=O)NCc3cc4n(n3)CCN(C(=O)C(C)C)C4)nnc2n1 299766275 HYGYIHNZHJOOJR-UHFFFAOYSA-N 382.428 0.557 0 50 GCAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccc3c(c1)OCO3)C2 377952591 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Cc1ccc(OC2(C(=O)NCCSc3nnnn3C)CCNCC2)cc1 77385160 NOCPVJKUQFQZML-UHFFFAOYSA-N 376.486 0.928 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(F)cc1)C2 95387751 PWTICPMZTNCLIQ-DZGCQCFKSA-N 385.461 0.934 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)Cc1ccccc1)C2 95526561 JPAJARGSSAQEEF-JKSUJKDBSA-N 379.482 0.527 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2ccn(C(C)(C)C)c2)[C@H]2CS(=O)(=O)C[C@H]21 95528052 NPLYWOFWNJNMQF-LSDHHAIUSA-N 396.513 0.848 0 50 GCAA CN(C(=O)Nc1cnn(Cc2ccccc2F)c1)[C@@H]1CS(=O)(=O)C[C@H]1O 96139475 YFCKHVBEKULHAX-HUUCEWRRSA-N 382.417 0.692 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCc2cnc[nH]2)c1)N1CCCNCC1 215040051 GTUDMMJQDDBHJR-UHFFFAOYSA-N 377.470 0.366 0 50 GCAA Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 244874976 XKIVYWTXHCSDPA-OKILXGFUSA-N 381.436 0.993 0 50 GCAA Cc1nc[nH]c1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299800798 VVDBPRMPFVCEHC-QGZVFWFLSA-N 389.500 0.797 0 50 GCAA COCC(=O)N1CCCN(C(=O)NCCc2nc(O)c3ccccc3n2)CC1 426544724 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CC(C)(C)OC(=O)COc1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1 1875327864 NOXAPTRJUSSSRQ-OAHLLOKOSA-N 378.425 0.730 0 50 GCAA COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)N(C)CCc3ncon3)C[C@H]2O)cc1 1940196349 DXDNRWAGGVTBAY-NUEKZKHPSA-N 388.424 0.649 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NC[C@H]4CCCCN4)cccc3C2=O)C(=O)N1 2325896225 UJURGUTXMICQAM-WBMJQRKESA-N 384.436 0.320 0 50 GCAA CN1CCN(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)C1=O 2356143948 DCVSEYNCLAIDKV-CABCVRRESA-N 380.832 0.380 0 50 GCAA CCN1CCN(C(=O)C2=CC(c3cccc(OC)c3)=NS(=O)(=O)N2C)CC1 20467484 VVNNEEZCVPWUTD-UHFFFAOYSA-N 392.481 0.723 0 50 GCAA COc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1O 45614679 SHJBQGDCUXRTBS-UHFFFAOYSA-N 376.457 0.850 0 50 GCAA CS(=O)(=O)c1cnc(N2CCC3(CCNCC3)C2)nc1[C@@H]1CCCNC1 72432141 VOHMXNXQEAWVRU-CQSZACIVSA-N 379.530 0.927 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCCCN1C)CC2 95531197 WRGUXGHWHXIMKT-MRXNPFEDSA-N 389.500 0.743 0 50 GCAA COC(=O)c1c[nH]c(S(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 170618496 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Cn1ncnc1CCNC(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71707978 LVXPZBXLPMGKSO-INIZCTEOSA-N 388.516 0.587 0 50 GCAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 72143122 HHAZXHDHVCJEQZ-QGZVFWFLSA-N 385.468 0.753 0 50 GCAA Cn1ccnc1CN(CCO)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 72171503 GZDIXNMDBHBXIT-QGZVFWFLSA-N 391.516 0.512 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)Cc2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72432521 MGRQGSNLTDWCEP-JKSUJKDBSA-N 380.466 0.427 0 50 GCAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCCCN2CCC[C@@H](O)C2)C1 77452002 MNRJRXVESJTMQE-OAHLLOKOSA-N 376.505 0.706 0 50 GCAA Cc1nn(CC(=O)NC[C@H](C)N2CCOCC2)c(=O)n1CCc1ccccc1 77458006 CRGWGQUSGOBNDH-INIZCTEOSA-N 387.484 0.433 0 50 GCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91793991 ZIAGKXYPGXZAKV-AWEZNQCLSA-N 394.435 0.652 0 50 GCAA Cc1cnc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)cn1 95389117 GZIYXTMHUBYEOW-AWEZNQCLSA-N 376.438 0.782 0 50 GCAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 115319914 ABCZSFIRVOOLGI-UHFFFAOYSA-N 388.497 0.888 0 50 GCAA Nc1nc(SCC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n[nH]1 210032629 RZAKCVSVSLIJCJ-MNOVXSKESA-N 377.426 0.585 0 50 GCAA CC1=C(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](C)n2ncnc2N1C 225697370 FKSIGWPMFGIOMU-JTQLQIEISA-N 396.411 0.147 0 50 GCAA CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NCCOC)n1 239338992 LNYYHMZZCUWPJN-AUZPSNTRSA-N 378.429 0.965 0 50 GCAA CCC(=O)N1CCN(Cc2nc(O)c3sccc3n2)[C@@H]2CS(=O)(=O)C[C@@H]21 253610351 ROHKNVZEDBBDJO-NEPJUHHUSA-N 396.494 0.617 0 50 GCAA Cn1cnc(C(=O)N2NC(=O)C[C@]23CCCN(Cc2ccc(CO)cc2)C3)c1 888103575 NQEFFUGSRPOVEW-FQEVSTJZSA-N 383.452 0.824 0 50 GCAA Cn1c(=O)c2c(ncn2CCN2CCOc3ccc(Cl)cc3C2)n(C)c1=O 1529100474 VBLXRHNUOFOTSH-UHFFFAOYSA-N 389.843 0.982 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)cc1F 1704340017 BXDTXAMLUFGHIP-HOTGVXAUSA-N 389.445 0.890 0 50 GCAA Cn1ccc2cc(CN3C[C@@H]4COC[C@]4(C(=O)N4CCNC(=O)C4)C3)ccc21 1857691346 HJQSSKHOHAXDGU-DYESRHJHSA-N 382.464 0.585 0 50 GCAA Cc1nc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(C4CCOCC4)C[C@@H]23)cs1 1857704013 ZWCFFFATWHJCLO-CFVMTHIKSA-N 385.511 0.458 0 50 GCAA O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402899 NMRRYCCJNLMJIO-KZNAEPCWSA-N 384.484 0.356 0 50 GCAA CNC(=O)Cc1nc([C@H]2CC[C@H](N)CC2)n(-c2nc(C(F)(F)F)nn2C)n1 2100473189 DWXBNKMRTAHPAW-KYZUINATSA-N 386.382 0.688 0 50 GCAA CO[C@@H]1COC[C@@H]1S(=O)(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F 2325820000 XJLHDRLJYPKULV-UHTWSYAYSA-N 385.360 0.952 0 50 GCAA CC(C)CC[C@@H](C)NC(=O)c1csc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)n1 2325825658 YOQJOGVGDWZBSY-UTUOFQBUSA-N 379.486 0.501 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)N(C)Cc2ccon2)CC[C@H]1NC(=O)c1ncc[nH]c1=O 2356152696 WTFKVHHMBCSZIS-IACUBPJLSA-N 389.412 0.330 0 50 GCAA Cc1cn(CC(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c(=O)nc1O 2356168480 FXGAKRWWZUAVGD-FZKQIMNGSA-N 381.429 0.358 0 50 GCAA Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2Cl)n(C)c1=O 4815853 PDZWWGBRZISNRL-UHFFFAOYSA-N 388.859 0.545 0 50 GCAA in-vitro CSCC(=O)N1CC(=O)N(CCCN2CCCC2=O)C[C@@H](OCC2CC2)C1 14537598 BIXGGGCMPLQJLQ-MRXNPFEDSA-N 397.541 0.828 0 50 GCAA COc1nccnc1N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91677079 LJJNENQXTGWQAZ-UHFFFAOYSA-N 378.458 0.522 0 50 GCAA COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2nc(N)nc3c2CCCC3)C1 92022001 MAJGAVNNYMSOBT-CABCVRRESA-N 391.516 0.586 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccoc2)CN1Cc1nc(COC)no1 96136167 KHLMZXFICKVVKS-STQMWFEESA-N 377.401 0.318 0 50 GCAA NC(=O)c1ccc(-c2nc(CN3CCNC(=O)C3)n(-c3ccccc3)n2)cc1 96139103 UTVNNQHDVRQRIX-UHFFFAOYSA-N 376.420 0.965 0 50 GCAA Cc1ccc(OCCN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c(C)c1 96153414 HFWYMYCQSKQKSZ-CRAIPNDOSA-N 382.482 0.960 0 50 GCAA CCC[C@H](NC(=O)[C@H]1CC[C@H](C(N)=O)O1)C(=O)N1CCc2sccc2C1 170607997 NKEIEVPOOJMEKN-BFHYXJOUSA-N 379.482 0.951 0 50 GCAA COCCN1C[C@H](C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1=O 268336845 GDOQAVVZIKDSDA-KGLIPLIRSA-N 375.425 0.412 0 50 GCAA Cn1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299770908 RZHINLXFPNWCHC-KRWDZBQOSA-N 389.500 0.499 0 50 GCAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cncnc1 299772636 ARNNMFUMRLZWJF-SFHVURJKSA-N 387.484 0.556 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(Cc2cccc(F)c2F)CCO1 328602146 ALZNLCQJTVAKQT-LBPRGKRZSA-N 378.397 0.512 0 50 GCAA Cn1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1C(N)=O 367542088 XHZWIVLHEFELLT-ZBFHGGJFSA-N 377.466 0.911 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CC1 373255695 MLJFCXGCCDLVCE-IKGGRYGDSA-N 386.500 0.504 0 50 GCAA CN(CCn1ccnc1)C(=O)c1cccc(-c2cc(=NCCO)nc(N)[nH]2)c1 534640788 RCVGVYWVKAFTHC-UHFFFAOYSA-N 381.440 0.521 0 50 GCAA O=C(CCn1cccn1)N1CC[C@]2(O)CCN(C(=O)N3CCCC3)C[C@@H]2C1 1565512103 AGJRWPZWQSILNS-LPHOPBHVSA-N 375.473 0.774 0 50 GCAA Cc1cc(C)cc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704297768 WJXKRTDBOJEQRW-ZFWWWQNUSA-N 376.500 0.488 0 50 GCAA Cc1ccccc1CNC(=O)CN1C[C@@H]2CN(Cc3cncnc3)C[C@@]2(CO)C1 1772806131 ZEVYOOXKKCBBON-UNMCSNQZSA-N 395.507 0.828 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)N(C)CCCO)n2)cc1OC 1857704346 OOLHBRKPZHFDMJ-CYBMUJFWSA-N 391.472 0.747 0 50 GCAA CN(C)c1cccc(C(=O)N[C@@H]2CN(CCN3CCOCC3)CC[C@H]2O)c1 1857710822 RGXWQDSWYIMFDV-RTBURBONSA-N 376.501 0.250 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccnn2C)N1Cc1ccccc1 1875396281 APBUHGMPFBQXNB-QAPCUYQASA-N 394.497 0.350 0 50 GCAA C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2ncnc3c2NC(=O)CN3)CC1 2325758098 SSKOPPNXNMTPKF-GFCCVEGCSA-N 395.489 0.082 0 50 GCAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cnc4c(c3)CCCO4)C2)c1 2325786172 MEBVFUHHJJGZPR-IUIKQTSFSA-N 386.408 0.871 0 50 GCAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCn1cc(Br)c(O)nc1=O 2325804792 QKYLKYLWXXCNDA-JOYOIKCWSA-N 385.262 0.700 0 50 GCAA C[C@@H](CCNC(=O)c1cnc2n1CCOC2)NC(=O)[C@@H](C)N1CCCCC1=O 2325878918 AGZWFCXLHZWVBW-UONOGXRCSA-N 391.472 0.439 0 50 GCAA COc1c[nH]c(C(=O)N2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)cc1=O 2356161160 JEJHYJPHVOAYAB-YLJYHZDGSA-N 386.404 0.904 0 50 GCAA Cc1ccc(C)c(S(=O)(=O)NCCOc2nc(N(C)C)nc(N(C)C)n2)c1 2905822 AHCXZCYTSUOMOP-UHFFFAOYSA-N 394.501 0.978 0 50 GCAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)C2=NNC(=O)CC2)CC1 12050500 MMLCPQGALMYTNM-INIZCTEOSA-N 391.516 0.872 0 50 GCAA Cc1cc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)nc(N)n1 55413999 RCMYWUUGIHMMQC-UHFFFAOYSA-N 384.440 0.682 0 50 GCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn(CC[C@@H]3CCCCN3)nn1)CC2 77353430 ZOPLTZCCNHZQCR-AWEZNQCLSA-N 385.472 0.443 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1 95361568 JZLUPKRHOVUXAY-OAHLLOKOSA-N 378.454 0.770 0 50 GCAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc3c(c2)ncn3CCO)C1 97468333 SPXUBXFWEVBEJF-ZDUSSCGKSA-N 380.470 0.430 0 50 GCAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCN1CCC[C@@H](C(N)=O)C1 97631962 SOKXGKBGHAEYGF-CYBMUJFWSA-N 382.486 0.717 0 50 GCAA C[C@H](CNC(=O)CSc1n[nH]c(=O)[nH]1)N1CCN(c2ccccc2)CC1 186932008 DYIBABNTGXNINJ-CYBMUJFWSA-N 376.486 0.517 0 50 GCAA O=C(CN1CCN(S(=O)(=O)N2C[C@H]3CC[C@H]2C3)CC1)NCc1ccccc1 246262454 UJPCFAZNPDSSEJ-ROUUACIJSA-N 392.525 0.650 0 50 GCAA O=S(=O)(c1cccc2nonc12)N1CC[C@](O)(c2nc(C3CC3)no2)C1 275367224 WSARRDPHYNMBDD-OAHLLOKOSA-N 377.382 0.765 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(Cl)o2)CCO1 328602335 BEAUZRBZDDIFDF-SECBINFHSA-N 380.806 0.120 0 50 GCAA Cc1ncc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)[nH]1 376316406 LGTBEOVUDLWDKU-CHWSQXEVSA-N 376.438 0.916 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)cc1Cl 642331600 NAHQAJMYFALIRU-UHFFFAOYSA-N 375.878 0.743 0 50 GCAA O=S1(=O)CC[C@@H](S(=O)(=O)NCc2nncn2CCc2ccccc2)C1 670469562 BZKYMSLJSXIRLJ-CQSZACIVSA-N 384.483 0.127 0 50 GCAA O=C(NOC[C@H]1CCOC1)N1CCc2nnc(N3CCCOCC3)cc2C1 952890991 QUTULEITRWPABR-AWEZNQCLSA-N 377.445 0.739 0 50 GCAA Nc1ccc(C(=O)N2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@]3(CO)C2)cn1 1772705667 OVVGAGHOJMIAMI-DYESRHJHSA-N 395.463 0.585 0 50 GCAA COCCn1ccnc1CN1C[C@@H]2CN(c3ccncc3F)C[C@@]2(CO)C1 1772804548 QVBWWBKMJNITEJ-DNVCBOLYSA-N 375.448 0.994 0 50 GCAA COCC(=O)N[C@@H]1CN(C(=O)c2cccc3nc[nH]c23)C[C@H]1c1nccn1C 1775960921 UNAAGGXDRPQYQG-UKRRQHHQSA-N 382.424 0.667 0 50 GCAA Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)NCc3nnc4ccccn34)C[C@@H]2O)no1 1875244515 MVHBTWPVYOOQAQ-OBJOEFQTSA-N 384.396 0.211 0 50 GCAA Cc1nc(C)c(CNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)s1 2100536877 CTSCFKJYHSGGLO-DMDPSCGWSA-N 378.458 0.454 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1NC(=O)c1cnn[nH]1 2100540293 HSCHZNYJZTUMLU-SQWLQELKSA-N 378.477 0.272 0 50 GCAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnn(C)c2)CC1=O 2325819410 DGJLXZUPVQJJEV-JSGCOSHPSA-N 376.438 0.835 0 50 GCAA C[C@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCNC1 2325896924 KMAKSTNTNIPYDI-YWZLYKJASA-N 384.436 0.177 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2n[nH]c(=N)s2)[C@H]1c1ccccc1 2356169104 KSKHFCNTBGWKED-CVEARBPZSA-N 389.481 0.986 0 50 GCAA CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 627814 WBQPHPWAKVEBSO-UHFFFAOYSA-N 383.470 0.749 0 50 GCAA COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 3831070 RJQXTJLFIWVMTO-TYNCELHUSA-N 380.422 0.949 0 50 GCAA biogenic,world O=C(NCc1cn2ccccc2n1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 19743397 JQODLZFEUABAAV-INIZCTEOSA-N 385.468 0.521 0 50 GCAA CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 20026468 FFEYGYQUKGEVCC-UHFFFAOYSA-N 382.468 0.229 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 38223737 OMHFHLVXXWFVGJ-IBGZPJMESA-N 380.496 0.989 0 50 GCAA COc1cc2c(cc1CN1C[C@H](O)[C@@H](N3CCN(C)CC3)C1)OCCCO2 67675819 JTADCULBJJXRDA-IRXDYDNUSA-N 377.485 0.649 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 67676480 NKJKARXMOONAMU-UQTITGAPSA-N 386.500 0.638 0 50 GCAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN2CCC(O)CC2)c1 95505214 KINMOBZSRUFFCB-IBGZPJMESA-N 394.512 0.848 0 50 GCAA Cc1cn(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)c(=O)[nH]c1=O 96131967 QZROGFUURFLIPV-UHFFFAOYSA-N 379.420 0.675 0 50 GCAA Cc1cccc(-n2cc(CNC(=O)c3cc4n(n3)C[C@H](O)CNC4=O)cn2)c1 426527708 GWSOYAXQWFTXKH-OAHLLOKOSA-N 380.408 0.412 0 50 GCAA O=S1(=O)CC[C@H](S(=O)(=O)NCc2nncn2CCc2ccccc2)C1 670469561 BZKYMSLJSXIRLJ-AWEZNQCLSA-N 384.483 0.127 0 50 GCAA O=C(CN1Cc2ccccc2C1)NC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 952970778 WMWFKDNKUOUEJX-HNNXBMFYSA-N 395.463 0.754 0 50 GCAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nc(-c4cccnc4)no2)[C@@H]3C1=O 952979567 OJLRBCALPGDTSZ-FIIQBIKZSA-N 381.392 0.502 0 50 GCAA CN(C)C[C@]1(CO)CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 952990198 VCRYFQFLMCOUPZ-MRXNPFEDSA-N 390.527 0.415 0 50 GCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CC[C@]2(CNC(=O)C2)C1 1256233015 IFUPZBOQNOAUCO-SFHVURJKSA-N 390.465 0.320 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@H](O)COc3ccccc3C)CC2)n2ncnc2n1 1506396159 IETCVTKTAORDJI-MRXNPFEDSA-N 396.451 0.830 0 50 GCAA COc1cc(CCC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)ccc1C 1616078417 GUENJFDEYGYANB-CVEARBPZSA-N 384.498 0.647 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857671548 VDXGWFFTBZRCCC-GOSISDBHSA-N 394.395 0.275 0 50 GCAA Cc1ncc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)CCc2ccnn2C)C3)c(O)n1 1857691331 GQSVMQVHPLDNMM-UOIKSKOESA-N 398.467 0.824 0 50 GCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cccc(N2CCOCC2=O)c1 1875403207 RWLHNUBLDXOPSV-BMGDILEWSA-N 384.436 0.816 0 50 GCAA Cc1cnn(C)c1C(=O)N[C@@H]1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)C1 2325827553 JNOWVBPTJPDDPY-UTKZUKDTSA-N 382.464 0.979 0 50 GCAA CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4899500 FVGOGEGGQLNZGH-DZKIICNBSA-N 393.440 0.131 0 50 GCAA biogenic COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 11662862 VPRXPCDVUHYYMN-MRXNPFEDSA-N 393.440 0.026 0 50 GCAA Cc1nc(CCNC(=O)Cn2nnnc2CN2CCCC2)nc2c1CCCC2 11844605 WVWSTHUPEYJBFP-UHFFFAOYSA-N 384.488 0.605 0 50 GCAA CN(CCN1CCOCC1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 20167552 KMUMXYPJZLVWSU-MRXNPFEDSA-N 386.518 0.230 0 50 GCAA O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 20351277 LGDNCIQYCKRULI-UHFFFAOYSA-N 381.498 0.923 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3cc(OC)ncn3)CC2)C1 71416401 LWWMPQLFZBXODW-HNNXBMFYSA-N 377.489 0.929 0 50 GCAA Cc1cc(C)cc(CN2CCN(C(=O)C3(N)CC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 82121949 OMOZVNULNKIISY-SJORKVTESA-N 377.510 0.605 0 50 GCAA CC[C@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)N1Cc2ccccc2C1=O 92077541 KFCVRKLEPOARMZ-MRXNPFEDSA-N 379.482 0.961 0 50 GCAA O=C(NCCN1CCCC1)c1cccc(S(=O)(=O)NCc2ccon2)c1 95519672 GEGJYIZFYWMNQT-UHFFFAOYSA-N 378.454 0.979 0 50 GCAA COCCN1C[C@@H](NC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)CC1=O 97553309 HEYCYPVULWREPO-NSHDSACASA-N 388.421 0.566 0 50 GCAA Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCOC[C@H]3OCCO)CC2)c1 219893258 NZZIDOLCTGOJFX-WOJBJXKFSA-N 391.512 0.790 0 50 GCAA C[C@H]1CN(C(C)(C)CNS(=O)(=O)CC2CCS(=O)(=O)CC2)C[C@@H](C)O1 225833427 YTLJYVAVMKWMGQ-OKILXGFUSA-N 396.575 0.618 0 50 GCAA C[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[S@@]1=O 252488311 IOVSMEHMUHUXFZ-IPQOISQHSA-N 394.540 0.469 0 50 GCAA Cc1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c(O)n1 252497513 QJSVSMYHERHBGV-UHFFFAOYSA-N 393.469 0.891 0 50 GCAA C[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1nnnn1C 252511136 ZUWPIMRDLVEFSH-GFCCVEGCSA-N 382.428 0.920 0 50 GCAA O=C([C@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262646295 SOBGSKGFWIQLCH-GFCCVEGCSA-N 397.482 0.234 0 50 GCAA CS(=O)(=O)C1(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)CCCC1 333793932 WVXZPBXZIJNIEQ-CYBMUJFWSA-N 377.470 1.100 0 50 GCAA CC(C)C[C@@H]1C(=O)NCCN1c1ncnc2c1ncn2C[C@@]1(O)CCO[C@@H]1C 888097859 QTUHTWQXDQSNMR-LPMFXHHGSA-N 388.472 0.717 0 50 GCAA CC1(C)CN(c2ncnc3c2ncn3CC2(CO)COC2)C[C@]2(CCOC2)O1 888098016 XGNWUXORTXISBQ-IBGZPJMESA-N 389.456 0.610 0 50 GCAA Cn1cc(-c2noc([C@@H]3CCc4nnn(C5CCC5)c4C3)n2)c(=O)n(C)c1=O 952892608 FLJDXRNRXDRUDM-SNVBAGLBSA-N 383.412 0.723 0 50 GCAA Cc1cnccc1N1CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)CC1 1506423212 GGOWKOPHJRIHFP-OAHLLOKOSA-N 382.486 0.944 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)C[C@H]1O 1529174165 QCAIKMUCSBBMMY-DZGCQCFKSA-N 379.438 0.666 0 50 GCAA C[C@@H]1C[C@@H]2CCN1C(=O)CCc1cn(nn1)CCOc1cccnc1C(=O)N2 1704339210 FNRVOSLCECPWIM-KGLIPLIRSA-N 384.440 0.808 0 50 GCAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(C(=O)Cn2cnnn2)CC1 1772705563 JVXDLQKFCXKXGK-HNNXBMFYSA-N 383.456 0.185 0 50 GCAA CC(C)c1nc(CNC(=O)[C@@]23CCCN(C(=O)CO)[C@H]2CN(C)CC3)no1 1857706171 CKANHGMXKGBYIG-SCLBCKFNSA-N 379.461 0.114 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)nc3ccccc13)C2 1875396118 WAMFTXMGVWLEQG-HNNXBMFYSA-N 387.461 0.919 0 50 GCAA Cc1nc2nc(NC(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)[nH]n2c(=O)c1C 1940197360 KKKIVGCRZDRXTM-KGLIPLIRSA-N 382.380 0.229 0 50 GCAA CC(=O)NCc1cc(CNC(=O)c2ccc(N3CC(=O)NC3=O)cc2)ccn1 2356158851 BWGZJKCBXLMSJU-UHFFFAOYSA-N 381.392 0.704 0 50 GCAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)cc1OC 1430540 XDZSJWOECXZFJP-UHFFFAOYSA-N 399.407 0.363 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)Nc3ccc(F)cc3F)nn2)CN1 67955390 KRWKLDMXIXMMSB-FZMZJTMJSA-N 379.371 0.527 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncccc3C(N)=O)CC2)C1 71745508 XPVMUXMTNMLJPZ-OAHLLOKOSA-N 389.500 0.624 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3ncccc3C(N)=O)CC2)C1 71745509 XPVMUXMTNMLJPZ-HNNXBMFYSA-N 389.500 0.624 0 50 GCAA O=C(c1cc[nH]n1)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 77379497 TYPSZVGJIZMTIV-CQSZACIVSA-N 376.438 0.675 0 50 GCAA O=C1CC[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)N1 91452469 MTYRFFNJDRLAPY-OAHLLOKOSA-N 385.468 0.691 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95498236 KUPYHBXLMYBPMX-GFCCVEGCSA-N 388.453 0.646 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C(=O)c1ccc(C)cc1C 96132558 VWQZAUOVPYUYSW-RDJZCZTQSA-N 375.469 0.863 0 50 GCAA NC(=O)c1cccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 158725417 JTRHUHWQSXCSAH-UHFFFAOYSA-N 382.468 0.734 0 50 GCAA CO[C@H]1C[C@H](C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)N(C(=O)OC(C)(C)C)C1 170611208 SUHVKIIUPWUACS-RWMBFGLXSA-N 383.445 0.663 0 50 GCAA O=C(NCCc1nccs1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 215486764 ILELCNROGWUWJI-CYBMUJFWSA-N 381.479 0.871 0 50 GCAA COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc2ncnn2c1O 252538445 NBKSVWZXFCHSGD-HNNXBMFYSA-N 383.408 0.971 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1O 1529190974 QQWSFOADTNEHKS-JSGCOSHPSA-N 384.433 0.560 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3cncc(Cl)c3C)C2)cc[nH]1 1857531470 YWIDCBADFQAEBX-KGLIPLIRSA-N 376.848 0.931 0 50 GCAA O=C(c1cc[nH]c1)N1CCC[C@@](O)(CN2CCC(N3CCOC3=O)CC2)C1 1857708998 YFRHSXQZBKQAFK-LJQANCHMSA-N 376.457 0.898 0 50 GCAA CCCCc1nc(CN2CC[C@H](O)[C@H](NC(=O)CNC(C)=O)C2)c(Cl)[nH]1 1857716280 FTDNIHLTAPOOEA-OCCSQVGLSA-N 385.896 0.593 0 50 GCAA COc1cccc(C(=O)N[C@@H]2C[C@H](C(=O)NCc3cnn(C)c3)C[C@H]2O)c1F 1940194906 BKDYVFJTRJDWAR-NWANDNLSSA-N 390.415 0.754 0 50 GCAA COc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1F 1940196088 JLBRCYGYIRSTAC-RYUDHWBXSA-N 388.417 0.240 0 50 GCAA Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1CC[C@]2(CC(C(F)F)=NO2)C1 2325807274 NGCTXNGSURZPGM-KRWDZBQOSA-N 381.383 0.926 0 50 GCAA CCCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763353 DFXSIBNDNVSVES-OAHLLOKOSA-N 393.440 0.877 0 50 GCAA COC(=O)[C@@H]1N[C@H](c2cnn(-c3ccccc3OC)c2)[C@@H]2C(=O)N(C)C(=O)[C@H]12 65372547 OTLNINMMFFJYGS-QKPAOTATSA-N 384.392 0.298 0 50 GCAA Cn1ncnc1CCNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CCNC2 71405841 XFYRQWDKILQJIS-UHFFFAOYSA-N 378.440 0.671 0 50 GCAA CCc1ncc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72439735 SHLZOXXOWIIKPW-CVEARBPZSA-N 378.498 0.929 0 50 GCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1)CC2 91664561 RZHSBIAJWPZXPO-UHFFFAOYSA-N 375.454 0.754 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1CNCCO1)CC2 91665676 ZPMDWVWUJIAZNV-AWEZNQCLSA-N 375.473 0.401 0 50 GCAA CNc1nc(N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)nc2c1CCC2 95368103 LCFCJBVNLRRABF-SJKOYZFVSA-N 381.502 0.230 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cc1c(C)noc1C 96163353 JJSXIIQWOSYYMW-HOCLYGCPSA-N 376.457 0.856 0 50 GCAA COc1ccc([C@@H](O)C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1 215896561 VRQMDEDNVKAYJO-QGZVFWFLSA-N 377.441 0.761 0 50 GCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1(N)CCCCCC1 237501677 KBLBQRXKXGZKFY-ZDUSSCGKSA-N 385.534 0.872 0 50 GCAA Cn1cc([C@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]2C[C@@H](O)C2)cn1 252552188 UQOYIHSUIROKAC-YOIRWDDOSA-N 392.437 0.542 0 50 GCAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cnn(C(C)C)c3)C2=O)n(C)n1 266319721 HFAYXAJFIQOUAL-CQSZACIVSA-N 380.474 0.980 0 50 GCAA NC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299775438 JTNNFSCEPXYOFS-KBPBESRZSA-N 378.414 0.303 0 50 GCAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426690498 BTSPHQJBCPWDCX-MRXNPFEDSA-N 381.440 0.800 0 50 GCAA COC(=O)c1cn([C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)cc2c(O)nnc1-2 888090008 VUMLHMHDBDRPRN-BREBYQMCSA-N 392.393 0.563 0 50 GCAA CCc1nn2c(=O)cc(CN3CCC4(CC3)CN(C(C)=O)CCO4)nc2s1 952969563 AAKTYMPXQXXNNU-UHFFFAOYSA-N 391.497 0.927 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)n2ncnc2n1 952985680 XNTISCFSOPMWAU-CQSZACIVSA-N 384.440 0.957 0 50 GCAA COCC(=O)N1CCN(Cc2nc3ccc(C)cc3[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1565513942 QPHLPVNIXCSSBM-CVEARBPZSA-N 392.481 0.328 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCn1cnc2ccccc21 1704340032 DAQOEQMWGKDSEX-ZFWWWQNUSA-N 380.470 0.449 0 50 GCAA Cc1ccc2nc(C(=O)N3C[C@H]4[C@@H](N(C)C)CS(=O)(=O)[C@H]4C3)c(F)n2c1 1857689249 LABFOGZFRSLTML-AVGNSLFASA-N 380.445 0.581 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)c2ccccc21 1857691438 LHHMPSSJXAPWBB-IUPKNAOTSA-N 377.466 0.647 0 50 GCAA COc1ccc(C2(C(=O)N3C[C@H]4[C@H](N(C)C)CS(=O)(=O)[C@H]4C3)CC2)cc1 1857717812 ZHSIQDFHAUITAL-BBWFWOEESA-N 378.494 0.912 0 50 GCAA Cc1cc2[nH]c(CN3C[C@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)cc(=O)n2n1 1857718286 RRSBLWCZFYESGM-HRQSHJORSA-N 380.448 0.900 0 50 GCAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c(OC)n1 1857722633 KVZGBIIMBWEPRM-RDBSUJKOSA-N 392.456 0.149 0 50 GCAA C[C@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCCNC1 2325896946 KWUOIRIWPMSNTR-KKSFZXQISA-N 398.463 0.567 0 50 GCAA CC(C)n1ncnc1CN1CC2(C[C@@H](NC(=O)Cn3cccn3)c3nccn32)C1 2332237539 AHEFSHKHXGENQX-OAHLLOKOSA-N 395.471 0.724 0 50 GCAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1cc(=O)n2[nH]cnc2n1 2356169144 MLISXPAOXYDOGZ-FQEVSTJZSA-N 393.451 0.970 0 50 GCAA CN(Cc1ccn(C)n1)C(=O)c1cn(C)nc1C(=O)N(C)Cc1ccn(C)n1 20617101 LDGQWZZIMGPPEY-UHFFFAOYSA-N 384.444 0.432 0 50 GCAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N(CCO)CCO 71589628 XPXDLPNBOZDHMW-IBGZPJMESA-N 390.528 0.571 0 50 GCAA CNc1ccnc(N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 71762173 KMVSHGBJAJZFEB-OAHLLOKOSA-N 376.505 0.962 0 50 GCAA COc1ccccc1-n1cc(CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72456779 PMZPGHKABMOLLH-SJORKVTESA-N 376.482 0.794 0 50 GCAA O=C(CN1CCC[C@H](O)C1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91326151 NRLSQHIRHJJAAU-SFHVURJKSA-N 389.500 0.488 0 50 GCAA CCN1CCN(C[C@@H](O)COc2cccc(CN3CCN(C)C(=O)C3)c2)CC1 95523684 IXFGFSSCLKAPQB-LJQANCHMSA-N 390.528 0.338 0 50 GCAA Cc1ncc(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)c(=O)[nH]1 96138302 WUZPVBXAHWKPFH-UHFFFAOYSA-N 385.472 0.822 0 50 GCAA COC(=O)Cc1occc1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 242047851 VQQJPELYPPYAFV-UHFFFAOYSA-N 377.441 0.765 0 50 GCAA CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 408257958 UARPBFXCSPATNE-QKPAOTATSA-N 386.495 0.735 0 50 GCAA COCCN(CCOc1ccccc1F)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 952972669 GGSXCRFQYOYMAO-ZDUSSCGKSA-N 395.474 0.670 0 50 GCAA N=c1ccnc(N2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)[nH]1 1857710594 GGEWUGGOBYLUIA-IBGZPJMESA-N 383.456 0.706 0 50 GCAA Cc1nc(C)c(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c(O)n1 1857717936 GRSBNTFFAHIJRF-WMZOPIPTSA-N 388.472 0.605 0 50 GCAA O=C1NC(=O)[C@]2(CCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328603 AXBNPAGHXYPSFX-KBXCAEBGSA-N 391.449 0.873 0 50 GCAA CN1C[C@@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)c1cn[nH]c1)C2 1875395549 DNVTXGILQQZQSL-HNNXBMFYSA-N 383.456 0.208 0 50 GCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nn(C)c4c3COCC4)C2)n1 1875397348 WWWSWIVKYGUKOD-CQSZACIVSA-N 399.499 0.628 0 50 GCAA C[C@@H]1CN(C(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C[C@H]1C(=O)O 2325896971 LNMKRBLQCPPESK-WDBKCZKBSA-N 399.403 0.240 0 50 GCAA COCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(S(N)(=O)=O)cc2)C1=O 2356161519 YHYNEWJOHDPAMR-GOSISDBHSA-N 395.481 0.578 0 50 GCAA COc1ccc(CN2C(=O)O[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)cc1OC 12439947 KGJBQYYMHVIZFQ-SWLSCSKDSA-N 385.442 0.515 0 50 GCAA Cc1c(C(N)=O)sc(NC(=O)CN2CCN(C)CC2)c1C(=O)OC(C)C 23095774 YAWAIHSSZBHDQM-UHFFFAOYSA-N 382.486 0.907 0 50 GCAA CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67880719 ZOZAVUKNDMLXKA-SECBINFHSA-N 376.456 0.870 0 50 GCAA CN1CCN(c2cc(N3CCN(C(=O)COc4ccccc4)CC3)ncn2)CC1 72438136 HYTFGBNCDHOOAN-UHFFFAOYSA-N 396.495 0.956 0 50 GCAA Cc1nnnn1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 82138517 DBKPZWNETXIHMY-GOSISDBHSA-N 377.493 0.164 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 91951972 XPTJCNRPMAMCAW-IAGOWNOFSA-N 375.469 0.733 0 50 GCAA COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c(=O)c2cc1OC 95908842 SOPCVLMNPKFJKQ-CQSZACIVSA-N 388.424 0.768 0 50 GCAA CN1CCCN(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)CC1 223967613 CSKHYYLPLFACKX-RTBURBONSA-N 377.485 0.469 0 50 GCAA CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)cn1 262546091 WBGBTPWHAIQPQK-UHFFFAOYSA-N 398.466 0.809 0 50 GCAA Cc1nc(CN2CCC(CNC(=O)CN3C(=O)CN(C)C3=O)CC2)oc1C 264697263 JCGUZUANONDMLG-UHFFFAOYSA-N 377.445 0.514 0 50 GCAA O=C(NCC(=O)N1CCc2ccccc2C1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 275305942 NGWBSCQNKRJZOQ-MOPGFXCFSA-N 394.431 0.658 0 50 GCAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(C(=O)NC)cc1)C2 275360721 VNOUBXUWTXIMIA-UHFFFAOYSA-N 376.438 0.370 0 50 GCAA CCn1cnnc1[C@H]1CN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CCO1 369226101 SHNINSWBUBFMSQ-OAHLLOKOSA-N 392.485 0.959 0 50 GCAA CO[C@H](C)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 1875307290 MSQKDOXVHITRKB-CXAGYDPISA-N 380.466 0.972 0 50 GCAA C=CC(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 1875365689 OWDLXSHWZWQHOP-UHFFFAOYSA-N 384.480 0.876 0 50 GCAA Cc1nn(C)cc1CNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)Cc2cccc(F)c2)C1 1940197908 AQWGULWCBRDNEL-WBAXXEDZSA-N 388.443 0.982 0 50 GCAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)CCc2nc(O)n[nH]2)CCCCN1 2100534071 SCDJOYOFAPAAFY-HNNXBMFYSA-N 392.504 0.816 0 50 GCAA COCC1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)CCC2CC2)CC1 2332237726 JHUGDAPFHHSLRB-HZPDHXFCSA-N 386.514 0.591 0 50 GCAA Cn1ccc(CC(=O)N[C@@H]2CC3(CN(C(=O)[C@@]4(C)CCOC4)C3)n3ccnc32)n1 2332237996 UBIZWZULXYHFBA-BEFAXECRSA-N 398.467 0.384 0 50 GCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)CN2C1=O 14749838 VBVNUTNWQWWVTO-MPZLTGKNSA-N 386.235 0.572 0 50 GCAA CCCN1CCN(C(=O)c2ccc(C(=O)OC)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77303330 UJUDFCLQRJFBPR-CVEARBPZSA-N 380.466 0.807 0 50 GCAA Cc1nn(CC(=O)NCc2nnnn2-c2ccccc2)c(=O)c2ccccc12 91664163 KTWUTUPHGXDCQY-UHFFFAOYSA-N 375.392 0.997 0 50 GCAA Cc1nnnn1Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)cc1 91872537 NRWVPFQNQYXMMY-RTBURBONSA-N 384.484 0.806 0 50 GCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1cccc(S(=O)(=O)N2CCSCC2)c1 97766825 SMIYSCUKFPDJHV-KBPBESRZSA-N 387.502 0.854 0 50 GCAA O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 223217148 YQEKIHJCCFOMPK-UONOGXRCSA-N 379.438 0.191 0 50 GCAA O=C(O)CNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 238170268 ZQRUMTWRPBVLCN-UHFFFAOYSA-N 388.237 0.907 0 50 GCAA CC(C)NS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccccc2)CC1 252494632 OAMYYVSFHQEROA-UHFFFAOYSA-N 375.516 0.321 0 50 GCAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)CC1 262941377 HSTWHCWOSLEJFI-UHFFFAOYSA-N 390.440 0.762 0 50 GCAA CN1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)C[C@H]1c1nccn1C 287910546 HVGAQRWSPNVZMM-AWEZNQCLSA-N 392.485 0.266 0 50 GCAA Cn1cc(CN(Cc2nc(C(C)(C)C)no2)[C@@H]2CCNC2)c(=O)n(C)c1=O 328604152 IQGALRUNPWEQGA-CYBMUJFWSA-N 376.461 0.129 0 50 GCAA C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@]2(CCO[C@@H]2C)O1 366151260 IYJKZCYMTYOXJI-CPUCHLNUSA-N 398.485 0.338 0 50 GCAA O=C(CN1CCN([C@H]2CCOC2)CC1)NCC1(N2CCOCC2)CCCCC1 378402842 WSTJSEWMGYJGQS-IBGZPJMESA-N 394.560 0.544 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cn[nH]c3)CC2)cc1 629943244 GGWGKDXALVKYJM-UHFFFAOYSA-N 378.454 0.884 0 50 GCAA O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Oc2nn[nH]n2)cc1 952986878 GOWDCPDZKIVEMR-UHFFFAOYSA-N 379.340 0.985 0 50 GCAA Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)cn1 1565512362 ZLZBRQDAZVYVGP-OLZOCXBDSA-N 376.442 0.135 0 50 GCAA O=C(CCO)N[C@@H]1CCC[C@@H](NC(=O)CN2CCOc3ccccc3C2)C1 1857675506 BCISTAXALBSKJD-IAGOWNOFSA-N 375.469 0.807 0 50 GCAA O=C(Cc1cccnc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(C3CCOCC3)C[C@@H]12 1857693675 HAQANYXIJFKPEJ-BBWFWOEESA-N 379.482 0.017 0 50 GCAA COc1ccccc1-c1nnc2n1C[C@]1(CCN(C(=O)CNC(C)=O)C1)OC2 1857698728 GFVAYJKUHBULHO-LJQANCHMSA-N 385.424 0.591 0 50 GCAA CN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)Cc3ccccc3F)[C@H](O)C2)CC1 1857716183 AIBUDOWVXPQOEW-CGTJXYLNSA-N 377.460 0.788 0 50 GCAA O=C([C@@H]1CCOC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857725702 IYGYGEINIUMTNU-CQSZACIVSA-N 388.468 0.862 0 50 GCAA O=C(Cn1cnnn1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857728245 TXHTZABBNIDGAT-HKUYNNGSSA-N 386.456 0.099 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1O)c1ccncc1F 1875245625 IUIANHICEOPEAL-APHBMKBZSA-N 375.404 0.493 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)n1 1875247300 YYVJMUIVNGKXLM-OLZOCXBDSA-N 386.408 0.651 0 50 GCAA Cc1nc(CC(=O)N2CC3(CN(C)C[C@H]3c3ccnc(N4CCCC4)n3)C2)n[nH]1 1875396137 WWIDKUMCSSFBKP-HNNXBMFYSA-N 396.499 0.604 0 50 GCAA Cc1ncc(C(=O)N2CCO[C@@H]3CC[C@H](C(=O)N4CCC(O)CC4)C[C@H]32)cn1 2100534540 NBMHZQRCQMBWFZ-BMGDILEWSA-N 388.468 0.778 0 50 GCAA C[C@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCNC1 2325896923 KMAKSTNTNIPYDI-QRWLVFNGSA-N 384.436 0.177 0 50 GCAA CCS(=O)(=O)N1CCO[C@@H]2CC[C@H](C(=O)NCc3nnc4n3CCC4)C[C@H]21 2356150313 WQFKEHGUUPGGEI-BFHYXJOUSA-N 397.501 0.060 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOc2cccnc2)c1 12191901 ABCYNOXLDXYCCG-IBGZPJMESA-N 398.463 0.976 0 50 GCAA CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2CN2CCOCC2)CC1 22101236 WAQOVUSPJAKOOE-UHFFFAOYSA-N 395.525 0.807 0 50 GCAA O=C(O)COc1ccccc1CN1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72410197 JCBCMETUEIPOLB-SJORKVTESA-N 394.493 0.843 0 50 GCAA CC(C)CN1CCN(C(=O)C(=O)Nc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72476199 UBQDBPFDBBCYJT-CVEARBPZSA-N 379.482 0.591 0 50 GCAA CSc1nnc(CC2CCN(C(=O)c3cn[nH]c3-n3cnnn3)CC2)n1C 82133568 IXMOWOVJFJFINF-UHFFFAOYSA-N 388.461 0.331 0 50 GCAA COCCN1CCN(C(=O)c2ccc3ncccc3c2)[C@H]2CS(=O)(=O)C[C@H]21 82166519 FGNXUIHCSCKPHZ-MSOLQXFVSA-N 389.477 0.805 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@]2(C(=O)O)C1 96161074 ZRVGAFFZKTZZTL-YJBOKZPZSA-N 380.466 0.814 0 50 GCAA Cn1c(CN2CCOCC2)nnc1C1CCN(c2ncnc3[nH]cnc23)CC1 96162836 DJMMNHYTFBQJOY-UHFFFAOYSA-N 383.460 0.698 0 50 GCAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCN4CCNCC4)c(=O)n1c23 100663149 AZEVWJOYWRRDRW-LBPRGKRZSA-N 388.443 0.988 0 50 GCAA Cn1ncnc1[C@H]1C2=c3c(cc(F)cc3=N[C@H]1c1ccc(F)cc1)C(=O)NN2 198650500 IUEWAGVJRJORLA-CVEARBPZSA-N 380.358 0.608 0 50 GCAA in-vitro Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 219872729 PNESDKQROLEXAY-GHJWDPDVSA-N 378.454 0.618 0 50 GCAA CCn1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NCCOC)n1 239174148 PJNFZMTTYSKUHV-CDGCEXEKSA-N 376.413 0.741 0 50 GCAA NC(=O)c1ccc(N2CCN(C(=O)c3ccnc(NC(=O)C4CC4)c3)CC2)nc1 287060311 HHYOYBBPZQEEAA-UHFFFAOYSA-N 394.435 0.886 0 50 GCAA COc1cccc(-n2cc(C(=O)N3CCC[C@H](S(=O)(=O)N(C)C)C3)nn2)c1 296313675 SWAKNBJFNOWCPW-HNNXBMFYSA-N 393.469 0.772 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(=O)c2ccccc2o1 1704339627 UAUNBORGRYNFCV-WCQYABFASA-N 380.422 0.429 0 50 GCAA O=C(CCc1cccnc1)N1C[C@H]2CN(C(=O)C3CCOCC3)C[C@]2(CO)C1 1772709728 MJRTZHSNRVGVLU-RXVVDRJESA-N 387.480 0.720 0 50 GCAA O=C(C1CCOCC1)N1C[C@H]2CN(CCn3cc(Cl)cn3)C[C@@]2(CO)C1 1772710341 QCFXKIIYANIYSH-QAPCUYQASA-N 382.892 0.716 0 50 GCAA Cc1nsnc1C(=O)N1C[C@H]2CN(c3nccc(N)n3)C[C@]2(CN(C)C)C1 1772805972 SEGNQZDFWSAWNW-SJCJKPOMSA-N 388.501 0.359 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)nc1)c1ccc(F)cc1 1772808369 OEMDSUGXGWPXEM-ZIAGYGMSSA-N 393.396 0.252 0 50 GCAA NCc1nc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)co1 1857671987 BFACBNGXQZWELN-QWRGUYRKSA-N 378.410 0.087 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3ccccc3-c3nc[nH]n3)CCO2)n1 1857716555 DACBLCTXASPLJS-CQSZACIVSA-N 384.400 0.318 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)N3CCC4(CC3)CNC(=O)O4)CC2=O)s1 1857739183 FHVPVDAQVSCAHO-NSHDSACASA-N 393.469 0.945 0 50 GCAA Cc1ncc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3c(C)noc3C)CC[C@H]2O)cn1 1875244149 ARAPDJWKWTVFJA-IAOVAPTHSA-N 387.440 0.966 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(CCN(C)C)cc1)C2 1875396142 WYENVFPGMBZHDZ-MRXNPFEDSA-N 393.509 0.166 0 50 GCAA CN(C)C(=O)CN1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 55036582 YDFWWJJLJZAJNQ-UHFFFAOYSA-N 396.455 0.835 0 50 GCAA CCc1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCNC3)c2)on1 95359022 DWPHHLWLXDMUPA-CQSZACIVSA-N 378.454 0.807 0 50 GCAA CO[C@H]1C[C@H](C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)N(C(=O)OC(C)(C)C)C1 170611209 SUHVKIIUPWUACS-YNEHKIRRSA-N 383.445 0.663 0 50 GCAA CC(C)c1cc(C(=O)N2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)no1 213028981 FDMDKSPFWVQIFZ-OLZOCXBDSA-N 384.458 0.403 0 50 GCAA CC(C)C1CCN(c2nccc(N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)n2)CC1 216188564 VSSSIKIQRHYCBU-CVEARBPZSA-N 379.530 0.924 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC[C@@H](O)CC1)CC2 243893145 AOJVKLGSFJYPII-GASCZTMLSA-N 390.484 0.810 0 50 GCAA C[C@H]1CCCC[C@@]1(CN)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 262902445 PUJJNUKUWOHDBK-QFYYESIMSA-N 381.458 0.220 0 50 GCAA COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1OC 265421128 PLVNKDAWQDVLFK-CQSZACIVSA-N 375.425 0.703 0 50 GCAA COC(=O)c1cc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc(S(C)(=O)=O)c1 268399800 YUHSZYMHSZXFCS-AAEUAGOBSA-N 399.425 0.031 0 50 GCAA COc1cccc(-c2cccc(C(=O)N3CCN(S(N)(=O)=O)CC3)c2)n1 299759546 OKUMVECJMFFHST-UHFFFAOYSA-N 376.438 0.719 0 50 GCAA NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2nnnn2CC2CCOCC2)C1 375946291 GTXWXMRIXWUKJJ-NEPJUHHUSA-N 376.383 0.728 0 50 GCAA O=C(CCn1cncn1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426477345 GVXXGOQDNWXVFU-QGZVFWFLSA-N 390.488 0.029 0 50 GCAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCCN(Cc3cccs3)CC2)C1 952969863 DEQWRHASVIFLFP-AWEZNQCLSA-N 378.541 0.773 0 50 GCAA C[C@@]1(NC(=O)C2CC2)CCOC2(CCN(C(=O)c3ccncc3O)CC2)[C@H]1O 1704312801 ZOFVGDKMMNFREI-RBUKOAKNSA-N 389.452 0.828 0 50 GCAA CC(=O)NCC(=O)N[C@]1(C)CCOC2(CCN(c3nccs3)CC2)[C@H]1O 1772709428 PUULOSDIORBOJX-GOEBONIOSA-N 382.486 0.274 0 50 GCAA Cn1ccnc1CN1CC[C@@]2(C1)CN(c1cc(-n3cccn3)ncn1)CCO2 1857685476 KSHQDLABWUKPLQ-LJQANCHMSA-N 380.456 0.877 0 50 GCAA Cn1nc(CN[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)cc1-c1ccco1 1875397461 AVPUBOYFODMOQR-ZDUSSCGKSA-N 384.440 0.446 0 50 GCAA O=C([C@@H]1Cc2nncn2C1)N1CC[C@H](NC(=O)[C@H]2CC[C@H](OC(F)F)CC2)C1 2325872683 JHHZZNHKWQTQSQ-YIYPIFLZSA-N 397.426 0.966 0 50 GCAA COCCS(=O)(=O)c1ncc(CN(C)C[C@H](O)CO)n1Cc1ccccc1 11819510 RGGZHXCOYDBEJE-KRWDZBQOSA-N 397.497 0.137 0 50 GCAA CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 16651060 REDNWFXGPVNLCP-UHFFFAOYSA-N 381.498 0.414 0 50 GCAA COC(=O)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 39398961 VLPUVRFEJJHWPM-HNNXBMFYSA-N 385.486 0.851 0 50 GCAA Cc1nc(N)sc1C(=O)N1C[C@@H](CO)C[C@H](CN2CCCN(C)CC2)C1 91655844 YEMCXTSITAWSRY-CABCVRRESA-N 381.546 0.742 0 50 GCAA Cn1cccc1-c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)[nH]n1 91933065 KUNLTRGIBMXHTK-QWHCGFSZSA-N 377.470 0.911 0 50 GCAA CN(C)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 170613214 NUKOMCVYJPOOFB-GJZGRUSLSA-N 375.516 0.891 0 50 GCAA COC(=O)[C@H](CCSC)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 170625440 QKNQURLZUKLWEG-STQMWFEESA-N 379.438 0.538 0 50 GCAA biogenic O=C1CCCc2cc(S(=O)(=O)N3CCN([C@@H]4CCNC4)CC3)ccc2N1 376723942 PWBMANNZRZGKNR-OAHLLOKOSA-N 378.498 0.630 0 50 GCAA O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 593074642 PPJIKWIXSTXFTF-CQSZACIVSA-N 377.408 0.722 0 50 GCAA CCCS(=O)(=O)N1CCOC2(CCN(C(=O)c3cn(C)nc3C)CC2)C1 822992449 URBAUIYBOUJOGS-UHFFFAOYSA-N 384.502 0.775 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)NCc1nncn1CCc1ccccc1 824371089 VJZHFAWPSKSBJD-INIZCTEOSA-N 379.486 0.966 0 50 GCAA COC[C@@H]1CN(c2ncnc3c2ncn3CC2(CO)CCOCC2)C[C@@H](C)O1 888097894 SGBLWLPBEJWZLF-CABCVRRESA-N 391.472 0.856 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)COc3ccc(-n4cnnn4)cc3)C[C@@H]2O)n[nH]1 1529147443 ZNDKCTUWGVPTQT-DYVFJYSZSA-N 383.412 0.135 0 50 GCAA CN1CCCC[C@@H]1CCC(=O)N1CCCN(CC(=O)N2CCOCC2)CC1 1529172023 FXFOPUSWYMVACR-GOSISDBHSA-N 380.533 0.644 0 50 GCAA Cc1nnnn1CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565507830 OAWNDYHOBYWMIW-GJZGRUSLSA-N 375.385 0.423 0 50 GCAA COC1CCN(C(=O)[C@]23CCCCN2C[C@@H](NC(=O)c2cn[nH]c2)C3)CC1 1857706897 ASSLCPDLDAWEQD-HNAYVOBHSA-N 375.473 0.774 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)N(C)Cc3nc(C)no3)CC2=O)s1 1857722762 NFLFOQVQDVMQAD-JTQLQIEISA-N 380.430 0.778 0 50 GCAA CCOc1ccnc(N2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)n1 1875243753 VVKAIJMRDSUMEV-NRTGNBEESA-N 375.473 0.537 0 50 GCAA COCCCn1cc(CCOCC(=O)NCc2cncc(C(=O)O)c2)nn1 1875325093 QVFIPDSKPRZINB-UHFFFAOYSA-N 377.401 0.283 0 50 GCAA CC(=O)N1CC2(C1)[C@H](C(=O)NCc1ccc3c(c1)OCCO3)CCS2(=O)=O 1875393944 VLNCQCCPGRKCED-AWEZNQCLSA-N 394.449 0.110 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cnccn2)cc1OC 2100480632 LGPUIKSAHZHWML-MSOLQXFVSA-N 386.408 0.409 0 50 GCAA Cc1nccc(N2CC[C@@]3(C2)c2ncn(C)c2CCN3C(=O)c2cn(C)nn2)n1 2325776982 VDQPSOMAFZLQPD-LJQANCHMSA-N 393.455 0.451 0 50 GCAA NC(=O)c1ccc(NC(=O)CCN2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 65403605 XSOWOIONOBAAHJ-KRWDZBQOSA-N 388.468 0.827 0 50 GCAA CCn1c(C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nn(C)c1=O 67741459 MTRQBKXMXXCVKF-UHFFFAOYSA-N 392.441 0.706 0 50 GCAA COCC(=O)N1CCN(C)C[C@@H]1C(=O)N(C)Cc1nc(-c2ccccc2)no1 72478633 TYMSGYRFMOJOJD-OAHLLOKOSA-N 387.440 0.484 0 50 GCAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCNC(=O)C3)[C@H]4C2=O)c1 77406534 ZNJDCRBCONETRC-FUOQNJDISA-N 395.459 0.544 0 50 GCAA O=C(c1nc2ncccn2n1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91505084 DHSPBQITGQALBC-DZGCQCFKSA-N 377.408 0.783 0 50 GCAA COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccccc3N(C)C)C[C@@H]2C1 91663434 XMNOMPINMGCNTI-YWZLYKJASA-N 375.469 0.825 0 50 GCAA COCC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncnc(C)c3C)CC2)C1 95361320 UUZIGJVJXPBHJS-MRXNPFEDSA-N 375.473 0.627 0 50 GCAA CC1(CNS(=O)(=O)c2cccc(C(=O)NCCn3cccn3)c2)COC1 95376608 WXOSQXMPISADAA-UHFFFAOYSA-N 378.454 0.628 0 50 GCAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)Cn1ncc(N2CCCCC2)cc1=O 95526994 SKGXFCZACQVZNJ-SFHVURJKSA-N 375.473 0.559 0 50 GCAA COC1CCN(C(=O)c2cccc(S(=O)(=O)NCC(=O)N(C)C)c2)CC1 216010572 VFRVXNWIDVOSBZ-UHFFFAOYSA-N 383.470 0.304 0 50 GCAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CN2CCCCC2=O)cc1 219385234 RGEKCSJFMPDSMK-HZPDHXFCSA-N 375.425 0.451 0 50 GCAA Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 248003680 OUKPULRSQBWQHI-WQVCFCJDSA-N 396.513 0.288 0 50 GCAA CCn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](N4CCNCC4)C3)ccc21 262335220 SBVZWLBJERQNGE-CYBMUJFWSA-N 380.470 0.283 0 50 GCAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H]2C(=O)O)c1 269084007 KVYSJNFKKASBDK-SNVBAGLBSA-N 377.216 0.786 0 50 GCAA O=C(c1ccnc(OCC(F)F)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 270191020 CHGCGMOKMWTHGI-CYBMUJFWSA-N 389.424 0.670 0 50 GCAA Cc1ccccc1CC(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 328608502 ZDNCXYHOGNUBER-HNNXBMFYSA-N 384.454 0.111 0 50 GCAA COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1=O 332782582 ZBTGLVVYSKCQLE-STQMWFEESA-N 393.827 0.875 0 50 GCAA CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)CC1 375753489 LEKFPWAMWRRJSY-HUUCEWRRSA-N 386.518 0.451 0 50 GCAA Cc1ccc(C)c(OCC(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1C 1529101641 JFCRNXYNCILVLJ-JKSUJKDBSA-N 384.498 0.701 0 50 GCAA O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 1565513857 KZYYJQHARVFPBT-STQMWFEESA-N 389.431 0.403 0 50 GCAA O=C(O)c1cnc(N2C[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@]3(CO)C2)cn1 1772817342 CHDVYTGZQXWRTP-ZUOKHONESA-N 394.435 0.982 0 50 GCAA NC(=O)CNC(=O)c1cc2c(s1)C1(CCN(Cc3ncc[nH]3)CC1)OCC2 1857705707 RTYIFECMJUGMNP-UHFFFAOYSA-N 389.481 0.750 0 50 GCAA COCCn1nnc([C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)CCO2)n1 1857719641 QJIZIQSJRDLOMS-AWEZNQCLSA-N 383.430 0.090 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(O)c4cccc(F)c4n3)C[C@@H]12 1857723943 DMGLFWHNHSQLNS-PEYYIBSZSA-N 393.440 0.879 0 50 GCAA COc1cc(CCC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)cc(OC)c1OC 1857725445 XEPSXMUQUNXEGH-KGLIPLIRSA-N 378.425 0.618 0 50 GCAA Cn1nc(CN2CCOC[C@H]2C[C@@H]2CCOC2)c(S(N)(=O)=O)c1Cl 1875406232 ZTXBVULZBQXWPT-WDEREUQCSA-N 378.882 0.348 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCc2cn3ccncc3n2)C[C@@H]1O)c1cscn1 2100477573 BNFLQLXGXHYMAE-JKOKRWQUSA-N 386.437 0.372 0 50 GCAA O=C(CCc1cccnc1)N[C@@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@H]1O 2100540821 RKZSFKRIGRFWAU-RCCFBDPRSA-N 385.468 0.673 0 50 GCAA Cc1ccccc1OC[C@H](O)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 629365 XLDNYYUIPIONLH-CQSZACIVSA-N 399.451 0.772 0 50 GCAA Cn1ccc(NC(=O)CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 71749297 KUGGASOHYALYDQ-HNNXBMFYSA-N 388.516 0.814 0 50 GCAA COCCN1CC[C@@]2(CCC1=O)CN(c1nccc(N(C)C)n1)CCN2C 95368661 QBFWILASWQLLFG-IBGZPJMESA-N 376.505 0.692 0 50 GCAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)CNC(=O)N(C)C)C[C@H]21 95499183 BGRQVFYAWCHBDT-FZKQIMNGSA-N 377.397 0.356 0 50 GCAA CN1CCN(C(=O)CC[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)CC1 95501315 OBJYDHCWVPUWBB-OAHLLOKOSA-N 383.518 0.375 0 50 GCAA COc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c(OC)c1 96166955 IIGRVGJYTZNPSY-CXAGYDPISA-N 384.454 0.482 0 50 GCAA C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC3CCOCC3)c2)CCN1 215256351 AEJPJBNSWXNSTH-CQSZACIVSA-N 381.498 0.825 0 50 GCAA COc1cccc([C@H]2CN(C(=O)CNC(=O)N(C)C)C[C@@H]2C(=O)O)c1OC 220272160 KYEBVZXMRHBVBN-OLZOCXBDSA-N 379.413 0.602 0 50 GCAA CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1C 244874904 XJKAGWQUNAGOEQ-QZTJIDSGSA-N 385.468 0.849 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CCC(=O)Nc1cccnc1)C2 247974153 VUNIHTKMOUOEKO-HOCLYGCPSA-N 381.502 0.613 0 50 GCAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 265831371 CNKOBFDEMYGFFT-MSOLQXFVSA-N 395.525 0.818 0 50 GCAA COc1cc(OC)cc(N2C[C@@H](C(=O)NCCN3CCN(C)CC3)CC2=O)c1 267789070 XXMNRYPDYYVJOQ-HNNXBMFYSA-N 390.484 0.420 0 50 GCAA COCCOC[C@H](O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 952892160 KVQDCNKWSXSVOE-QGZVFWFLSA-N 380.489 0.517 0 50 GCAA Nc1nc(N2CCC(CNC(=O)CCCn3cncn3)CC2)c2nc[nH]c2n1 952976221 FAPWICXJOHYCJI-UHFFFAOYSA-N 384.448 0.340 0 50 GCAA COc1ncncc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1875278951 GAMHUBBJQIYGHA-WPRPVWTQSA-N 397.379 0.771 0 50 GCAA CCOCC(=O)N1CC[C@@H](N(C)c2cc(C3CC3)nc(S(C)(=O)=O)n2)C1 1875330128 MSMVSVVFYKPPHH-CYBMUJFWSA-N 382.486 0.831 0 50 GCAA CCn1cc(C(=O)N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCCC4)n3)C2)nn1 1875395743 KRPIEGMFGFRSNJ-OAHLLOKOSA-N 396.499 0.860 0 50 GCAA Cc1cnn(-c2cccc(=N[C@H]3CCN(c4cc(=O)n(C)c(=O)n4C)C3)[nH]2)c1 1875399153 QEMKRTNWZLXBHN-AWEZNQCLSA-N 381.440 0.086 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NC[C@H]4CCCCCN4)cccc3C2=O)C(=O)N1 2325895712 HJDXFMVYFKGBLB-DYVFJYSZSA-N 398.463 0.710 0 50 GCAA Cc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)nn1C 2732309 WTMHTLCBUVZQKF-CQSZACIVSA-N 394.501 0.488 0 50 GCAA COC(=O)CCN1C[C@H](OCc2ccncc2)CN(C(=O)CSC)CC1=O 14745223 ADKRZSOHAIWZDT-HNNXBMFYSA-N 395.481 0.564 0 50 GCAA C[C@H]1CN(C2(C(=O)NCCN3CCNC3=O)Cc3ccccc3C2)C[C@@H](C)O1 15066912 DYVVLHBQOZOGTB-IYBDPMFKSA-N 386.496 0.775 0 50 GCAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cn(CCN2CCOCC2)nn1 20776911 LSDGASIFMCDRGS-SFHVURJKSA-N 395.467 0.978 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(O)CC2)c1OC 72121891 SKTHPWNCWOIFDK-INIZCTEOSA-N 391.468 0.378 0 50 GCAA O=C(O)CN1CCN(Cc2ccc(Cl)cc2F)[C@H]2CS(=O)(=O)C[C@H]21 77439561 KGDONKDUKWZAAD-UONOGXRCSA-N 376.837 0.847 0 50 GCAA O=C(CCC1CC1)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 222350723 QWONWSTXDDUOGV-CVEARBPZSA-N 377.466 0.722 0 50 GCAA C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CC(=O)O)C1CCN(S(C)(=O)=O)CC1 328640824 QFJJJOHNVIRRFK-SJCJKPOMSA-N 396.465 0.888 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2OCCCN)CC1 426424400 SRXPSHWZOQPHLK-UHFFFAOYSA-N 375.878 0.785 0 50 GCAA Cc1cc(-c2cc(S(=O)(=O)NCCN(C)S(C)(=O)=O)c(C)s2)n[nH]1 1506413766 MGBKIRMEMCYVIG-UHFFFAOYSA-N 392.528 0.925 0 50 GCAA O=C(c1cnc(O)[nH]1)N1CC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1779645583 HCDRHPXTXBKHMI-NRFANRHFSA-N 396.447 0.974 0 50 GCAA CN(C)S(=O)(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cccc(F)c3)C2)C1 1857684444 OCIGKLZWKSMJMJ-GOSISDBHSA-N 399.488 0.868 0 50 GCAA COC(=O)c1cc(OC)cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1 1857728442 BOKSCHINHPUTOA-JYJNAYRXSA-N 378.425 0.436 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)N3CCC4(CC3)CNCCO4)CC2=O)s1 1857734743 PKDOTPSGJWMNCB-CYBMUJFWSA-N 393.513 0.825 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1875241694 WGXRFWXDAUXBTK-WBVHZDCISA-N 375.450 0.977 0 50 GCAA CCOC(=O)[C@]1(F)CN(C(=O)N2CCOC[C@H]2c2cnn(C)c2)CC12COC2 1875318616 JIBBWQGDLPQUCF-KBXCAEBGSA-N 396.419 0.517 0 50 GCAA CCc1cnc(CN(C)C(=O)[C@@H]2c3cnn(C)c3CCN2S(C)(=O)=O)s1 1875393817 UIDBXZHEKPXDEG-HNNXBMFYSA-N 397.526 0.956 0 50 GCAA Cc1cc(C)n(CCC(=O)N[C@H]2C[C@H](C(=O)NCc3cccnc3)C[C@@H]2O)n1 2100483066 PIYDNSJTQQKMPK-BZSNNMDCSA-N 385.468 0.857 0 50 GCAA Cc1c(NC(=O)[C@H](C)N2CCN(CCN)CC2)c(=O)n(-c2ccccc2)n1C 2325777269 QMJBMCXEEGYQFQ-INIZCTEOSA-N 386.500 0.388 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NCC[C@@H]4CCCN4)cccc3C2=O)C(=O)N1 2325895558 DAQNTFDESUYEIO-BLLLJJGKSA-N 384.436 0.320 0 50 GCAA CC(C)(CC(=O)O)NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896584 AJZZBTJJTZDBQU-ZDUSSCGKSA-N 387.392 0.431 0 50 GCAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@@H]2SC1 2783601 RCWXWLSUEJWAIA-UFBFGSQYSA-N 390.343 0.811 0 50 GCAA CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O 13516498 NVGDLMUKSMHEQT-FRJWGUMJSA-N 399.300 0.339 0 50 GCAA in-vitro Cn1c(=O)c2[nH]c(-[n+]3ccc(C(=O)NCc4ccccc4)cc3)nc2n(C)c1=O 16134109 BKWKOBUNOQXFGH-UHFFFAOYSA-O 391.411 0.167 0 50 GCAA CCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 19527831 RHRCSNWBMAPPFH-UHFFFAOYSA-N 385.486 0.634 0 50 GCAA Cc1csc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 67446969 PHYLITDMSFUECU-OAHLLOKOSA-N 380.514 0.981 0 50 GCAA CCCN1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72419507 SLXIKUJDTJRYGH-SJORKVTESA-N 389.477 0.862 0 50 GCAA CN1CCC(N(CCc2ccccc2)C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1 72425384 YFVKEABMBCIHFE-UHFFFAOYSA-N 384.480 0.782 0 50 GCAA COCCc1noc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)n1 95369075 VWWBPNGGRWEFQA-DNVCBOLYSA-N 393.488 0.733 0 50 GCAA CC(=O)N[C@H]1[C@H](OC(C)=O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O 95495884 YEGWXAYJKBXIEJ-MGYGNFHQSA-N 393.392 0.825 0 50 GCAA O=C(CCc1ccc(=O)[nH]n1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 96139654 IHCKQIPDOKQCCU-VBKZILBWSA-N 383.404 0.867 0 50 GCAA O=C(N[C@H]1CCc2ncnn2C1)c1cccc(S(=O)(=O)NCC2CC2)c1 112662449 WTOUJZWXQMSEFE-AWEZNQCLSA-N 375.454 0.711 0 50 GCAA COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1OC 139377558 XERARAVRSPWSBM-CQSZACIVSA-N 390.440 0.450 0 50 GCAA O=C(NCCc1n[nH]c(=O)[nH]1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 220192437 FAAOUJVXTJWODI-UHFFFAOYSA-N 377.832 0.963 0 50 GCAA O=S(=O)(Nc1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 298636984 BLFCYMDKRZGRND-UHFFFAOYSA-N 383.451 0.903 0 50 GCAA O=S(=O)(CCN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)c1ccccc1 299791328 CZQPQLZADQQKCN-NQYYFHDYSA-N 381.494 0.949 0 50 GCAA CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1 408025134 OJRKOEJZPLNOPX-HNNXBMFYSA-N 388.534 0.654 0 50 GCAA O=C(Cc1cccnc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426656855 CZBXRJZLSAQNHB-LJQANCHMSA-N 386.496 0.985 0 50 GCAA CNC(=O)C[C@@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 484874225 CDUKTQLRIJCHBN-TZNWLIJBSA-N 399.447 0.533 0 50 GCAA CN(C)C[C@@]12CN(Cc3ccc(CO)o3)C[C@H]1CN(C(=O)c1ccnn1C)C2 1772810608 NCJMDSGPBHPKGK-YWZLYKJASA-N 387.484 0.641 0 50 GCAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC2(CC1)NCC(C)(C)CNC2=O 1772812641 NDJVHVNYSCSPMV-UHFFFAOYSA-N 389.500 0.838 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cnc(O)c4ccccc34)C[C@H]2CO1 1857706523 JSXOBAMMMNOMHE-KKUMJFAQSA-N 398.463 0.990 0 50 GCAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccncc4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857716609 DSNCATSAEAWSLI-QCBUCWTNSA-N 380.452 0.749 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ncc[nH]c3=O)CC(=O)N2[C@H]1c1ccccc1 1857733224 ALJJLENZLKFMKM-ZQIUZPCESA-N 396.403 0.357 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)C1 1875379388 SQDJKHJHLIWHGA-GSLFCAENSA-N 378.498 0.960 0 50 GCAA C[C@@H]1CN(C(=O)CCNC(=O)c2ccc3c[nH]nc3c2)C[C@H]1N1CCOCC1 2325737728 ZJWKOCBCOGCRKT-RDTXWAMCSA-N 385.468 0.862 0 50 GCAA CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O 3874923 HXJDWCWJDCOHDG-RYUDHWBXSA-N 391.490 0.178 0 50 GCAA in-vivo,metabolite CCc1nnc(CNC(=O)C[C@@H]2COCCN2C(=O)c2cc(C)on2)s1 72168107 ZXQZAELTHNDKCA-LLVKDONJSA-N 379.442 0.944 0 50 GCAA O=C(c1ccccn1)N1CCN(C(=O)CCC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 72480266 QWONWSTXDDUOGV-JKSUJKDBSA-N 377.466 0.722 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCC(N)=O)[C@H]4C2=O)c1 77505195 YZOVDXGNJYZRRN-DBSRCYSRSA-N 399.447 0.311 0 50 GCAA O=C(CCn1cnnn1)N1CCC2(CCN(C3CCCC3)CC2)[C@@H](CO)C1 97474963 SGOVKWKXYXZCJA-MRXNPFEDSA-N 376.505 0.929 0 50 GCAA Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H](Cc3ccccc3)C1)c(=O)n2C 125779745 QQLJVRJDRKHPSS-OAHLLOKOSA-N 381.436 0.525 0 50 GCAA O=C1O[C@@H](c2ccccc2)C[C@@H]1C(=O)N1CCn2c(nn(CC(F)F)c2=O)C1 377864932 PHDSMVCAGLSFHM-CHWSQXEVSA-N 392.362 0.957 0 50 GCAA Cn1ccnc1CN1CCN(C(=O)NCC2(CN3CCOCC3)CC2)CC1 534631107 QPFIQVAEPZDZNE-UHFFFAOYSA-N 376.505 0.360 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC(O)(CO)CC2)[C@H]1c1ccccc1 1529098609 KARKILFTZNEMGX-MSOLQXFVSA-N 376.453 0.709 0 50 GCAA CS(=O)(=O)NCCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704356912 MKDYEGCJLGIQJI-RHSMWYFYSA-N 377.466 0.848 0 50 GCAA CCCCNC(=O)N1C[C@@H]2CN(C(=O)CCc3cnccn3)C[C@@]2(CO)C1 1772817566 DRLPLMSPJWAGFD-KXBFYZLASA-N 375.473 0.672 0 50 GCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]12 1857671060 ODHCVMAXCWUCNP-UVBJJODRSA-N 375.454 0.271 0 50 GCAA O=C(Cn1ncnn1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857689299 MYINZTFINHTYDO-IBGZPJMESA-N 392.423 0.737 0 50 GCAA COC1(C(=O)NCCc2ccccn2)CCN(C(=O)c2ccn(C)c(=O)c2)CC1 1857700930 CLSJHBJTFRUZJY-UHFFFAOYSA-N 398.463 0.760 0 50 GCAA N=c1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c[nH]1 1857735565 FHGXFHFAYTUYLA-HKUYNNGSSA-N 383.452 0.804 0 50 GCAA Cn1cncc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2cc(F)ccc2F)C[C@H]1O 1875246848 BVKDQJKGYPKAMM-DRZCJDIDSA-N 378.379 0.884 0 50 GCAA CC(=O)N1CCn2ncc(-c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)c21 1875355937 HFXWXJWEDZIAEN-INIZCTEOSA-N 393.403 0.678 0 50 GCAA Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@H](C(=O)NCCO)C[C@H]1O 1940197823 UKQFVVXRCITYKS-HDMKZQKVSA-N 386.452 0.455 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1n[nH]c(C)c1Cl 2100480927 UKGWLYFNPNNJNB-QJPTWQEYSA-N 399.879 0.667 0 50 GCAA CCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 13814376 APWOPFLJBJWDIP-UHFFFAOYSA-N 382.468 0.776 0 50 GCAA COc1ccc(CN2C[C@@H](OC)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 14535074 MAOUGPVDKWVFCR-OAHLLOKOSA-N 388.424 0.147 0 50 GCAA O=C1CCCN1CCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 14975959 ISIDIIKCVZIHJC-GOSISDBHSA-N 377.485 0.471 0 50 GCAA NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 19733086 LULIGBYXNIGAHB-QGZVFWFLSA-N 387.461 0.794 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 20598869 CIFAUSNBSHCLRU-OAHLLOKOSA-N 390.484 0.801 0 50 GCAA O=C1CN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)CCN1 72164527 LDKFXNRMAQLXOU-CQSZACIVSA-N 398.385 0.354 0 50 GCAA COc1ccc([C@@H]2C[C@H](C(=O)NC[C@H]3CCCO3)N(C)S(=O)(=O)N2)cc1 72389500 VGKMOSDMXKVZKV-OWCLPIDISA-N 383.470 0.570 0 50 GCAA Nc1nc(N2CCCn3nc(CN4CCSCC4)cc3C2)cc2nncn12 72427931 LDGIOWQMAMUDNG-UHFFFAOYSA-N 385.501 0.862 0 50 GCAA Nc1nnnn1CC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91462377 MRFPJKZNQBMEQH-UHFFFAOYSA-N 384.444 0.082 0 50 GCAA Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3[nH]nc4c3CN(C)CC4)C2)no1 95502592 PLTUUDUUQNPQHI-ZDUSSCGKSA-N 386.456 0.976 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(CO)o2)CN1Cc1nccs1 96131371 SRARMJFONYTFTG-AAEUAGOBSA-N 378.454 0.737 0 50 GCAA CCN(CC)C(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96164105 FWQYPZZWZBTUOT-UHFFFAOYSA-N 378.521 0.695 0 50 GCAA COc1ccc(N2C(=O)[C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)N=C2O)cc1 252496532 PKQAODWPXRXKKN-ZWNOBZJWSA-N 381.410 0.018 0 50 GCAA NC(=O)Cn1cc(C[C@H]2NC(=O)N(Cc3ccc(F)cc3Cl)C2=O)nn1 275337736 REBSKLZVHWDLIM-GFCCVEGCSA-N 380.767 0.219 0 50 GCAA O=C([C@@H]1COCCN1CC1CCC1)N1CCC(N2CCCS2(=O)=O)CC1 334007386 URODOUANYKXJBJ-KRWDZBQOSA-N 385.530 0.514 0 50 GCAA CN(C)Cc1ccc(N2CCN(C(=O)C(C)(C)N3CCOCC3)CC2)nc1 370293487 GOXDCSTYGFNBON-UHFFFAOYSA-N 375.517 0.903 0 50 GCAA Cn1nc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ccc1=O 670443510 TWRGBLGZXRQJLL-QOSBUDKSSA-N 379.464 0.078 0 50 GCAA COc1cccc2c1OCC(CN1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1)=C2 1529195893 PLYMPCUZLZWOGB-HOTGVXAUSA-N 382.482 0.655 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2ccc(C(=O)N(C)C)nc2)ncn1 1875398490 SKZMZPZNQFTESG-HZPDHXFCSA-N 399.499 0.687 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2cc(-c3ccccc3)nn2C)N1C 1875398789 FHLDNZSABYAVTH-KDOFPFPSSA-N 394.497 0.447 0 50 GCAA O=C(CN1CCOCC1=O)N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875402377 DWJCRRJNQFZUBY-CGTJXYLNSA-N 398.463 0.665 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CO)n2CCCc1ccccc1 637970 WSBIYOHOUHXBON-CYBMUJFWSA-N 390.465 0.501 0 50 GCAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO)cc(OC)c1 15065724 ZLRZCHPFKIUMIS-QGZVFWFLSA-N 393.484 0.529 0 50 GCAA O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCO1 16650972 XPVQRAQPQMCLAK-MRXNPFEDSA-N 382.482 0.935 0 50 GCAA COc1cc(CNCCc2cn[nH]c2)ccc1OC[C@H](O)CN1CCOCC1 23339684 LGWOKEFBBWFLFZ-GOSISDBHSA-N 390.484 0.823 0 50 GCAA COC(=O)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 39398963 VLPUVRFEJJHWPM-OAHLLOKOSA-N 385.486 0.851 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 55166078 WHURWLRUHGWPEE-AWEZNQCLSA-N 385.823 0.801 0 50 GCAA CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)CC1 55211324 CJCKLESTRVNJOT-INIZCTEOSA-N 389.456 0.073 0 50 GCAA Cc1ncncc1C(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96166658 RIQMTDQZIKHNDF-UHFFFAOYSA-N 385.472 0.766 0 50 GCAA CCn1nc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c1C 214968160 QMBBVNRDJWQAHN-LSDHHAIUSA-N 375.473 0.671 0 50 GCAA COCCn1c(CN2CCCN(c3ncccn3)CC2)nnc1[C@H]1C[C@@H](N)C1 240936903 SFQIYJXWQFTWNF-IYBDPMFKSA-N 386.504 0.632 0 50 GCAA C[C@@H](C(=O)O)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 263329042 UHASQFFLIBXVSZ-NSHDSACASA-N 396.469 0.688 0 50 GCAA CN(CC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1)S(C)(=O)=O 364664580 QUQAVPLQCCGDSF-CQSZACIVSA-N 382.486 0.553 0 50 GCAA COc1ccc([C@H](O)CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)cc1 845810742 MXLQDEHZARCUAG-ZWKOTPCHSA-N 390.411 0.704 0 50 GCAA O=C(NCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)[C@@H]1COc2ccccc2O1 952971530 KDSGDEHRIZKJEI-KRWDZBQOSA-N 398.419 0.578 0 50 GCAA COc1cccc(OC)c1CN1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1565530566 NAENBWSKSCTROS-CVEARBPZSA-N 394.493 0.924 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C[C@H]2O)n[nH]1 1704358202 FMNVGCIAIPQZDL-MEBBXXQBSA-N 382.417 0.180 0 50 GCAA CN(C)C(=O)NCC(=O)N[C@]1(C)CCOC2(CCN(CC3CCC3)CC2)[C@H]1O 1772711213 ROQKCYUMWNCZPE-PKOBYXMFSA-N 396.532 0.548 0 50 GCAA CC(C)(C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCc1cc(Cl)no1 1772812028 GFCNANIBTUOUBP-WDEREUQCSA-N 391.877 0.705 0 50 GCAA CCn1ccnc1CN(C)C(=O)[C@H]1CC(=O)N(c2nnc(COC)s2)C1 1857708224 WKJZYHCXZKNBLX-NSHDSACASA-N 378.458 0.912 0 50 GCAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC([C@@H](O)CN(C)CCO)CC3)c2n1 1857719046 CZUKCJMQHHJPEJ-KRWDZBQOSA-N 389.500 0.792 0 50 GCAA CCOCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1cccnc1OC 1875243965 GHRYPLLIJPRWTF-ZIAGYGMSSA-N 394.453 0.445 0 50 GCAA O=C(CN1CCN(S(=O)(=O)N2CCCC2)CC1)NCc1ccccc1F 44896938 MMWRRRNAWXVKBH-UHFFFAOYSA-N 384.477 0.400 0 50 GCAA COc1ccc(CN2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)cc1Cn1cccn1 65488098 JQZVQXGPQGDJQS-KRWDZBQOSA-N 383.452 0.425 0 50 GCAA CN(C)C(=O)CNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71763539 NGXVORGYRKUVQO-GOSISDBHSA-N 387.528 0.962 0 50 GCAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)CO)CC2 77406930 UGBALNGHQHBSSH-UHFFFAOYSA-N 381.479 0.841 0 50 GCAA CC[C@H](C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2)N1CCOCC1 82096852 ZQOFZKSHZYROGJ-MRXNPFEDSA-N 378.477 0.107 0 50 GCAA CCn1ccc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cc1=O 91655816 PYHMXKVQQZOSCZ-CYGHRXIMSA-N 377.485 0.658 0 50 GCAA CCN1CC[C@@]2(CCC1=O)CN(Cc1nc3c(cnn3C)c(=O)[nH]1)CCN2C 91680453 NDQRAELIGANAMS-IBGZPJMESA-N 387.488 0.175 0 50 GCAA CC[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)NCc2cnn(C)c2C)c1 95352445 OZIGYRVJOVCPEP-OAHLLOKOSA-N 380.470 0.708 0 50 GCAA c1cnc(-c2n[nH]c(CNC3CCN(c4ncnc5[nH]cnc45)CC3)n2)cn1 96166595 VAYQTQBFOIBMGO-UHFFFAOYSA-N 377.416 0.687 0 50 GCAA COC(=O)[C@H](NC(=O)CCn1cnc2c(C)cccc2c1=O)c1cncn1C 170606151 XAVLVUHDIQAWEL-QGZVFWFLSA-N 383.408 0.859 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 222180465 SYEQFZLHGVAIMV-KGLIPLIRSA-N 385.873 0.945 0 50 GCAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](N4CCNCC4)C3)cc21 377105811 YCBWPAVWRJVTJC-INIZCTEOSA-N 378.498 0.264 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cn1C 408106134 JNPDZWZVZCMDPW-DOMZBBRYSA-N 394.497 0.549 0 50 GCAA CCCS(=O)(=O)N1CCC(NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)CC1 433279650 UTDDPQHUGSQZMK-CYBMUJFWSA-N 395.547 0.267 0 50 GCAA Cc1nccn1CCC(=O)N1C[C@@H]2CN(C(=O)c3cncc(O)c3)C[C@@]2(CO)C1 1772807351 TXSPZSQULYHROG-OXQOHEQNSA-N 399.451 0.275 0 50 GCAA O=C1COc2ccc(C(=O)NCC[C@H]3NC(=O)c4ccccc4NC3=O)cc2N1 1775971678 KPYWOYLWWKWEKM-CQSZACIVSA-N 394.387 0.888 0 50 GCAA Cn1cncc1CC(=O)N[C@@]12CCC[C@@H]1N(c1ncnc3c1cnn3C)CC2 1775990296 FMWWVOMNGAROAU-HNAYVOBHSA-N 380.456 0.957 0 50 GCAA CCCOCC(=O)NC[C@@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCO1 1775991279 JEFSJKWETJGUSQ-FCEWJHQRSA-N 378.473 0.684 0 50 GCAA COCC(=O)N[C@H]1CCC[C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]12 1857671861 UNMMPIMPQMPVQJ-ZNMIVQPWSA-N 387.436 0.984 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]12)c1ccoc1 1857691597 RQODQPZEBUWHGH-ZNMIVQPWSA-N 382.438 0.060 0 50 GCAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](c2nnn(CCOC)n2)C1 1857722852 QCBIEQBYMHDBSL-OAHLLOKOSA-N 377.449 0.873 0 50 GCAA CO[C@@H]1C[C@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C12CCC2 1875266248 RLMSIGXZQHVTMP-UONOGXRCSA-N 399.488 0.406 0 50 GCAA Cc1nn(C)c(Cn2c(Cc3ccc(F)cc3)noc2=O)c1S(N)(=O)=O 1875318483 RUOPXJHHWYTVEK-UHFFFAOYSA-N 381.389 0.304 0 50 GCAA CS(=O)(=O)N=c1cc[nH]c(C(=O)N2CCOc3ccccc3[C@H]2CO)c1 1875343855 WTHWSYLLVPEMOP-OAHLLOKOSA-N 377.422 0.443 0 50 GCAA CCOc1ccc(CC(=O)N[C@H]2CC[C@H](C(=O)NCCN(C)C)C[C@@H]2O)cc1 2100548390 ZRGZLSJFWRCKOG-WDSOQIARSA-N 391.512 0.951 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCc2nc[nH]n2)C[C@@H]1O)c1cccc2c1NCCC2 2100555309 QCHFWRMCWFPMER-QEJZJMRPSA-N 384.440 0.349 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCO[C@]3(CCNC3)C2)[C@H]1c1ccccc1 2356148762 QOEHHTLPXKJGTP-DYXWJJEUSA-N 387.480 0.954 0 50 GCAA O=C1N[C@@H](CO)C(=O)N2CCN(Cc3ccc(CN4CCCCC4)s3)C[C@H]12 14534285 SOTVCFAWRXRXSU-DLBZAZTESA-N 392.525 0.238 0 50 GCAA O=C1CCCN1CCNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 14975962 ISIDIIKCVZIHJC-SFHVURJKSA-N 377.485 0.471 0 50 GCAA COc1cccc(C(=O)N2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)c1 41244316 XNBBBJFQVGZEKB-CQSZACIVSA-N 380.466 0.804 0 50 GCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)c1ccc(C(=O)O)cc1)C2 71551721 CUMJMIYRMGQTHW-UHFFFAOYSA-N 378.410 0.281 0 50 GCAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3COC[C@@H]3O)cc2)CC1 95512529 AUOLHHPJFOOWEB-ROUUACIJSA-N 392.452 0.582 0 50 GCAA O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 230072341 HJWQGNKCQROOEN-CVEARBPZSA-N 393.513 0.024 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3c(c1)OCO3)C2 247925736 DORYASPZPUUJEX-OCCSQVGLSA-N 381.454 0.758 0 50 GCAA CCn1c(CN2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 253378465 GJMULBMVMVACJN-CALCHBBNSA-N 389.548 0.633 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)Nc3cc([C@H]4CCCOC4)nn3C)C2=O)cn1 280296104 WRTJCLZUWDDFRK-JSGCOSHPSA-N 387.444 0.975 0 50 GCAA O=C(NCc1ccc2nonc2c1)N1CCCO[C@@H](CN2CCOCC2)C1 426369195 NCDHEWZBVYEOAW-HNNXBMFYSA-N 375.429 0.856 0 50 GCAA CN(Cc1ccon1)C(=O)Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1 426370536 RPJHGOBUXVSVCW-GOSISDBHSA-N 397.439 0.741 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)Cn2ccc([C@H]3CCCNC3)n2)cc1 426378000 NUUOIKGENIHYRC-AWEZNQCLSA-N 377.470 0.314 0 50 GCAA C[C@@H]1[C@H](N(C)CCO)CCN1c1ncnc2c1ncn2C1CC(CO)(CO)C1 888097603 KTASMUXXHLPJAL-UKRRQHHQSA-N 390.488 0.024 0 50 GCAA CN1C(=O)CO[C@@H](C(=O)N[C@H]2CCc3ncsc3C2)[C@H]1c1cnn(C)c1 910846304 UGQNRGQHMSMVRK-IUIKQTSFSA-N 375.454 0.449 0 50 GCAA C[C@@]1(NC(=O)Cn2cccn2)CCOC2(CCN(C(=O)C3CCC3)CC2)[C@H]1O 1704326345 VVBJTRMLPLIODI-RBUKOAKNSA-N 390.484 0.701 0 50 GCAA O=C(NCC(=O)N1C[C@H]2CN(Cc3ccncc3)C[C@@]2(CO)C1)c1ccccc1 1772811273 SQTQQLMKHLGJSJ-KNQAVFIVSA-N 394.475 0.764 0 50 GCAA Nc1ncccc1CN1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@]2(CO)C1 1772814711 PDKYIMCVFSHQEK-IERDGZPVSA-N 396.447 0.959 0 50 GCAA CN1CC[C@]2(C(=O)NCC3CCOCC3)CCCN(C(=O)c3cn[nH]c3)[C@H]2C1 1857694305 KBKKHEQRLSSTNJ-FXAWDEMLSA-N 389.500 0.879 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857698819 JSFJXWCAVJBKKX-SFHVURJKSA-N 394.497 0.805 0 50 GCAA CC(C)[C@@H]1CN2C[C@H](NS(=O)(=O)c3ccc(OCC(N)=O)cc3)C[C@H]2CO1 1857741234 JYDULWABKNFDPA-KEYYUXOJSA-N 397.497 0.327 0 50 GCAA COC(C)(C)c1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355748 OXWSRKGBWGDZIC-AWEZNQCLSA-N 383.408 0.910 0 50 GCAA CN1C[C@@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)CNC(=O)C(C)(C)C)C2 1875395311 ALSGVADAWWJYAS-AWEZNQCLSA-N 388.516 0.563 0 50 GCAA COc1cc(F)ccc1C(=O)N[C@@H]1C[C@H](C(=O)NC2CCOCC2)C[C@H]1O 1940195282 SRYBCOUKCXEDGY-IUIKQTSFSA-N 380.416 0.999 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCO[C@@H](c2nn[nH]n2)C1 2100534541 NDFCRFUMZHGIGC-CYBMUJFWSA-N 391.413 0.156 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCCOCC)CC[C@H]1NC(=O)c1cnc(O)[nH]1 2100539796 YVPMMJQITJLLOT-GZBFAFLISA-N 382.461 0.962 0 50 GCAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccco1 2876696 AYPHHEXHOOWLKP-UHFFFAOYSA-N 380.422 0.996 0 50 GCAA COc1cc2c(cc1CNC(=O)c1cn(C[C@H]3CCCNC3)nn1)OCCO2 71278586 CVAQRGMMNNPLEF-ZDUSSCGKSA-N 387.440 0.988 0 50 GCAA COc1nc2c(cc1CNC(=O)C[C@H]1COCCN1)C(=O)N(C1CCCC1)C2 71662110 SJZGYGZECYWOTN-AWEZNQCLSA-N 388.468 0.983 0 50 GCAA Cc1noc(C)c1CNC(=O)C[C@H]1COCCN1C(=O)Cn1nccc1C 72423019 MBIRNKJQSYTMGD-HNNXBMFYSA-N 375.429 0.730 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CCN(Cc2cccs2)[C@@H](CCO)C1 72480308 MSJMOXFIFGHSMY-ZDUSSCGKSA-N 375.516 0.212 0 50 GCAA CCN(C)Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1 77287062 LSWPJCJYAWSRTJ-UHFFFAOYSA-N 378.454 0.404 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCc2nccs2)c1)N1CCNCC1 97819654 WKKMLGGTQRIEFX-UHFFFAOYSA-N 380.495 0.710 0 50 GCAA CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)O)cc1 299750558 NWGGNIXRZPLWFK-HOCLYGCPSA-N 398.481 0.869 0 50 GCAA O=C1NCCN(Cc2nnnn2CC(F)(F)F)[C@@H]1Cc1nc2ccccc2o1 375724100 UEPWPTSTHPIULG-LLVKDONJSA-N 395.345 0.920 0 50 GCAA Cc1c[nH]ccc1=NCCNC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 534631847 IZIFTWGPOLEGNZ-UHFFFAOYSA-N 399.499 0.918 0 50 GCAA Cc1ccc(C(=O)NCc2c3c(c(O)c4c2OCO4)C(=O)N(C)CC3)c(=O)n1C 823806675 DHHNPLDMLGNUMF-UHFFFAOYSA-N 399.403 0.686 0 50 GCAA biogenic Cn1cc(S(=O)(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c(=O)n(C)c1=O 828407580 VGBXNGRMRMOXLL-GFCCVEGCSA-N 398.510 0.088 0 50 GCAA Cc1cc(N2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)nc(N)n1 952981425 MOJDLZRKEHLXNC-UHFFFAOYSA-N 382.468 0.910 0 50 GCAA CCOc1ccnc(N2CCOC3(CCN(C(=O)Cn4cccn4)CC3)C2)n1 1506400110 AEIADCYRJMEOFD-UHFFFAOYSA-N 386.456 0.970 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1 1704298821 KFTXEVCQQZUSIB-SJLPKXTDSA-N 381.498 0.514 0 50 GCAA CN(C)C[C@@]12CN(C(=O)CCc3ccccc3)C[C@@H]1CN(C(=O)c1cnn[nH]1)C2 1772708924 GJSKYCMNIMTYDW-UTKZUKDTSA-N 396.495 0.900 0 50 GCAA Cc1nnc(N2C[C@@H](C(=O)NCc3ncc4c(n3)CCN(C)C4)CC2=O)s1 1857717051 LPPVIHNMIAMSNG-NSHDSACASA-N 387.469 0.294 0 50 GCAA O=C(Cn1ccc(O)nc1=O)N1CC[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]21 1875307323 ALPXEDZGJMHHKK-CJNGLKHVSA-N 392.419 0.629 0 50 GCAA CN=c1[nH]cc(C(=O)N2CCC3(CC2)CN(C(=O)CCn2ccnc2)C3)s1 1875362205 VSAREEZEQALNDZ-UHFFFAOYSA-N 388.497 0.958 0 50 GCAA COc1ccc(C)cc1CNC(=O)[C@@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1875393806 UAZBMMUSAAAIRV-KRWDZBQOSA-N 392.481 0.912 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCn1cccn1 13595594 QHKLJOJNHCIZQU-KRWDZBQOSA-N 385.468 0.789 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccnn3C)CC2)C1 71524653 GEHRPUGMQFSGKN-HNNXBMFYSA-N 377.489 0.499 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@@H]3CC34CCNCC4)cc2C1 82148103 QKUCUPSLTMJTSL-HNNXBMFYSA-N 381.502 0.054 0 50 GCAA CN1C(=O)[C@H](CC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)N(C)C1=O 91460313 OMKFMKMATIBDTI-ZDUSSCGKSA-N 379.848 0.662 0 50 GCAA COc1cccc(C(=O)NC[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1OC 95520378 GDMMCFHLUKVCIO-CYBMUJFWSA-N 385.486 0.952 0 50 GCAA Cc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(=O)[nH]1 95525227 QJNXLFVEELVSQD-UHFFFAOYSA-N 396.451 0.728 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cncnc2C)CN1C(=O)CCSC 96139123 SKWNYCYPFFNUEB-JSGCOSHPSA-N 379.486 0.374 0 50 GCAA CC(C)CC(=O)C(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96140224 OODHHFQIGWQMPV-UHFFFAOYSA-N 377.489 0.969 0 50 GCAA CN1C[C@@H](NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C[C@H]1C(=O)O 222331206 XRRCNFDCKIOOEG-ZFWWWQNUSA-N 380.466 0.785 0 50 GCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C)c(OCC(=O)O)c(C)c2)C1 262742211 IJUPGFKFMFSABZ-AWEZNQCLSA-N 384.454 0.921 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)CC1 426497316 VKNXEFRVEQDDQF-QGZVFWFLSA-N 395.529 0.744 0 50 GCAA COC[C@H](NC(=O)c1cccc(-c2cnn(CC(N)=O)c2)c1)c1ccnn1C 534661132 HTWCJGLSJZGQSM-INIZCTEOSA-N 382.424 0.886 0 50 GCAA C[C@@H]([C@@H](C)N(C)c1ncnc2c1ncn2CC1(CO)COC1)S(C)(=O)=O 888097624 LLCDMCONOAHFMD-NEPJUHHUSA-N 383.474 0.093 0 50 GCAA Cc1c(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)nnn1[C@H]1CCNC1 888102011 TXAIJGZHAQNLFQ-JYJNAYRXSA-N 390.467 0.197 0 50 GCAA CN(Cc1cccc(-n2cccn2)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 952977576 ODVOSMZPKWDTDT-UHFFFAOYSA-N 389.437 0.090 0 50 GCAA O=C(c1cn(CCN2CCNCC2)nn1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 1073288769 PWKCHTZGBJFUEI-ROUUACIJSA-N 387.532 0.130 0 50 GCAA COC(=O)C1(C)CN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)C1 1875268999 MKYYGDVQRJJOCN-OLZOCXBDSA-N 375.429 0.471 0 50 GCAA CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cn(C2CCC2)nn1 1875280652 ICSMUFFNNWSVNE-LJIGWXMPSA-N 388.472 0.780 0 50 GCAA O=C(NCC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C1)C1CC1 1875321977 DGZIIJBWXOIXLG-CVEARBPZSA-N 387.484 0.566 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 1875365213 KSABCQZTIURWHG-AWEZNQCLSA-N 375.429 0.653 0 50 GCAA CN(C)C(=O)C[C@@H](NC(=O)Cn1cc(Cl)c(O)nc1=O)c1ccccc1 2325825886 GQMPYOFIRNDVJL-CYBMUJFWSA-N 378.816 0.938 0 50 GCAA CN(C)CC1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)[C@H]2CC2(C)C)CC1 2332237824 NKGZOMDNTLQFNP-BZUAXINKSA-N 399.557 0.362 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)[C@H]1c1ccccc1 2356134601 UIBLRMMCCZZCCM-MSOLQXFVSA-N 398.467 0.830 0 50 GCAA O=C(COc1cccc(F)c1)N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O 2356149625 MOVWPEZDEKXCKR-IAOVAPTHSA-N 380.416 0.709 0 50 GCAA CS(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCOCC2)nc1 2356153372 DGGYAQCSQIUTRC-GJZGRUSLSA-N 380.470 0.167 0 50 GCAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O 4574509 AYFDAONHPGGBAC-CRWXNKLISA-N 398.504 0.907 0 50 GCAA O=C1CN(c2nc3nonc3nc2N2CCOCC2)CCN1C1CCCCC1 11872888 XOSVCYHTRMEXRE-UHFFFAOYSA-N 387.444 0.831 0 50 GCAA Cc1ccccc1CN1CCc2nnc(CNC(=O)[C@H]3CCC(=O)N3)n2CC1 20455749 SNUKVXUTTJSTSR-MRXNPFEDSA-N 382.468 0.540 0 50 GCAA COc1ccccc1-c1ccc(=O)n(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 44900817 RJDATVXXSQPPCL-CYBMUJFWSA-N 391.449 0.564 0 50 GCAA CN(C)S(=O)(=O)N1CCC(C(=O)NCc2nc(-c3cccs3)no2)CC1 67614136 LNLJCADGUUGNDZ-UHFFFAOYSA-N 399.498 0.933 0 50 GCAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCc1ncc[nH]1 72137151 ABMVALFNBILMJA-NBUZRDOWSA-N 383.452 0.938 0 50 GCAA CC(C)CCN1C[C@@]2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O 91746772 BWLXQLGEYQIRJE-FQEVSTJZSA-N 390.484 0.814 0 50 GCAA CCN(CC)C(=O)N1CCN(C(=O)c2cc(C)on2)[C@@H]2CS(=O)(=O)C[C@@H]21 213040792 PWWHYAYGUYEBNV-KGLIPLIRSA-N 384.458 0.368 0 50 GCAA CN1CCCN(S(=O)(=O)c2cccc(C(=O)NCc3ccon3)c2)CC1 215017448 MISAHKZOZYAHJC-UHFFFAOYSA-N 378.454 0.931 0 50 GCAA Cc1cc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc(C)c1OCC(=O)O 262180445 PYFPMWLUKAIQHN-CQSZACIVSA-N 384.454 0.921 0 50 GCAA O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)N1CCN2CCC1CC2 367055778 SQMPHGUPYRHHBP-HNNXBMFYSA-N 384.488 0.830 0 50 GCAA CN(C)CCCOC1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 368637806 LJTIZVLAYJPORJ-APWZRJJASA-N 391.516 0.899 0 50 GCAA COc1ccccc1N1CC[C@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1=O 378130837 CDQUUQIJJOORLD-HNNXBMFYSA-N 390.484 0.899 0 50 GCAA CSCc1noc(CNC(=O)N2CCC(c3nnc(CO)n3C)CC2)n1 534644137 ZXIZBMQUWXACGB-UHFFFAOYSA-N 381.462 0.643 0 50 GCAA CN1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)[C@H](c2cnn(C)c2)C1 849511291 OVXIORPUXCGENL-IRXDYDNUSA-N 380.456 0.748 0 50 GCAA Cc1nn(C)cc1NC(=O)CN1CCC[C@H](CNC(=O)Cn2ccnc2C)C1 952984543 VSNFUNFCAGHUJB-MRXNPFEDSA-N 387.488 0.700 0 50 GCAA CN(C)c1nc2c(c(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)n1)CCCC2 1704348518 WUYMBDBMGBYMAC-SWLSCSKDSA-N 383.518 0.110 0 50 GCAA CCc1nccn1CCCNC(=O)[C@@]12CCCN(C(=O)CO)[C@H]1CN(C)CC2 1857676934 MULZKKAZGJBZQX-OXJNMPFZSA-N 391.516 0.257 0 50 GCAA COc1ccccc1CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CC[C@H]1O 1857700323 SWAYAKOFIRRUNT-IAGOWNOFSA-N 398.463 0.841 0 50 GCAA Cc1ncc(CN2CC(NC(=O)N3CCN(CCc4cnccn4)CC3)C2)o1 1875323857 VPAGGHXJSGAIFZ-UHFFFAOYSA-N 385.472 0.527 0 50 GCAA C[C@@H](NC(=O)NS(=O)(=O)CCCCS(C)(=O)=O)C1CC(F)(F)C1 1875330808 CWGXGCVIRLBTFY-SECBINFHSA-N 376.447 0.874 0 50 GCAA C[C@@H](CCNC(=O)c1[nH]nnc1C1CC1)N(C)C(=O)c1cnn2c1OCCC2 2325829567 MVDQAIYFVRHDPA-NSHDSACASA-N 387.444 0.942 0 50 GCAA O=C(NCc1cc(=O)c(O)co1)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 2325870011 FZJPUECATKGNMK-KRWDZBQOSA-N 392.433 0.433 0 50 GCAA O=C1CO[C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@@H](c2ccccc2)N1 2356148968 CBXSUAFRLPXDAD-SJORKVTESA-N 378.392 0.739 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3CC[C@H]4[C@@H]3CCN4CC(=O)O)CC2)c1 2356152772 ABEOYTCYCGWZQB-OALUTQOASA-N 386.496 0.877 0 50 GCAA Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)c2c(O)nc(=O)n(C)c2n1 2356158627 SDEXENAOLMQUGI-TUAOUCFPSA-N 385.424 0.329 0 50 GCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3cn(C)cn3)C1)CC2 2356160535 WXGLLWBMULLFOE-KRWDZBQOSA-N 376.486 0.945 0 50 GCAA O=C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 987769 NRZNFXVCDLOOFY-UHFFFAOYSA-N 380.447 0.908 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 11999150 HROPROUVTKMZCC-OAHLLOKOSA-N 386.456 0.861 0 50 GCAA CCOC(=O)N1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 19799384 UIBLPSLVGSKEQL-HOTGVXAUSA-N 380.441 0.978 0 50 GCAA Cc1cc(NC(=O)Cn2cc(-c3nccc(N4CC[C@H](O)C4)n3)cn2)n(C)n1 23250593 XKEPPIHCGNSOGF-AWEZNQCLSA-N 382.428 0.592 0 50 GCAA Nc1cc(C(=O)N2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccn1 67674382 YKPQSVQVCKRORP-LSDHHAIUSA-N 375.429 0.031 0 50 GCAA Cc1nnnn1-c1ccc(CC(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1 426549877 DXFGUCFHUNKGLP-UHFFFAOYSA-N 376.384 0.405 0 50 GCAA CCNC(=O)N1CCC(NC(=O)c2ccc(-c3cc(=N)[nH]c(=N)[nH]3)cc2)CC1 534661987 LDHNQOQWHBSYBH-UHFFFAOYSA-N 383.456 0.892 0 50 GCAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1c1ncnc2c1ncn2C[C@]1(O)CCOC1 888097964 VWUMFVWKMJWHDH-DEXNDLTESA-N 389.456 0.344 0 50 GCAA CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncnc4ccsc34)CC2)C1 1324902154 QUYFSHZHDPWCGD-LBPRGKRZSA-N 375.454 0.587 0 50 GCAA CN(C)C(=O)N1CCC(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)CC1 1704300035 USJLYUBXICTQFD-FUHWJXTLSA-N 382.505 0.158 0 50 GCAA O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857729412 ZTHLQJXGYVAIDN-UZLBHIALSA-N 382.420 0.736 0 50 GCAA C=CC(=O)N1CCC(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 1875370339 KWTMHQKVSLHKGZ-CYBMUJFWSA-N 381.473 0.898 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCc2cccnc2)C[C@H]1NS(=O)(=O)N(C)C 2100545264 LYRQNPRZRQQPOA-ARFHVFGLSA-N 384.502 0.320 0 50 GCAA CNC(=O)c1cc(NC(=O)c2cc(OC(F)F)n(C)n2)cc(C(=O)NC)c1 2325872543 CGFODTDDBFDSQG-UHFFFAOYSA-N 381.339 0.993 0 50 GCAA Cc1cccnc1CN[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N(C)Cc1cnn(C)c1 2332238024 VSOSZLDGDKONKV-NVXWUHKLSA-N 391.497 0.285 0 50 GCAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 970249 LHVYMXGBVNXXCN-GFCCVEGCSA-N 382.467 0.703 0 50 GCAA C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 3656776 IHPIBNRFXVKJMA-LLVKDONJSA-N 375.404 0.804 0 50 GCAA COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 12648253 QZNFDLBEAVAFBE-UHFFFAOYSA-N 385.424 0.830 0 50 GCAA CCn1c(CC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)nn(C)c1=O 67956420 VRVJFTNJAOQBAX-UHFFFAOYSA-N 385.468 0.813 0 50 GCAA CCn1cnnc1CCNC(=O)[C@H]1CN(C(=O)NC2CCCCC2)CCO1 72424886 VEWRKWSMFNSULH-OAHLLOKOSA-N 378.477 0.700 0 50 GCAA COc1cc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccn1 72433190 SWHQRPPMQVLGNL-CVEARBPZSA-N 379.482 0.980 0 50 GCAA Cn1cccc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1=O 97660469 OCBQRCYAYRFFNO-UEUGHCDMSA-N 378.476 0.683 0 50 GCAA O=C(C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1)N1CCCC1 156189054 LBLJKHLVMIKGIS-ZDUSSCGKSA-N 390.406 0.306 0 50 GCAA O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)N1CC[C@@H](CO)[C@@H](O)C1 170617015 LJRDIRRSGMDGBY-BBRMVZONSA-N 383.470 0.582 0 50 GCAA CC(C)(C)OC(=O)NCCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 206233855 VDLLOJWMUCVVLQ-CYBMUJFWSA-N 376.413 0.768 0 50 GCAA CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1(C)C 414338107 RAWDLXCPIBSIFO-CQSZACIVSA-N 384.454 0.937 0 50 GCAA COC(=O)c1cn([C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)cc2c(O)nnc1-2 888089980 SILGJRHTYIAZTP-FZMZJTMJSA-N 390.377 0.690 0 50 GCAA CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2[C@@H](COC)[C@@H]3OCC[C@H]23)cc1 1074623052 STUPGFZWONBHSB-JOCBIADPSA-N 382.482 0.693 0 50 GCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 1256233014 IFUPZBOQNOAUCO-GOSISDBHSA-N 390.465 0.320 0 50 GCAA Cc1cnccc1N1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)CC1 1506423208 GGOWKOPHJRIHFP-HNNXBMFYSA-N 382.486 0.944 0 50 GCAA COc1cccc(C(=O)N2CCC(C(=O)N3CC4(CNC(=O)N4C)C3)CC2)c1 1857670574 VRJMZFRZVFMBBF-UHFFFAOYSA-N 386.452 0.783 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cn[nH]c3)[C@H]2c2cnn(C)c2)CC1 1857683183 FICOYXMLSCEBQI-ROUUACIJSA-N 387.488 0.363 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCCO)C1)c1cn(-c2ccccc2)nn1 1857696409 YZCUTHNKNRAJKV-MGPUTAFESA-N 398.467 0.103 0 50 GCAA O=C(Cc1ccc(Cl)cc1)N[C@@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1O 1857712443 ZFIMEDWHMHWLLQ-SJORKVTESA-N 395.887 0.293 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3ccc(-c4nc[nH]n4)cc3)C[C@H]2CO1 1857727075 KJVSNWDYGWNJMZ-IKGGRYGDSA-N 398.467 0.522 0 50 GCAA O=C(Cn1ccnc1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 19835886 UWCAQPHIZKGFRW-RTBURBONSA-N 387.459 0.806 0 50 GCAA Cc1nn2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccn3)nc2s1 55154477 CKAXQQFMVJBWMG-OAHLLOKOSA-N 399.480 0.501 0 50 GCAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4ccon4)CC3)C2)CC1 71589428 OCBUGPRMBWHBOB-MRXNPFEDSA-N 389.500 0.765 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1nnc2n1CCCC2 72150475 FFSRLTKQANABPI-INIZCTEOSA-N 382.468 0.621 0 50 GCAA CNC(=O)CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(OC)c4)C(=O)[C@@H]13)O2 77420663 GZQJLUMMJAQIFG-VZRKHXGSSA-N 399.447 0.182 0 50 GCAA O=C(Cn1nc2ccccc2n1)N1CCc2c(ncnc2N2CCOCC2)C1 77488083 DFNZTKIJCLDXJL-UHFFFAOYSA-N 379.424 0.643 0 50 GCAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)COc1ccc3c(c1)OCO3)CC2 91270530 QNTMNXWDRSFYBR-SJORKVTESA-N 378.425 0.511 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3n(C)c2=O)C[C@@H]1CO 95358502 GYIICVQLQSJBRJ-IAGOWNOFSA-N 387.480 0.797 0 50 GCAA CCc1noc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)n1 96130277 PVOJJTZNPFJSLG-UHFFFAOYSA-N 375.477 0.972 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](Nc2nnnn2-c2ccccc2)CN1Cc1ccccn1 97515221 PVTPCJSDBBVDDQ-WBVHZDCISA-N 378.440 0.858 0 50 GCAA COCCNC(=O)c1ccc(NC(=O)N2CCN3CCNC(=O)[C@H]3C2)c(C)c1 97679950 YHKXQSVLIVTPHM-MRXNPFEDSA-N 389.456 0.019 0 50 GCAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc3nnnn3n2)CC1 301083845 KTOQWOBJXGAWSZ-UHFFFAOYSA-N 379.833 0.684 0 50 GCAA O=C1C[C@H](Cc2ccc(C(=O)Nc3ccc(-n4nnnc4O)cc3)cc2)C(=O)N1 473244287 WVSHHBSOKWXZPU-ZDUSSCGKSA-N 392.375 0.825 0 50 GCAA O=C(c1cc2c(s1)CCNC2)N1CCN(S(=O)(=O)c2cccnc2)CC1 888101523 GHOQSVOBTZDKST-UHFFFAOYSA-N 392.506 0.936 0 50 GCAA O=C1NC(=O)[C@@H](CC(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)N1 952965407 RPNLBZITNNCROD-MRXNPFEDSA-N 397.435 0.734 0 50 GCAA Cc1nccn1CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 952973806 BNIZEFFLNMWNIV-HNNXBMFYSA-N 377.470 0.804 0 50 GCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1CCc2n[nH]cc2C1 1319189061 CJFSSHXUBWBRRT-ZDUSSCGKSA-N 387.465 0.978 0 50 GCAA CC(=O)NCC(=O)N1C[C@@H]2CN(Cc3cc(-c4cccnc4)no3)C[C@]2(CO)C1 1772710366 QOBOYXQGEFGRRG-OXJNMPFZSA-N 399.451 0.125 0 50 GCAA Cn1cncc1C(=O)N1C[C@@H]2CN(Cc3ccn4nccc4c3)C[C@]2(CO)C1 1772818961 CSQKZUTXYJEKJO-OXJNMPFZSA-N 380.452 0.634 0 50 GCAA O=C1CCC2(CCN(S(=O)(=O)CC[C@@H]3CCS(=O)(=O)C3)CC2)CN1 1857693941 TXCNPJVSTPLADH-ZDUSSCGKSA-N 378.516 0.133 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CN2CCCC2=O)cn1 1857720143 GLVNRMCWAXWQAP-PXNSSMCTSA-N 389.500 0.797 0 50 GCAA Cc1noc(C)c1CN1CCC2(CC1)CN(CC(=O)N(C)C)C(=O)CCO2 1857738894 CVMXMYPXTBSOPA-UHFFFAOYSA-N 378.473 0.963 0 50 GCAA Cc1ccc(NC(=O)CN(C)c2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)nc1 1875398145 DDVJNVWWBDKZSA-HZPDHXFCSA-N 399.499 0.756 0 50 GCAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCn2ccc(O)nc2=O)CC1 1940197376 LWFCQJBCGYRHTQ-UHFFFAOYSA-N 385.424 0.650 0 50 GCAA C[C@]1(CNC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CCNC1 2325896036 PFWYSLFKDYXZFB-YWZLYKJASA-N 384.436 0.177 0 50 GCAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCC[C@@]34CCCNC4=O)cc2c1=O 2356161982 ROAFTXRYGGMBNY-QGZVFWFLSA-N 392.437 0.072 0 50 GCAA O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 9342795 KZYZKBMUXQNTRV-UHFFFAOYSA-N 377.260 0.976 0 50 GCAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](CNS(=O)(=O)N(C)C)C1 11665331 QDZOBKWFDXBKQP-OAHLLOKOSA-N 398.529 0.966 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC1CCOCC1 12712465 WJIZRQYWTUMBPB-KRWDZBQOSA-N 375.469 0.929 0 50 GCAA N[C@@H](CCCCN1CC=Cc2nc(NCCC[C@H](N)C(=O)O)[nH]c21)C(=O)O 64859444 QCJYESKEQDNBSQ-RYUDHWBXSA-N 380.449 0.429 0 50 GCAA in-vitro CC(=O)N1CCc2c(nc(N(C)C)nc2NCCN2CCCC[C@@H]2CO)C1 71661799 JQBZAMSZCZPRGL-OAHLLOKOSA-N 376.505 0.706 0 50 GCAA Cn1cccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1=O 71761475 MZKQCPYKRVTGNV-OAHLLOKOSA-N 386.496 0.981 0 50 GCAA CN1CCC(O)(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)CC1 91445045 VTWXJPPEBCRVPD-UONOGXRCSA-N 376.409 0.499 0 50 GCAA Cc1ccnn1CCC(=O)N1C[C@@H](CO)C[C@H](CN2CCCN(C)CC2)C1 91526202 BRYKSNCFLPIIOT-MOPGFXCFSA-N 377.533 0.676 0 50 GCAA CC(=O)N[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91973801 IKNKDYTWQVCDAN-AWEZNQCLSA-N 375.473 0.708 0 50 GCAA COC[C@@H](O)CN1CCC(NC(=O)NCCc2nn(C)c3ccccc23)CC1 185739066 XKVXXCNUROPXLN-INIZCTEOSA-N 389.500 0.887 0 50 GCAA Cc1cc(S(=O)(=O)NCC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)ccc1F 221256726 OTJUHURZVCBHIC-INIZCTEOSA-N 385.417 0.466 0 50 GCAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cccc(OCC(N)=O)c2)c1O 253623621 BNKWWADIVKKVFO-LLVKDONJSA-N 389.364 0.151 0 50 GCAA biogenic COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(C)=O)CC4)c3CO2)cc1 263617724 PHYBUBCKOSFIRP-KRWDZBQOSA-N 385.424 0.863 0 50 GCAA O=S(=O)(NCc1cn2c(n1)CCCC2)c1cnc2nc(O)nc(O)c2c1 267623959 MAFLDCDJOIWZRD-UHFFFAOYSA-N 376.398 0.447 0 50 GCAA CS(=O)(=O)N1CCCc2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)ccc21 268938988 DHHBYZSMKGZOAK-CQSZACIVSA-N 382.438 0.715 0 50 GCAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)n1 275340859 RSYCHQDBZIADMP-QGZVFWFLSA-N 392.437 0.787 0 50 GCAA CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](CNC(C)=O)C3)cc2S1(=O)=O 742484864 FQFYVGYMWLKUNZ-CYBMUJFWSA-N 393.465 0.839 0 50 GCAA O=C(O)CN1CC[C@@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1857687179 PWJFIDUHWAGQHR-HXUWFJFHSA-N 384.436 0.933 0 50 GCAA CCc1nc(-c2ncccn2)sc1C(=O)N1C[C@H]2[C@H](N)CS(=O)(=O)[C@H]2C1 1857700756 LBRMOKYDEUNVNZ-UMNHJUIQSA-N 393.494 0.359 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)CN(C)Cc2ccncc2)[C@H]1c1cnn(C)c1 1857720402 SMBFJTKSZIEKRX-ICSRJNTNSA-N 386.500 0.777 0 50 GCAA CN(C)S(=O)(=O)CCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1C 1940197497 VIFVLBJWTCBPOZ-UHFFFAOYSA-N 393.465 0.586 0 50 GCAA CS(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1csc(-c2ncccn2)n1 1940198065 KQFDKIPIDBAMBX-RYUDHWBXSA-N 379.467 0.849 0 50 GCAA Cc1nc2nc(C)c(NC(=O)[C@H]3[C@@H]4C=C[C@@]5(CN(C(C)C)C(=O)[C@@H]35)O4)c(=O)n2[nH]1 2100483388 QELKOONHNDYFOY-NSAWSLCGSA-N 398.423 0.163 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@H]4C(=O)O)ccc3C2=O)C(=O)N1 2325896351 WTHYQAAATLCXKQ-GJZGRUSLSA-N 399.403 0.527 0 50 GCAA COc1nc2c(cc1C(=O)N1CC[C@H]3[C@@H]1CCN3S(=O)(=O)N(C)C)CCC2 2356143649 QXXLIRHSPLVYCL-HOTGVXAUSA-N 394.497 0.674 0 50 GCAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 798686 WNBWOMWYGUVGCP-UHFFFAOYSA-N 386.426 0.701 0 50 GCAA Cn1c(SCC(=O)N(CCO)CCO)nc2sc3c(c2c1=O)CCCC3 1156074 USGFNRLINUYUTL-UHFFFAOYSA-N 397.522 0.779 0 50 GCAA CCC(=O)C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 67974111 LWRYEKDLQKMUPC-INIZCTEOSA-N 378.517 0.443 0 50 GCAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3cc(=O)[nH]c(O)n3)CC2)n1 95369766 ATXQFYNPJKYBLP-UHFFFAOYSA-N 384.318 0.555 0 50 GCAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 95504078 ICYSAWVYJGLGEL-CYBMUJFWSA-N 377.445 0.566 0 50 GCAA O=C(O)COCCOCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 96503382 KSNNLVUEWDQOMF-UHFFFAOYSA-N 378.381 0.434 0 50 GCAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1COCC[C@H]1Oc1ccccn1 222559859 ZNPKFYIPNSJXEZ-IAGOWNOFSA-N 380.408 0.953 0 50 GCAA CCN(CC(=O)O)C1CC(NC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc23)C1 262714606 MWTNQIIWJIDWEF-PNESKVBLSA-N 387.440 0.735 0 50 GCAA C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(OCC2CC2)nc1 283056271 DPZUUILGHLLKLV-CJNGLKHVSA-N 377.441 0.485 0 50 GCAA CO[C@]1(C)CCCN(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1 373438530 FSDLKTHKGICQEK-QGZVFWFLSA-N 399.517 0.784 0 50 GCAA COc1c[nH]c(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1=O 824528201 GFQWYLADNLLLEA-YOMPXFNTSA-N 394.475 0.681 0 50 GCAA COCC(=O)N1CCN(Cc2cc(CC(C)C)[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1565516025 ALWHQZWSANJTRO-CVEARBPZSA-N 384.502 0.064 0 50 GCAA COCC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@]2(CO)C1 1772805298 JMVRSUKQCBZJDS-LRDDRELGSA-N 388.873 0.428 0 50 GCAA CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 1772810926 QQBVSSIRGKPKKZ-CHWSQXEVSA-N 395.481 0.654 0 50 GCAA CNC(=O)Cc1nc([C@H]2CCn3ncnc3C2)n(-c2nc3ccccc3[nH]2)n1 1857680469 JFKHORQEUUIVOM-NSHDSACASA-N 377.412 0.754 0 50 GCAA CO[C@H](C(=O)N1CC2(CCN(C(=O)c3snnc3C)C2)C1)c1cnn(C)c1 1875361098 PIUOGYCFTAMLPG-ZDUSSCGKSA-N 390.469 0.642 0 50 GCAA NC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)NCc1ccc3c(n1)CCCC3)C2 1875395583 FZTDOTOYYGMBAR-AWEZNQCLSA-N 392.481 0.144 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC[C@@]12CCCN(C)C2=O 2356148260 OCXLDNZKFMLKCT-HXUWFJFHSA-N 386.500 0.764 0 50 GCAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2CCC(C)C)CC1 11874177 ZJPRMKKBCACGCF-INIZCTEOSA-N 382.505 0.960 0 50 GCAA CC1(C)CCN(Cc2cn(CC3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)nn2)C1 23541727 UNLZXKVULRHDKX-INIZCTEOSA-N 388.516 0.885 0 50 GCAA O=S(=O)(NCCNc1cc(N2CCOCC2)ncn1)c1cccc(F)c1 72140717 PSJHWOJAPMSMNJ-UHFFFAOYSA-N 381.433 0.843 0 50 GCAA NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc2)CCCC1 91664806 MZQXDBYBYPJNFT-AWEZNQCLSA-N 395.481 0.360 0 50 GCAA CN(C)[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1O 95352461 NUDFNCGCQRGIQQ-IRXDYDNUSA-N 381.498 0.608 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2ccccc2-n2cccn2)C1 95507135 JAMUPRQPCZWKCE-CYBMUJFWSA-N 379.442 0.654 0 50 GCAA CC(=O)Nc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)cc1 229450170 PJSMXMPNIZDGFY-RSJGLCBASA-N 394.424 0.766 0 50 GCAA COC(=O)C(C(=O)OC)[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 252427987 MQKIUSNYAGLHMZ-XFLYUWEBSA-N 385.210 0.577 0 50 GCAA CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)cn1 262417212 CCGQDBRDQCSZPF-UHFFFAOYSA-N 392.437 0.748 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 264905046 XWZUBVYUNXYFCC-MRXNPFEDSA-N 391.491 0.226 0 50 GCAA CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC(O)C2)cc1 272809963 LWYJPMAAIBORBM-CJNGLKHVSA-N 382.482 0.311 0 50 GCAA O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299765681 PWNABPSEONYAPC-HOTGVXAUSA-N 376.438 0.814 0 50 GCAA CN(C(=O)NC[C@@H](c1ccccn1)N1CCOCC1)C1CCS(=O)(=O)CC1 426490587 MGFVQUZCJBHFSC-KRWDZBQOSA-N 396.513 0.674 0 50 GCAA Cc1cccc(-c2noc(CNC(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)n2)c1 584885730 AJYBEBKIMAOCRM-CHWSQXEVSA-N 380.426 0.344 0 50 GCAA Cc1cc(CN2C[C@@H](C(=O)N3CCN(C)C(=O)C3)[C@H](c3cnn(C)c3)C2)on1 888103416 ZDDUEPQMLJOALO-DLBZAZTESA-N 386.456 0.233 0 50 GCAA CCOC(=O)C1(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CCCC1 1442190375 XUEHIKKINMLQAC-AWEZNQCLSA-N 393.415 0.792 0 50 GCAA Cc1ccc(-c2noc(CN3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)n2)cc1 1529142001 WUDRCPXUUUSSOC-GJZGRUSLSA-N 380.470 0.729 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@@H]1O 1616083544 OBRFXCGBNUQUGZ-WBVHZDCISA-N 382.482 0.750 0 50 GCAA Cc1cc(-c2nnc3n2C[C@]2(CCN(S(=O)(=O)C4CC4)C2)OC3)n(C)n1 1772706802 GPVRLJBVSIQTSN-MRXNPFEDSA-N 378.458 0.454 0 50 GCAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2CN(Cc3nccn3C)C[C@]2(CO)C1 1772811020 QZFKEKJSSSUFRT-OXJNMPFZSA-N 387.484 0.910 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3CC(N)=O)C1 1857698441 RQHVBLWDAHWGOH-HALDLXJZSA-N 398.485 0.163 0 50 GCAA COc1cc(C(=O)N2CCOC[C@@H](C(=O)NCc3cnc(C)cn3)C2)ccn1 1857701676 YBDKLKKSWAWMND-HNNXBMFYSA-N 385.424 0.594 0 50 GCAA N=c1nc2[nH][nH]cc-2c(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1 1857715715 DVYUGKBPMUNASJ-GJZGRUSLSA-N 379.424 0.723 0 50 GCAA Cc1c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cnc2ccnn12 1857720762 JEGDVPYESRMRAR-WMZOPIPTSA-N 383.456 0.915 0 50 GCAA COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c(OC)n1 1857739300 HYHDGMRKCRRNAP-RDJZCZTQSA-N 389.456 0.976 0 50 GCAA O=C(N=c1nc2nccc(-c3ccccn3)n2[nH]1)c1ccc(Cn2cnnn2)cc1 2100483290 JWXFMWNDHPHOIX-UHFFFAOYSA-N 398.390 0.895 0 50 GCAA COCC1CN(C(=O)C[C@@H]2CN(C(=O)Cc3cnnn3C)C3(CCC3)CO2)C1 2325785256 MKMULNVZSHGWPS-MRXNPFEDSA-N 391.472 0.003 0 50 GCAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCN1 2325890770 QRCVKTAXJSPVKF-ZBFHGGJFSA-N 384.436 0.272 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 2356157168 CPJSMLDQDGHUPI-GCAXLXSHSA-N 396.491 0.785 0 50 GCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)C2 2356167373 NIMMNJCBWFCFLW-GUYCJALGSA-N 382.438 0.344 0 50 GCAA CN1CCN(C(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)CC1 19928673 ZLXVJDXDLZQXED-UHFFFAOYSA-N 388.497 0.862 0 50 GCAA CS(=O)(=O)NC[C@]1(O)CCCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 72165943 PAYJVOPJOYBTNL-KRWDZBQOSA-N 384.454 0.251 0 50 GCAA COC(=O)N1CCN(Cc2cc(OC)ccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 72422981 DKQIPQUKHROAKL-LSDHHAIUSA-N 384.454 0.753 0 50 GCAA C[C@@H](CC(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2)N1CCOCC1 77341661 PZNXGRALZPJOKK-INIZCTEOSA-N 382.505 0.472 0 50 GCAA CCc1nn(C)c(Cl)c1CN1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 77522624 OMWIQYFNCQVCKI-UKRRQHHQSA-N 378.864 0.791 0 50 GCAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)NCc1noc([C@H]2CCCO2)n1 77523314 MXXHOYZELDPDKZ-CQSZACIVSA-N 384.396 0.893 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccncc2)CN1C(=O)COC(C)C 96137919 IUDRLRKMEBFDLL-HOTGVXAUSA-N 376.457 0.271 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc[nH]2)CN1C(=O)c1cnc(C)s1 96152852 NLJBCGHXLICNCB-AAEUAGOBSA-N 375.454 0.929 0 50 GCAA CC(C)c1nc2c(n1C)CCN(C(=O)c1cnc3c(c1)c(=O)n(C)c(=O)n3C)C2 112667583 DPQFRZCKEBAULJ-UHFFFAOYSA-N 396.451 0.688 0 50 GCAA C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215705272 IZKNUPCSLTUBIQ-OAHLLOKOSA-N 381.498 0.922 0 50 GCAA COCCCNS(=O)(=O)c1c2c(c(OC)c3c1OCO3)C(=O)N(C)CC2 217992532 GVPYHHLVHUQEHA-UHFFFAOYSA-N 386.426 0.367 0 50 GCAA biogenic CN(CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1)Cc1ccc(F)cc1 221396011 DIMOKYQBHSJYST-SFHVURJKSA-N 376.432 0.912 0 50 GCAA COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 239667672 BRDTVUGTCYBFNN-IUODEOHRSA-N 388.424 0.114 0 50 GCAA O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(C2CCOCC2)CC1 253394811 AGGUBVLRLWLXQG-UHFFFAOYSA-N 393.484 0.474 0 50 GCAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 269032866 NGUGDATUORSGCO-GJZGRUSLSA-N 377.376 0.607 0 50 GCAA COc1cc2nc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)nc(N)c2cc1OC 271905553 RBSBIFLTNBOTDA-JTQLQIEISA-N 381.458 0.699 0 50 GCAA Cn1ncnc1[C@H]1COCCN1C(=O)Cc1csc(N2CCCC2=O)n1 284597967 SOVZSFJUOLTQGG-GFCCVEGCSA-N 376.442 0.541 0 50 GCAA O=C1NCC(=O)N2CCN(C(=O)NC3(Cc4ccc(Cl)cc4)CC3)C[C@H]12 584895850 GOMSFMLMBOFSML-CQSZACIVSA-N 376.844 0.767 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2nn(C)c3cccc(Cl)c23)C[C@@H]1O 1616128155 YYQWGGWXXPYCFS-ABAIWWIYSA-N 386.905 0.911 0 50 GCAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCN(C(=O)Cn2cnnn2)CC1 1772705567 JVXDLQKFCXKXGK-OAHLLOKOSA-N 383.456 0.185 0 50 GCAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@]2(CN(C)C)C1 1772709291 FEIQQMRNSWXMMV-OXJNMPFZSA-N 397.483 0.593 0 50 GCAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)C2 1857681689 JCSRQFFVZDNONG-MRXNPFEDSA-N 381.410 0.737 0 50 GCAA O=C(N1CCN(c2cnccn2)CC1)[C@]12COC[C@H]1CN(Cc1ccoc1)C2 1857693130 JGVAKUKOUJSKBK-YLJYHZDGSA-N 383.452 0.867 0 50 GCAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CCOc1ccccc1)C2 1875395805 MLWLTFLIGZHHFF-OAHLLOKOSA-N 380.466 0.559 0 50 GCAA CS(=O)(=O)c1csc(S(=O)(=O)N[C@@H]2COC[C@H]2N2CCCC2)c1 1875396465 ILLBUHXNKZRDQE-VXGBXAGGSA-N 380.513 0.293 0 50 GCAA CC(C)N(CC(=O)O)C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325895725 HUWWCFNAAVMQPH-AWEZNQCLSA-N 387.392 0.383 0 50 GCAA COc1ccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)CNC(C)=O)C2)cc1 2356150245 SPPLMJWQUZFENU-USXIJHARSA-N 377.441 0.093 0 50 GCAA COc1ccc(CN2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)cc1Cn1cncn1 2356155537 HHKXZLXGKIPYBI-UYAOXDASSA-N 385.468 0.798 0 50 GCAA O=CN1CCCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 12584735 FTLWAEFJVURMIZ-IBGZPJMESA-N 377.485 0.423 0 50 GCAA COc1ccccc1N1CCN(C(=O)CSc2nc(N)cc(=O)[nH]2)CC1 18240387 SMDJECDTRPAQFQ-UHFFFAOYSA-N 375.454 0.802 0 50 GCAA CN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 72146562 WTNNLTGQBFIEPY-LJQANCHMSA-N 385.508 0.965 0 50 GCAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]31)cn2C 77487914 QWBXTANFRKQVKR-SJORKVTESA-N 389.477 0.400 0 50 GCAA O=C(CCC(F)(F)F)N1CCN(Cc2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 82170721 CWYCUAMTCDRTTJ-MNOVXSKESA-N 380.392 0.562 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)COCc3ccccc3)C[C@@H]2CO)CC1 91757661 BIYJRPYGMNMZKG-WOJBJXKFSA-N 375.513 0.908 0 50 GCAA CN(C)c1cc2c(cc1NC(=O)N1CCO[C@H](CCN)C1)n(C)c(=O)n2C 96130678 VOVPPOCEQDRLSP-GFCCVEGCSA-N 376.461 0.525 0 50 GCAA Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 115389552 ZOXLLDASXUHRRP-UHFFFAOYSA-N 394.483 0.900 0 50 GCAA O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)N1CCc2ccccc21 181746887 MDGNPDKCEIJXCP-UHFFFAOYSA-N 377.510 0.771 0 50 GCAA COCc1cc(=O)n2[nH]c(N3CCN(C(=O)CCc4ccccc4)CC3)nc2n1 206650455 FXVVBTHJHFGUHI-UHFFFAOYSA-N 396.451 0.845 0 50 GCAA COC(=O)C[C@]1(C(=O)OC)N[C@@H](c2ccc(F)c(C)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210202809 PPAKMSLMZNSFLO-XLPNERPQSA-N 392.383 0.484 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(Cc2cccc(F)c2F)CCO1 328602145 ALZNLCQJTVAKQT-GFCCVEGCSA-N 378.397 0.512 0 50 GCAA C[C@@H](C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329863438 RXARHLFILRTWMQ-KGXGNXRTSA-N 392.452 0.332 0 50 GCAA CN(C)c1cc(-c2cccc(C(=O)NCCN(C)S(C)(=O)=O)c2)ncn1 426389579 GSXRVMZTMVCYND-UHFFFAOYSA-N 377.470 0.831 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(O)nc3ccccc23)C[C@@H]1O 1529145983 SCEPNUOOVOIPGA-NHYWBVRUSA-N 379.438 0.265 0 50 GCAA O=C1COc2ccc(C(=O)NCC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2N1 1775942418 KPYWOYLWWKWEKM-AWEZNQCLSA-N 394.387 0.888 0 50 GCAA Cc1nc(N2CCOCC2)sc1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 1857736494 RHXMSOWYVGMGMB-UHFFFAOYSA-N 375.454 0.846 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCC(=O)OC)CC[C@H]1NC(=O)c1cnc(C)cn1 1875243361 DEAFPDVPAFWSBL-SQWLQELKSA-N 392.456 0.768 0 50 GCAA Cn1ccc(C(=O)NCC2CN(C(=O)c3ncoc3[C@@H]3CCCO3)C2)cc1=O 1875310383 OGJQFQUBOWVWFF-AWEZNQCLSA-N 386.408 0.727 0 50 GCAA O=C(Cn1cncn1)N1CCC[C@H]([C@@H]2CCN(C(=O)C3CCOCC3)C2)C1 1875322361 QGJYJTORSFPOBO-DLBZAZTESA-N 375.473 0.792 0 50 GCAA C=CC(=O)N(CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C[C@@H]1CCCO1 1875388160 PBKKSUXIXBRLJY-TXPKVOOTSA-N 380.485 0.864 0 50 GCAA COCn1ccc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)n1 1875396547 LSIRPRWCRFUCOH-UZLBHIALSA-N 388.468 0.869 0 50 GCAA COC1(c2nccn2C)CN(c2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)C1 1875398105 BJEFPPWWWMEVHY-HUUCEWRRSA-N 387.488 0.073 0 50 GCAA O=C([C@@H]1CCNC12CCS(=O)(=O)CC2)N1CC[C@@H](OCc2cccnc2)C1 1875405207 ADEWWMCRNRILMP-SJORKVTESA-N 393.509 0.756 0 50 GCAA C[C@H]1CN(C(=O)CCNC(=O)c2ccc3c[nH]nc3c2)C[C@H]1N1CCOCC1 2325737725 ZJWKOCBCOGCRKT-KBXCAEBGSA-N 385.468 0.862 0 50 GCAA CN1CCN(C(=O)[C@H]2CCCN2C(=O)C[C@@H]2Cc3ccccc3NC2=O)CC1 2325780887 WPPXODJFWTWEEH-FUHWJXTLSA-N 384.480 0.953 0 50 GCAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccccc2-n2cccn2)ncn1 2325786176 MOEAJBQZRIEIJJ-ZIAGYGMSSA-N 379.424 0.614 0 50 GCAA O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@@]12CCCN(CCO)C2=O 2356152248 FGGDESCLLJIFHW-LJQANCHMSA-N 394.493 0.826 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ccon1)CO2 71575199 LHSSAFMRBHTQIN-OAHLLOKOSA-N 388.424 0.955 0 50 GCAA CC(C)(O)CCc1cccc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1 72418720 AGUSOSAKVKHWLG-MRXNPFEDSA-N 384.498 0.780 0 50 GCAA O=C(c1ncn[nH]1)N1CCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2C1 77354964 WGXNBLZNEOUZMU-CQSZACIVSA-N 391.453 0.461 0 50 GCAA COCCCN1C[C@]2(CCCN(C(=O)Cn3cccnc3=O)C2)CCC1=O 77392064 DLKMARIILPTZJS-IBGZPJMESA-N 376.457 0.511 0 50 GCAA Cc1cc(=O)cc(C(=O)N2C[C@@H](CO)C[C@H](CN3CCCN(C)CC3)C2)o1 91487036 ULBFIWOYUXPMFK-SJORKVTESA-N 377.485 0.656 0 50 GCAA CCc1nc(C)c(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)s1 91536545 LRYQKHDHZGNMFX-KGLIPLIRSA-N 380.514 0.715 0 50 GCAA COC(=O)c1ccc2c(c1)n(CC(=O)N1CCCNCC1)c(=O)n2CC1CC1 95529406 CVKBIULPIYHRKR-UHFFFAOYSA-N 386.452 0.822 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2=O)n(C)n1 225480328 XCXFBVDDAIZDDQ-NSHDSACASA-N 386.865 0.589 0 50 GCAA Cn1cc([C@@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)[C@H]2C[C@@H](O)C2)cn1 240228113 KGFPOSBCOJAJNO-JOQOYGCGSA-N 377.466 0.995 0 50 GCAA O=C1NC[C@@H](O)Cn2nc(C(=O)N(CCCO)Cc3ccc(Cl)cc3)cc21 244594190 DHWWHIIHXOOCOU-CQSZACIVSA-N 392.843 0.666 0 50 GCAA CC(C)(C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)S(=O)(=O)C1CC1 332749079 JRVFRBBIYQITBC-IMIFBBOLSA-N 380.466 0.266 0 50 GCAA CC(C)N1CCCN(S(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)CC1 952969682 JLLXNTBZFPBOKN-UHFFFAOYSA-N 380.470 0.744 0 50 GCAA COc1cc(Cl)cc(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529180227 DZNJFGWDTRYNJD-FZMZJTMJSA-N 376.862 0.673 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)NCCOc3nonc3C)CC2=O)s1 1857732831 JCXGUVZGGHALGE-SNVBAGLBSA-N 380.430 0.730 0 50 GCAA CCC[C@]1(CO)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C[C@H]1O 1875248540 WTOIEAZZUNWOLH-DNVCBOLYSA-N 375.425 0.728 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@H]1NC(=O)c1cccc(C)n1 1875250818 JQVIJZXIZOHNNJ-SQWLQELKSA-N 376.457 0.685 0 50 GCAA C=CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 2325888614 KMJBWVAPYAAYAQ-UHFFFAOYSA-N 391.902 0.927 0 50 GCAA Cc1cc(C)n(CCNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)c(=O)n1 2356165408 HGQXQCPUXWBIQJ-MOPGFXCFSA-N 398.463 0.883 0 50 GCAA COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)CSC)CC1=O 14745222 ADKRZSOHAIWZDT-OAHLLOKOSA-N 395.481 0.564 0 50 GCAA COc1cccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c1OC 96152247 PFVSBJPJVFZTSF-CXAGYDPISA-N 384.454 0.482 0 50 GCAA CCn1nc(C)cc1C(=O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 211176789 UNCXUBIULFOZEQ-SJORKVTESA-N 391.472 0.579 0 50 GCAA O=C(NCc1noc(C2CC2)n1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 216128068 ONQBIQLBIXUQRQ-CYBMUJFWSA-N 392.437 0.632 0 50 GCAA CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1 239302873 FSVJIBOEKUYNOC-IGCXYCKISA-N 385.486 0.523 0 50 GCAA Cn1cc(S(=O)(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 243956962 CEWSWOKLMFYQPG-HAQNSBGRSA-N 376.446 0.018 0 50 GCAA Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)c3nnnn3C)CC2)cc1F 252483232 DXTXSXTYMKISSC-LBPRGKRZSA-N 375.408 0.886 0 50 GCAA CN(CC(=O)NC1CC1)S(=O)(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 253427491 FTBUJINGRSERDT-INIZCTEOSA-N 395.481 0.938 0 50 GCAA COCCn1ccc2c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cccc21 263588857 ZHEWOBQVPRGIIX-UHFFFAOYSA-N 395.481 0.770 0 50 GCAA COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@@H](CO)C(C)C)C2=O)cc1OC 409413027 CEJVRJNYABLGNK-KBPBESRZSA-N 393.440 0.647 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1 824684277 QPNAXZYORCTVHH-CQSZACIVSA-N 393.469 0.456 0 50 GCAA N=c1nn[nH]n1CC(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 952962711 FNFPOQGXZQHKIR-UHFFFAOYSA-N 377.836 0.294 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1073339492 CYHHTUBCTYMNNP-PWSUYJOCSA-N 380.832 0.592 0 50 GCAA C=CC(=O)NCc1ccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1319099242 GFTBSDRBQQCNQB-UHFFFAOYSA-N 379.482 0.985 0 50 GCAA Cc1nc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)nc2c1CCCC2 1529158968 LFFRDAPYFAHVPS-MOPGFXCFSA-N 381.436 0.931 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(F)c1 1704300023 UNTYVYUOBLGQLE-WCQYABFASA-N 380.463 0.319 0 50 GCAA Cc1nonc1C(=O)NCC(=O)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772711500 CVBXMKLTWVGHFM-UZLBHIALSA-N 383.452 0.789 0 50 GCAA O=C(NC1CCS(=O)(=O)CC1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772818254 BCJYEEMJGUGRGZ-LBPRGKRZSA-N 399.538 0.778 0 50 GCAA C[C@@]1(CNC(=O)CC2(O)CCC2)CN(C[C@@H](O)COCC(F)(F)F)CCO1 1775994844 IUOMYBBZUVJLJP-UKRRQHHQSA-N 398.422 0.438 0 50 GCAA COC(=O)c1cc(=N)[nH]c(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 1857676891 YOKJCQMERYJIBV-UHFFFAOYSA-N 389.363 0.873 0 50 GCAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1875312916 KBASBOXZEJWYPG-LLVKDONJSA-N 393.425 0.072 0 50 GCAA O=C1C[C@](O)(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)c2cc(Cl)ccc2N1 1875323868 VWGDPSPXTJDLQF-KZULUSFZSA-N 377.828 0.997 0 50 GCAA CN1CCn2c(CN(C)S(=O)(=O)c3ccc(Cl)s3)nnc2C1=O 1875340166 OSJKWYSDDXNIRL-UHFFFAOYSA-N 375.863 0.899 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)CC1 1875366132 QWGYVUQOMYRSIX-UHFFFAOYSA-N 398.510 0.824 0 50 GCAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)CC1 1940195305 KLKUMXRDLLBICD-UHFFFAOYSA-N 381.400 0.310 0 50 GCAA Cn1cc(C(=O)N[C@H]2C[C@H](C(=O)N3CCNC(=O)C3)C[C@@H]2O)c2ccccc21 1940198144 QIVXQVJBLZXRHJ-NUTKFTJISA-N 384.436 0.006 0 50 GCAA CC(C)=CCC(=O)N[C@@H]1C[C@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325877991 BAECHWZTFOSUOT-CABCVRRESA-N 384.498 0.246 0 50 GCAA COCCN(CCNC(=O)c1c(C)ccn1C)C(=O)c1ccc2nncn2c1 2325879419 UWBHZBMRJUEZJJ-UHFFFAOYSA-N 384.440 0.895 0 50 GCAA CS(=O)(=O)c1ccc(C(=O)N2CCC[C@]23CCCN(CCO)C3=O)cc1 2356137248 USZCRZKDIFZUNA-SFHVURJKSA-N 380.466 0.680 0 50 GCAA CCOC(=O)CC(=O)N1CC2(C)CN(C(=O)CC(=O)OCC)CC(C)(C1)C2=O 2101103 PXMXWNLGZXIUAR-UHFFFAOYSA-N 396.440 0.159 0 50 GCAA biogenic CN1CCCN(c2cnn(CCS(=O)(=O)c3ccccc3)c(=O)c2)CC1 20535252 SXFQRCLWNQJEFR-UHFFFAOYSA-N 376.482 0.859 0 50 GCAA Cn1cnnc1CCNC(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71498837 QHAIHOSNCQNKKZ-INIZCTEOSA-N 388.516 0.587 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 71775848 MAVIOMXVIPUAMT-INIZCTEOSA-N 390.484 0.454 0 50 GCAA COc1cc(CC(=O)N2CCNC[C@@H]2C(=O)NCc2cccnc2)cc(OC)c1 72164761 ZJDBNZRCJYETJD-LJQANCHMSA-N 398.463 0.758 0 50 GCAA CC(=O)N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72433781 FVHRHGMGSWOUPX-SJORKVTESA-N 375.450 0.946 0 50 GCAA Cc1nccn1-c1ccc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 219414607 BQFKFINRVBSKIV-QGZVFWFLSA-N 376.482 0.916 0 50 GCAA CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C1 299742140 HCXCGBVJNAEADF-LRDDRELGSA-N 393.465 0.951 0 50 GCAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3cnc4c(c3)CCC4)cc2C1 299795093 LMGNMRGBCODSAS-UHFFFAOYSA-N 375.454 0.472 0 50 GCAA CCN1CCN(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CC1 952968650 NVVXNEWWRGTCEX-UHFFFAOYSA-N 388.921 0.372 0 50 GCAA NC(=O)c1ccc(S(=O)(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cc1 1565525864 KZLJCQRDWNYJRF-GJZGRUSLSA-N 377.422 0.695 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3ccccc3-n3cncn3)CC2)NC1 1772819967 YUVHDNOOFPMQQK-UHFFFAOYSA-N 382.468 0.988 0 50 GCAA CC(=O)NCC(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)CCc1nc3ccccc3[nH]1)C2 1857681234 DNWGQJNHFMYYIM-USGNIVHTSA-N 397.479 0.985 0 50 GCAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(S(=O)(=O)c3cnn(C)c3)C1)CC2 1857698252 ZMEAKKAORFYYMY-KRWDZBQOSA-N 392.485 0.650 0 50 GCAA C[C@H]1N(S(=O)(=O)N(C)C)CCC[C@@]12CCCN(Cc1ccnn1C)C2=O 1875248096 YYXAQYFAQPYFGY-PBHICJAKSA-N 383.518 0.820 0 50 GCAA O=C(CNS(=O)(=O)c1ccc(F)cc1)NC[C@H]1Cc2ccccc2CN1 1875269930 OWWCDNBESGXQNA-MRXNPFEDSA-N 377.441 0.935 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(Cn2cccn2)c1 1940196922 FFGNIWHQDSJUSN-IRXDYDNUSA-N 392.481 0.568 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O)c1cnc(O)c(Cl)c1 2100545707 ZKOUWOFDGRLSHT-ZLKJLUDKSA-N 383.832 0.559 0 50 GCAA CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)N(C)C)CC2)CC1 10688891 MVVUAHLIZPUVRK-UHFFFAOYSA-N 375.491 0.307 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2c(ncnc2N(C)C)C1 71761546 PYYWWRPLJKSOPK-UHFFFAOYSA-N 375.454 0.697 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1COCCN1)CC2 91691686 NPSJBXHFPUQWJZ-CQSZACIVSA-N 375.473 0.401 0 50 GCAA O=C(CCc1ccc2c(c1)OCO2)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 92020842 KBJUQBCRUPGKNN-IAGOWNOFSA-N 376.453 0.747 0 50 GCAA Cc1nc(=O)cc(CNS(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)[nH]1 95364671 WOXBWZWTAWECOC-UHFFFAOYSA-N 376.438 0.839 0 50 GCAA Cc1noc(C)c1NC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 95531828 KNEHZNKTQSBJRQ-CQSZACIVSA-N 376.417 0.802 0 50 GCAA COc1ccc(N2C(=O)C[C@@H](N3CCN(CC(=O)NC(C)C)CC3)C2=O)cc1 100153820 HSZJOCLGKAEIHG-QGZVFWFLSA-N 388.468 0.469 0 50 GCAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1scc3c1OCCO3)C2 223566585 LRUOORBGGUOJNQ-CYBMUJFWSA-N 378.454 0.967 0 50 GCAA O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@@](O)(c4nc(C5CC5)no4)C3)cc2[nH]1 275339583 RNQABAZNOZGQNE-INIZCTEOSA-N 391.409 0.399 0 50 GCAA Cc1nc(N2CCO[C@H](c3ccnc(N(C)C)n3)C2)sc1S(N)(=O)=O 367220482 VGDSGSFTYSZUAB-NSHDSACASA-N 384.487 0.533 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)C2CCN(C3CCOCC3)CC2)cc1 426489737 YGKBSVSWBGLEIF-UHFFFAOYSA-N 381.498 0.841 0 50 GCAA Cc1nc(O)c2c(n1)CN(C(=O)C1CCN([C@@H]3CCS(=O)(=O)C3)CC1)C2 426566861 IDHXGPCJGXMYPQ-CYBMUJFWSA-N 380.470 0.232 0 50 GCAA O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565527220 USKOEWTVFRMZTB-OCCSQVGLSA-N 383.437 0.844 0 50 GCAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)CCNS(C)(=O)=O 1565527302 WUFMBFCSNCUOTP-KBPBESRZSA-N 375.447 0.021 0 50 GCAA Nc1cc(N2CCCN(C(=O)CCCN3CCCCC3=O)CC2)nc(N)n1 1772806266 AMYGNOOWUZDTHG-UHFFFAOYSA-N 375.477 0.472 0 50 GCAA CCOCC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)Cc1c(C)nc(C)nc1O 1857687091 KLXRDFOXUDUQRE-ZSBFGKGUSA-N 376.457 0.731 0 50 GCAA Cn1cc(CCCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)cn1 1857687745 CKOCJGQWKBECPT-SVFBPWRDSA-N 389.544 0.950 0 50 GCAA CCOc1ccc(CC(=O)N2CCOC[C@@H]2CCNS(=O)(=O)N(C)C)cc1 1857714411 SZWPFGYOXGKLMR-INIZCTEOSA-N 399.513 0.641 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc(C)nc(N(C)C(C)C)n1)C2 1875289037 QDZSBSKMBDASBG-CYBMUJFWSA-N 381.502 0.369 0 50 GCAA C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1[C@@H]1CCN(C(=O)c2ccn3nccc3n2)C1 1875315525 YJBFYPIOWPBANN-GUTXKFCHSA-N 399.455 0.239 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCNC(=O)C2)CC[C@@H]1NC(=O)c1cc[nH]n1 2100483586 GLHNSKCFSFAXBP-YDHLFZDLSA-N 377.445 0.062 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCCn2ccnn2)cc1OC 2100534740 WNTMSABLQPIXBW-SJORKVTESA-N 389.412 0.058 0 50 GCAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccnn2C)CC1=O 2325819938 VNJUVNMQRBBDFR-GXTWGEPZSA-N 376.438 0.835 0 50 GCAA O=C(O)c1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 4678185 YKIUYVUWRMIMSF-UHFFFAOYSA-N 386.412 0.987 0 50 GCAA CCN1CCN(C[C@H](O)COc2ccc(CN3CCOCC3)cc2OC)CC1 20538728 IMBMRYKSNUMKBQ-IBGZPJMESA-N 393.528 0.905 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@@H]1CCCO1 20706986 GTUFEIRHXIWUED-INIZCTEOSA-N 378.477 0.313 0 50 GCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(S(=O)(=O)CCOc1ccccc1)CC2 95390411 VGSFEGGNTUUZDY-HNNXBMFYSA-N 396.465 0.793 0 50 GCAA O=C(CN1CCOCC1)N1CCN(C(=O)c2c(F)c(F)cc(F)c2F)CC1 177495965 HSVCOKUVXACPTB-UHFFFAOYSA-N 389.349 0.860 0 50 GCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15CC[S@@](=O)CC[C@@]35[C@H]42 247337892 RJOVTMHCDKITPS-ORSWBQLISA-N 381.457 0.931 0 50 GCAA O=S(=O)(N1CCCC1)N1CCN(Cc2nc(O)c3sccc3n2)CC1 253536347 DDKWFPPDTGGYGP-UHFFFAOYSA-N 383.499 0.855 0 50 GCAA COc1cc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cc(C(=O)O)c1OC 414326797 FMKUDCJPQSHCCJ-AAVRWANBSA-N 381.406 0.976 0 50 GCAA CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 427532369 YFLOPUCCEMAMOZ-ZDUSSCGKSA-N 380.470 0.693 0 50 GCAA O=C1CCC(C(=O)N2CCC[C@H](CNC(=O)c3cn4ccccc4n3)C2)=NN1 952968344 BZBCXVMUIOJWGD-CYBMUJFWSA-N 382.424 0.569 0 50 GCAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCN(CC(=O)O)C(=O)C2)s1 1506424964 NVFUJRUSNCSKAO-UHFFFAOYSA-N 399.450 0.937 0 50 GCAA CCn1cnnc1CN1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OC)CC1 1529106918 UGEVLNQSCMJYDI-HNNXBMFYSA-N 378.477 0.953 0 50 GCAA O=C(COc1ccc(-n2cnnn2)cc1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529192637 ZGZSPRDWKIMBJP-CRAIPNDOSA-N 380.408 0.498 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCCN(C(=O)Cc3cccnc3)CC2)C1=O 1529197818 XCTBBHHLXDZEOP-UHFFFAOYSA-N 387.440 0.015 0 50 GCAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCOC[C@@H](C(=O)O)C3)ccc21 1775983638 PVNBIDYVOBXMBW-AWEZNQCLSA-N 382.438 0.707 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)NC1 1775983878 UNYMQSUQRKCZLG-UHFFFAOYSA-N 386.452 0.701 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3n[nH]c(=N)s3)CC2=O)s1 1857736569 MYLHWCLALWPZJE-ZETCQYMHSA-N 383.459 0.008 0 50 GCAA Cc1cc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)CCO)ncn1 2100536868 CDYJZMGLHOLJIQ-DEPWHIHDSA-N 382.464 0.865 0 50 GCAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CNCCN3)CC1)OCC2 2356157547 KXDPQWBGENLFTH-INIZCTEOSA-N 375.469 0.656 0 50 GCAA C[C@H](C(=O)c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 4038477 RBXZMIYEVORVMT-CYBMUJFWSA-N 397.435 0.714 0 50 GCAA CC[C@H](O)CNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 12713136 SCTKZIVHSKHGAD-HNNXBMFYSA-N 399.513 0.837 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCC3)c1 19790904 IMCMNRICUILRJH-LJQANCHMSA-N 397.479 0.914 0 50 GCAA CN(Cc1cccc(-c2nnn[nH]2)c1)C(=O)c1cn(C[C@@H]2CCCNC2)nn1 65403466 ORUSKUVUCQRTSR-CQSZACIVSA-N 381.444 0.730 0 50 GCAA CCC[C@@H]1CN(C(=O)CSc2nnc(N)s2)C[C@H]1NS(C)(=O)=O 95520654 USCWALKFBLKYEC-RKDXNWHRSA-N 379.533 0.389 0 50 GCAA CC(C)CN1C(=O)N(CC(=O)N(C)Cc2ccon2)C(=O)C12CCNCC2 95522343 UOJQXECYFSDYCM-UHFFFAOYSA-N 377.445 0.675 0 50 GCAA C[C@@H]1CNCCN1C(=O)c1cccc(S(=O)(=O)NCC2CCOCC2)c1 97784713 ZJNXIQLYDHKNOM-CQSZACIVSA-N 381.498 0.825 0 50 GCAA Cc1c(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCNC3)c2)cnn1C 215887042 NYUJZOLWBFFTIE-HNNXBMFYSA-N 377.470 0.299 0 50 GCAA Cc1nc(SCC(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n[nH]1 426533795 NMBKROMEPIITDM-CHWSQXEVSA-N 382.515 0.722 0 50 GCAA CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 427594430 QHHZBLAHBZAJNH-FZMZJTMJSA-N 380.470 0.692 0 50 GCAA COc1nnc(NC(=O)N[C@@H]2CC[C@H](N3CCN4C(=O)CC[C@H]4C3)C2)s1 886066036 NAQXBRSKFOUXIB-WOPDTQHZSA-N 380.474 0.896 0 50 GCAA CC(C)C[C@@H]1C(=O)NCCN1c1ncnc2c1ncn2C[C@]1(O)CCO[C@H]1C 888097857 QTUHTWQXDQSNMR-IQUTYRLHSA-N 388.472 0.717 0 50 GCAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)CN3C(=O)CN(C)C3=O)O2)CC1 952970444 DQBLZCKVPOBFCT-INIZCTEOSA-N 392.500 0.976 0 50 GCAA Cc1cccc(-n2cc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)cn2)c1 1616076018 XVSGWSHCXHUWKX-AEFFLSMTSA-N 378.498 0.865 0 50 GCAA O=C(CN1CCOC1=O)N1C[C@H]2COC[C@@H](C1)CN2Cc1cccc(F)c1 1772702422 BSMYMYNLPJMVEJ-WBVHZDCISA-N 377.416 0.937 0 50 GCAA COCCNC(=O)[C@@]12CCCN(C(=O)c3cccn(C)c3=O)[C@H]1CN(C)CC2 1775980142 VNKTYGHNZHKHBJ-OXJNMPFZSA-N 390.484 0.074 0 50 GCAA COCC(=O)N1CC(=O)N2[C@H](C[C@@H](C(=O)NCc3ncc[nH]3)[C@H]2CC(C)C)C1 1857692759 SMTDRDYMXRLVII-RBSFLKMASA-N 391.472 0.146 0 50 GCAA CN(CCCS(C)(=O)=O)C1CCN(C(=O)c2cnc3[nH]c(O)nc3c2)CC1 1875324393 WTRCPBONIJJCGG-UHFFFAOYSA-N 395.485 0.635 0 50 GCAA CN(C)C(=O)C12CC(CNC(=O)c3ccnc4ccnn34)(C1)OC21CCNCC1 1875393743 RKPSZCOZHUCVKM-UHFFFAOYSA-N 398.467 0.219 0 50 GCAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 2100477058 ATLBEUPLXDTMJZ-CYBMUJFWSA-N 388.432 0.358 0 50 GCAA CS(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCS(=O)(=O)c1ccccc1 2356149142 MCVDUOBCJVKJPR-GJZGRUSLSA-N 386.495 0.485 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCNC(=O)C3(C)C)C2=O)c1 12438956 WNONEKDFCWDLPW-FQEVSTJZSA-N 393.459 0.898 0 50 GCAA Cc1nccn1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 12439593 JHTCXAGVRWORHV-GOSISDBHSA-N 391.516 0.611 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Cl)cc3)CN2C1=O 14742834 NNSBXBDSOJSSFT-KKUMJFAQSA-N 378.860 0.667 0 50 GCAA C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C=C 44712562 DMMSYVRRDYJQSI-UHFFFAOYSA-N 390.429 0.528 0 50 GCAA Cc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ncnc5[nH]cnc45)CC3)C2)o1 72407867 XPIBZSPXOIOWDG-HOTGVXAUSA-N 383.456 0.622 0 50 GCAA CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)Cn1cnnn1)C2 77503510 YNURAZVRFHOWOF-UHFFFAOYSA-N 378.458 0.287 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 77541977 RENTUQJBTNNRJG-GFCCVEGCSA-N 384.454 0.801 0 50 GCAA COC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 170611932 BUGKSGKMOMXEBN-UHFFFAOYSA-N 390.440 0.482 0 50 GCAA CN1CCN(CC(=O)N2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)C1=O 221158815 MVGQKDAOGWLVNS-GOSISDBHSA-N 383.452 0.869 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 229793469 RZYGEMBJXNRXOY-ZACQAIPSSA-N 395.456 0.696 0 50 GCAA Cc1oc(C(=O)N2CCNC[C@H]2c2nccn2C)cc1S(=O)(=O)N(C)C 261704333 JWRCNPOWRYRZOI-LBPRGKRZSA-N 381.458 0.359 0 50 GCAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 268520314 UQOMZSWOUKYJIQ-ZDUSSCGKSA-N 391.457 0.828 0 50 GCAA CCn1nc(C)c(S(=O)(=O)N[C@@H]2CCCN(c3nccnc3O)C2)c1C 278571774 CVAYSIPRILTZIT-CYBMUJFWSA-N 380.474 0.963 0 50 GCAA C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 363482275 YRCMLXKDNTVAIQ-HNNXBMFYSA-N 397.483 0.762 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC3(CC2)COC(=O)O3)o1 426719982 PVPVWJMFITZJET-HNNXBMFYSA-N 391.424 0.807 0 50 GCAA Cc1cccc([C@H](C(=O)O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 1506420242 ZIFBMDVUWRDOGS-QGZVFWFLSA-N 396.513 0.231 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cnc(-c2ccccn2)nc1 1704338624 VYFKLCFSXOEGPM-DZGCQCFKSA-N 391.453 0.175 0 50 GCAA Cc1ccc(CN(C)CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704359779 XTIAKUMCFYUYLU-DLBZAZTESA-N 383.514 0.449 0 50 GCAA CSCC(=O)N[C@]1(C)CCOC2(CCN(c3nccc(N)n3)CC2)[C@H]1O 1772712985 XOADKNLRNGECCK-GOEBONIOSA-N 381.502 0.417 0 50 GCAA Cc1ccn(CC(=O)N2CCCN(Cc3cnc(N4CCOCC4)nc3)CC2)n1 1775978778 IFPAVZZJZMDOSJ-UHFFFAOYSA-N 399.499 0.553 0 50 GCAA O=C(NCCSc1nc[nH]n1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857704145 FWRMABURQNEYJO-RVKKMQEKSA-N 394.545 0.494 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3sc(N4CCOCC4)nc3C)C[C@H]2O)n[nH]1 1857720136 GFJOUQBPJXXOCA-UKRRQHHQSA-N 391.497 0.995 0 50 GCAA CC(=O)N1CC2(C1)[C@@H](C(=O)N1CC(C)(c3ccccc3)C1)CCS2(=O)=O 1875396136 WRLQVCIEJPIORJ-MRXNPFEDSA-N 376.478 0.822 0 50 GCAA CCOc1ncccc1C(=O)N[C@H]1C[C@H](C(=O)NCCN2CCCC2)C[C@@H]1O 2100556253 JYXWUTKBTMBOPM-XIRDDKMYSA-N 390.484 0.562 0 50 GCAA Cn1cccc1C(=O)N1CCN(c2nccn3c(-c4cnccn4)nnc23)CC1 2325789186 BYJUQBUPGHWZHJ-UHFFFAOYSA-N 389.423 0.882 0 50 GCAA Cn1nnc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 2325804095 VDDUGNWPLOMREA-VHSXEESVSA-N 386.231 0.581 0 50 GCAA O=C(N[C@@H]1c2cccc(O)c2C[C@H]1C(=O)O)c1c[nH]c(=NC2CCOCC2)cn1 2325820972 QXKJWZYTSHGWOC-RDTXWAMCSA-N 398.419 0.923 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NC[C@@H]4CCCCNC4)cccc3C2=O)C(=O)N1 2325896235 UVJZOPDEPSJVRI-DYVFJYSZSA-N 398.463 0.567 0 50 GCAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCN(C)CC1 72143388 NBIVIBMWMPWRIG-SUQGKYDKSA-N 386.496 0.673 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)on1 216280868 BLSLJIXZZMJFGA-UONOGXRCSA-N 390.421 0.142 0 50 GCAA Cn1c(O)nc(=O)c2[nH]c(CCC(=O)NCCOc3ncccc3Cl)nc21 268550602 MYAFCDPJAPNFCM-UHFFFAOYSA-N 392.803 0.538 0 50 GCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 328615187 YARPTIXYXFADAS-HZSPNIEDSA-N 385.490 0.342 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 584887536 AYYLXSYYXXEKJT-MRXNPFEDSA-N 397.497 0.340 0 50 GCAA CC(=O)N1CCC(N2CCC3(CC2)CN(CC(=O)N(C)C)C(=O)CCO3)CC1 1704313663 MEYANRWCHFYNJR-UHFFFAOYSA-N 394.516 0.169 0 50 GCAA COc1cccc(OC)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857688577 REITYKFMWSXGJS-KKUMJFAQSA-N 391.468 0.754 0 50 GCAA Cc1cc(N2CCN(C(=O)c3nc(=O)n(C)[nH]3)CC2)nc(-c2ccccc2O)n1 2100542953 KKLKGJUJRFDSAY-UHFFFAOYSA-N 395.423 0.542 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@H](C(=O)O)C4)ccc3C2=O)C(=O)N1 2325896129 RSXZPLLQWCIUFQ-IUODEOHRSA-N 399.403 0.384 0 50 GCAA O=CN1CCCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 12584729 FTLWAEFJVURMIZ-LJQANCHMSA-N 377.485 0.423 0 50 GCAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CCn1nnnc1CN1CCOCC1 19837170 XELOGHUNVOOYGJ-INIZCTEOSA-N 386.456 0.358 0 50 GCAA CN1C[C@@H](C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)CC1=O 72147961 JRQICYKVIYHHCW-ZDUSSCGKSA-N 380.452 0.968 0 50 GCAA Cn1nc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c2c(N3CCOCC3)cccc21 72407816 JCKQYRHNKWSBLO-GFCCVEGCSA-N 378.454 0.783 0 50 GCAA CCN1CCN(C(=O)CCn2nnc3ccccc32)[C@H]2CS(=O)(=O)C[C@H]21 77428752 KLGDLZNPVQHKIS-CVEARBPZSA-N 377.470 0.151 0 50 GCAA CC(=O)c1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1C 91476551 VZTFTFCSAPKHAF-IAGOWNOFSA-N 378.473 0.102 0 50 GCAA CC(C)c1nnc2n1CCN(C(=O)c1cc(S(N)(=O)=O)ccc1F)CC2 92003859 QVXWVHCKTCJGLI-UHFFFAOYSA-N 381.433 0.887 0 50 GCAA Cc1cc(C(=O)N2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)c(C)o1 95356817 CNYFEMCHWWXIFP-RHSMWYFYSA-N 385.486 0.602 0 50 GCAA C[C@@H](Cn1cccn1)NC(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 95383842 MHFUXDFNPRSMBP-HNNXBMFYSA-N 391.497 0.686 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1cccnc1=O)CC2 95530295 LFJQGYZWBZULKZ-UHFFFAOYSA-N 384.440 0.279 0 50 GCAA CN(C1CCNCC1)S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1 215090314 UGWRWIWNZNDEFR-UHFFFAOYSA-N 378.454 0.977 0 50 GCAA O=C(NC[C@H]1CCN(C(=O)c2cnn3ccccc23)C[C@@H]1O)N1CCOCC1 216967215 NRMNAFYIVZZJRT-PBHICJAKSA-N 387.440 0.199 0 50 GCAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 223738765 GTMCMOIFGYCLML-OLZOCXBDSA-N 375.447 0.618 0 50 GCAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnn(CCN2CCOCC2)c1 264282974 IULNCINDLZOMFS-KRWDZBQOSA-N 386.456 0.433 0 50 GCAA CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299761072 UHSWGKPXPNBPNJ-HOTGVXAUSA-N 376.438 0.597 0 50 GCAA CN(CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1)S(C)(=O)=O 364664577 QUQAVPLQCCGDSF-AWEZNQCLSA-N 382.486 0.553 0 50 GCAA O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@H]1CCCN(C(=O)N2CCCC2)C1 408001739 IMUIPWMPOXRUFD-ZDUSSCGKSA-N 395.485 0.562 0 50 GCAA CC(C)C1(O)CN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 765575125 GAPCWXMKKKXQMR-UHFFFAOYSA-N 375.429 0.220 0 50 GCAA CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 1319324394 HSKGOZVMXKORLS-HNNXBMFYSA-N 395.485 0.584 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@@H]1O 1616073921 RFOOIFYHIOJCDF-PWSUYJOCSA-N 378.397 0.612 0 50 GCAA CN1CCN(CCNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)C1=O 1772818582 HHOCMJCOXZVLNR-ZDUSSCGKSA-N 393.513 0.568 0 50 GCAA CC(=O)N1CCO[C@@]2(CCN(Cc3nc(=N)[nH]c(=Nc4cccc(C)c4)[nH]3)C2)C1 1857687250 MVGYMIFSYREWLU-HXUWFJFHSA-N 397.483 0.581 0 50 GCAA O=C(c1n[nH]c2c1COCC2)N1CC[C@@]2(CN(Cc3cccnc3)CCO2)C1 1857689961 QNCVSKMPTYZSCI-HXUWFJFHSA-N 383.452 0.995 0 50 GCAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)CCn1cnc2ccccc2c1=O 1875245046 HUFNYZRUPDBQLN-UHFFFAOYSA-N 379.384 0.741 0 50 GCAA O=C(CCc1nc(O)n[nH]1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 1940195902 VHLXRUQAYFLSPI-RPLTXICNSA-N 382.468 0.127 0 50 GCAA CC1(C(=O)N=[S@@](C)(=O)c2cnn3c2CN(C(=O)[C@H]2CCC(=O)O2)CC3)CC1 2325784821 MCNLIVYGEDHXJY-MUDIAHQHSA-N 394.453 0.714 0 50 GCAA CC1(CNC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCNCC1 2325895674 GKQHHCKXCCIQID-MRXNPFEDSA-N 398.463 0.567 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 864251 SZTKMOLGUNGKDK-HOTGVXAUSA-N 393.465 0.714 0 50 GCAA Cc1cnc(C)c(N2CCC[C@@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1 23214694 QZNFGGAPLLITLW-MRXNPFEDSA-N 384.488 0.533 0 50 GCAA O=C(CN1CCCCC1)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1 65396232 ADGXRUIAINIWBY-UHFFFAOYSA-N 375.473 0.574 0 50 GCAA Cn1nc(C2CCN(C(=O)c3n[nH]c(N)n3)CC2)n(Cc2ccccc2)c1=O 67739816 OISAFXGVEXGHTE-UHFFFAOYSA-N 382.428 0.350 0 50 GCAA Cn1ncnc1CCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71707977 LVXPZBXLPMGKSO-MRXNPFEDSA-N 388.516 0.587 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 72457349 WYUUEAIXHDMMLT-CABCVRRESA-N 390.421 0.142 0 50 GCAA CN(CCO)C[C@@H]1CN(C(=O)CN2CCC(c3ccccc3)CC2)C[C@@H]1CO 91679446 QPFOITCEZKZEDL-NHCUHLMSSA-N 389.540 0.857 0 50 GCAA CN1C(=O)[C@@H](CC(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)N(C)C1=O 91829872 VGSQSPKXNKWZOX-SNVBAGLBSA-N 387.352 0.364 0 50 GCAA O=C(c1cccc(S(=O)(=O)NC[C@]2(O)CCNC2)c1)N1CCCCCC1 95377778 YHMMPIUBUDTELJ-SFHVURJKSA-N 381.498 0.706 0 50 GCAA C[C@H](Cn1cccn1)NC(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 95383843 MHFUXDFNPRSMBP-OAHLLOKOSA-N 391.497 0.686 0 50 GCAA CCOc1ccccc1C(=O)N1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 219853606 XKPPGRRYNDTACM-CABCVRRESA-N 395.481 0.690 0 50 GCAA CO[C@H]1CCn2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)nc2C1 865942170 PDPDXRHCKWXKIR-INIZCTEOSA-N 383.452 0.906 0 50 GCAA CN(CC1CCN(CCO)CC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529174486 WHMLHQBWXMJVCQ-MOPGFXCFSA-N 375.469 0.405 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1 1704297000 BVYLRLCIIYGVOL-DLBZAZTESA-N 398.481 0.102 0 50 GCAA COCc1cc(Cl)cc(S(=O)(=O)NC[C@]2(CO)COC[C@@H](C)N2C)c1 1857531039 KGOPAAGTUXCCJW-WBMJQRKESA-N 392.905 0.846 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(Cl)n(C)n3)CC2)cc1 1857695970 GOMCGTXBYGOVLF-UHFFFAOYSA-N 383.861 0.924 0 50 GCAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)n1 1857731659 VWBOSIXBQNLFTH-CVYDXHPNSA-N 378.521 0.856 0 50 GCAA O=C(Cn1nc2n(c(=O)c1=O)CCC2)NCc1ccccc1CN1CCCCC1 1875325167 IYTVAWAKRLRMCA-UHFFFAOYSA-N 397.479 0.654 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cnc(-c3ccoc3)s1)C2 1875395816 MTXWKVLTZDRZHO-LLVKDONJSA-N 395.462 0.778 0 50 GCAA CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C)n2)C[C@H]1O 1875398834 GMAIMAAJFWOWNF-MWLCHTKSSA-N 392.275 0.270 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)no1 2356139487 YRLDUFWZEDVCQC-FMJMMLIZSA-N 390.415 0.315 0 50 GCAA CN1CCN(CCC(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)CC1 2356154509 YMOXOEHJMBXVDM-OAQYLSRUSA-N 386.544 0.987 0 50 GCAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 2843224 MBQROBXCMJUKDM-NSHDSACASA-N 376.456 0.298 0 50 GCAA Cc1ccc(C)c(Cn2c(CN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 12532294 ATCSAHWSAMDFSQ-UHFFFAOYSA-N 397.479 0.931 0 50 GCAA O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2C(=O)N[C@H](CO)C(=O)N2C1 14741370 KKFWGEWARPGNII-TUAOUCFPSA-N 386.330 0.287 0 50 GCAA O=c1[nH]nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn12 62591952 RAPBJMOEICROBN-UHFFFAOYSA-N 377.401 0.673 0 50 GCAA COc1cc2c(cc1CN1CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]31)OCCCO2 72418333 YETHMTDLBICYPC-CABCVRRESA-N 382.482 0.770 0 50 GCAA CCC(=O)N1CCN(C(=O)Cc2cc(F)ccc2C)[C@H]2CS(=O)(=O)C[C@H]21 72479561 DUAURCMTLVFVBU-CVEARBPZSA-N 382.457 0.923 0 50 GCAA Cc1ccc(NC(=O)N2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 77322508 LFZULDDWMFPXFR-CABCVRRESA-N 381.454 0.703 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCCNC3)c2)cn1 95525661 DKMZVUPWOWYGAH-HNNXBMFYSA-N 377.470 0.380 0 50 GCAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(CCN)cc1)C2 221308564 GYXPXRUTLSMCHW-SFHVURJKSA-N 378.498 0.478 0 50 GCAA COc1ccc2cc(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)ccc2n1 274799452 QOMURNVBTXTAIV-UHFFFAOYSA-N 396.411 0.606 0 50 GCAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(N3CCCC3=O)cc1)C2 328631694 RIEMSPBHNSXQHJ-UHFFFAOYSA-N 388.449 0.654 0 50 GCAA C[C@H]1c2ccccc2O[C@H]1C(=O)N(CC(=O)O)C1CCN(S(C)(=O)=O)CC1 328640828 QFJJJOHNVIRRFK-YVEFUNNKSA-N 396.465 0.888 0 50 GCAA Cc1nc[nH]c1C(=O)NCC1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 828108539 ADNLYPBNCNGGBT-AWEZNQCLSA-N 397.501 0.111 0 50 GCAA O=C(NCc1ncc2c(n1)CCC2)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1347128449 KILPXQOZMLCYJO-QAPCUYQASA-N 398.438 0.925 0 50 GCAA COc1ccc(-n2ccnc2CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529144333 XYNHLNBMDQXKDY-WMLDXEAASA-N 394.497 0.565 0 50 GCAA Cc1nc(N2CCCC2)nc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1C 1529159690 XPZXVIDFZFLZEA-LSDHHAIUSA-N 383.518 0.382 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1704306524 VVMHNGJTAOPIDB-WBMJQRKESA-N 379.413 0.856 0 50 GCAA CCOCC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)CC1 1704353835 TYLZBBWRGGWNQV-QZTJIDSGSA-N 375.469 0.719 0 50 GCAA O=C(C1CCC1)N1C[C@H]2CN(CC(=O)N3CCOc4ccccc43)C[C@@]2(CO)C1 1772705795 NRDDCUBJRVIRKL-VGSWGCGISA-N 399.491 0.965 0 50 GCAA CCc1cccc(CNC(=O)N2CC3(C2)[C@@H](C(=O)NC)CCS3(=O)=O)c1 1857528366 IPRJICZKCQZPLL-OAHLLOKOSA-N 379.482 0.694 0 50 GCAA COCCCNC(=O)[C@@]12CCCN(C(=O)c3cccc(N)n3)[C@H]1CN(C)CC2 1857696323 WBGAYRCGPBILSL-OXJNMPFZSA-N 389.500 0.743 0 50 GCAA Cc1nc(C2CCN(S(=O)(=O)CC[C@@H]3CCS(=O)(=O)C3)CC2)no1 1857703513 SYXXOXBXROSUKB-LBPRGKRZSA-N 377.488 0.712 0 50 GCAA N[C@@H](CC(=O)NCc1cccc(C(=O)N2CCOCC2)c1)C1CCOCC1 1875276787 CCKAUKBHXAZTOX-SFHVURJKSA-N 375.469 0.919 0 50 GCAA COC1CCN(S(=O)(=O)N2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)CC1 1875299648 QVDROFKFOFRURI-GASCZTMLSA-N 375.535 0.916 0 50 GCAA O=C(Nc1cncc(-c2cc[nH]n2)c1)[C@H]1CNCC12CCS(=O)(=O)CC2 1875326239 NMWWVIYUXZTDAQ-CQSZACIVSA-N 375.454 0.825 0 50 GCAA CCN1CCN(CC)CCN(C(=O)CCc2nnc3ccc(OC)nn23)CC1 2325770147 JFVPVBQRYVRZMD-UHFFFAOYSA-N 389.504 0.552 0 50 GCAA CN(Cc1cccnc1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccsc1 2332237740 JULZUFRRNMDBQG-HUUCEWRRSA-N 393.490 0.945 0 50 GCAA Cn1c(=O)n(CCCO)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 10105104 YFEBOZALZSQMRY-UHFFFAOYSA-N 383.452 0.732 0 50 GCAA COc1cccc(CNCC2(C)COC2)c1OC[C@H](O)CN1CCOCC1 12718186 WNGRIQAJGCLQLN-QGZVFWFLSA-N 380.485 0.893 0 50 GCAA CN(Cc1cc(-c2ccccc2)no1)C(=O)Cn1nnnc1CN1CCOCC1 20992487 PLOAPEITABOGDH-UHFFFAOYSA-N 397.439 0.819 0 50 GCAA CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc3n(n2)CCNC3)cc1 82092670 NRGMJFLYFNLZAF-UHFFFAOYSA-N 377.470 0.605 0 50 GCAA CCC1(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CNC[C@H]3O)cc2)CCC1 91381057 VMERWGCJIAVONW-HZPDHXFCSA-N 381.498 0.608 0 50 GCAA O=C(O)[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1c1cccc(F)c1 91445114 NALXMEGUDFHMFM-UONOGXRCSA-N 375.356 0.393 0 50 GCAA Cn1ncnc1CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 95359774 PZDXBORTSGJARL-UHFFFAOYSA-N 377.470 0.962 0 50 GCAA CCc1cc(CN2C[C@H](NC(=O)c3ncn[nH]3)C[C@H]2C(=O)NC(C)C)on1 96163439 WHTNTMAFMILHSN-OCCSQVGLSA-N 375.433 0.253 0 50 GCAA CCCn1c(O)nc(=O)c2c(C(=O)NC[C@@](C)(O)C(=O)O)cc(C(C)C)nc21 262471561 ZBZQFLVOQJCGPJ-GOSISDBHSA-N 392.412 0.596 0 50 GCAA NCCCOc1cc(Cl)ccc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 299782992 NQZDLRUEQQXDGE-LLVKDONJSA-N 375.878 0.818 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)C3=Cc4ccccc4OC=C3)C[C@]2(C(=O)O)C1 426438918 RNOIMYLURQYBHK-IIBYNOLFSA-N 398.415 0.994 0 50 GCAA COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@H]1CC(=O)N(C)C1)N2C(=O)OC(C)(C)C 863863565 MJJKBLDUIKAMSW-ZCRGAIPPSA-N 395.456 0.520 0 50 GCAA COc1cccc(N2C[C@@H](NC(=O)N[C@@H]3CCc4c(nnn4C)C3)CC2=O)c1 888093976 QUXRLGIJHYSXQU-OLZOCXBDSA-N 384.440 0.786 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(O)(CN3CCCC3)CC2)C1 1506402713 ZWKCZUGMCCXMQF-INIZCTEOSA-N 375.535 0.512 0 50 GCAA Cc1nn(C)cc1S(=O)(=O)N1CCC(CNC(=O)Cc2cccnc2)CC1 1506425945 SPLFYHQPYBQWJN-UHFFFAOYSA-N 391.497 0.883 0 50 GCAA O=C(O)COc1ccccc1CN1CCCN(C(=O)CCn2cnnc2)CC1 1529155460 SYLUJWGPIMNTIV-UHFFFAOYSA-N 387.440 0.866 0 50 GCAA CS(=O)(=O)NCC[C@@H]1COCCN1Cc1cnc(N2CCCCC2)nc1 1857728920 FRCIMNULLVXTAE-MRXNPFEDSA-N 383.518 0.607 0 50 GCAA Cc1ncnc2c1C[C@H](C(=O)N1CCN(C(=O)c3cn(C4CC4)nn3)CC1)CC2 1875295717 OPIFNPQQYHSGMC-CQSZACIVSA-N 395.467 0.801 0 50 GCAA Cc1c(C(=O)NC[C@@H](NC(=O)C2=COCCO2)C2CCCCC2)nnn1C 2325878916 AEKUJTSMIOTKMN-CQSZACIVSA-N 377.445 0.807 0 50 GCAA NCC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896843 IOCBQWXKHJVWNY-RDJZCZTQSA-N 398.463 0.791 0 50 GCAA CCOc1cccc(CN[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N2CCOC[C@@H]2C)n1 2332237810 MMXRSAJOWQNRIG-NUEKZKHPSA-N 397.497 0.230 0 50 GCAA CO[C@H](CNC(=O)CCn1nnnc1CN1CCOCC1)c1cccs1 20782182 ITRIQIKUPPUIOX-CYBMUJFWSA-N 380.474 0.461 0 50 GCAA Cc1cnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1N 71755463 YBXINNOASBAIAD-INIZCTEOSA-N 388.516 0.907 0 50 GCAA CCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C 72164836 FNTJKHRESLEFCZ-KRWDZBQOSA-N 377.485 0.843 0 50 GCAA CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)Cc1cc(=O)[nH]c(N)n1)CC2 91693976 CKICFZAKGKMELN-UHFFFAOYSA-N 399.499 0.650 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 95372067 AEWGXZFBTHFCRG-CQSZACIVSA-N 378.454 0.628 0 50 GCAA CN(C)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)C1 95500725 PSWXOGMTYZZUDI-OAHLLOKOSA-N 381.498 0.778 0 50 GCAA Cc1ncsc1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 95531109 PPHPOABGPLXMIW-UONOGXRCSA-N 378.498 0.922 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccnc(NCc2cn3ccccc3n2)n1 97711856 URTCEOVWAXTFPP-LSDHHAIUSA-N 399.480 0.312 0 50 GCAA CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(=O)n(CC)c(=O)[nH]c3c1)CC2 114862778 VOBYBBHDRXUEMU-LBPRGKRZSA-N 382.424 0.608 0 50 GCAA Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC[C@H](N)C3)CC2)c1 157744499 ZPJCEWFTDASPIW-INIZCTEOSA-N 380.514 0.397 0 50 GCAA COCc1cccc(C(=O)N2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)n1 247556943 XOLAFPBGGJTHMD-GUYCJALGSA-N 383.470 0.087 0 50 GCAA CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)C1 273664825 IRIJZKZZULRTHX-JTQLQIEISA-N 390.845 0.950 0 50 GCAA C[C@]1(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CC2(CCNCC2)OC[C@@H]1O 1704300900 BDMUEFQBQNXWHD-KPEUIFRASA-N 392.504 0.112 0 50 GCAA COc1ccccc1OCc1nc(CCNS(C)(=O)=O)n([C@@H]2CCOC2)n1 1772810535 LDDLWJRITITIIS-CYBMUJFWSA-N 396.469 0.919 0 50 GCAA O=C(CCc1cnccn1)N[C@@H]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 1857677665 LOTOEKVWEOYZHH-HZPDHXFCSA-N 383.452 0.815 0 50 GCAA COc1ccc(CC(=O)N2C[C@H]3[C@@H](N(C)C)CS(=O)(=O)[C@H]3C2)c(OC)c1 1857695272 BXOHPOFYJOOMBU-ZOBUZTSGSA-N 382.482 0.432 0 50 GCAA COCc1cnc(OC)c(CN[C@@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)c1 1875397972 VPUWLFBLGUVLLU-OAHLLOKOSA-N 389.456 0.003 0 50 GCAA CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cnc2c(=O)[nH]ccc2c1 2325875037 DXDPHVPVALRDFK-FZMZJTMJSA-N 378.454 0.713 0 50 GCAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)Cn2cnnn2)CCO3)n1 67840073 IKZGIIFIHJTYEN-UHFFFAOYSA-N 381.396 0.874 0 50 GCAA COCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n[nH]1 72165711 ADXBIIQXXORVNU-QGZVFWFLSA-N 377.489 0.943 0 50 GCAA O=C(c1cn2ccsc2n1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72406906 LBWAEDJHTDKZOL-KGLIPLIRSA-N 380.495 0.729 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)COC)CN1C(=O)CCc1ccccc1C 96163202 RPTZRNMHNTUCHT-IRXDYDNUSA-N 375.469 0.796 0 50 GCAA CN(Cc1cccs1)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248139281 SSMGJMQOOUJAMP-KGLIPLIRSA-N 379.511 0.750 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 264860064 DVBLMHOINDGHDQ-MRXNPFEDSA-N 398.529 0.344 0 50 GCAA COC(=O)CC[C@H]1NC(=O)N(c2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1=O 278174375 QIROSLYHUSAUSD-GFCCVEGCSA-N 399.400 0.644 0 50 GCAA C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)c1ccc2c(c1)NC(=O)CO2 478020948 FAXAMKDOHPNWSJ-NSHDSACASA-N 383.408 0.940 0 50 GCAA Cn1cccc(C(=O)NCC2CCN(CC(=O)Nc3cnccn3)CC2)c1=O 828079860 AGSSJNKXROBWFB-UHFFFAOYSA-N 384.440 0.256 0 50 GCAA COc1cccc(N2CC[C@H](NC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)c1 892743694 PXBMALRPSWRUKL-WMLDXEAASA-N 397.497 0.729 0 50 GCAA O=C(NC[C@@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)C2CC2)CC1 952852284 BCIQOPMEABKERF-HNNXBMFYSA-N 378.498 0.693 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857684484 PNLAQSGRKTYPBL-KRWDZBQOSA-N 380.470 0.415 0 50 GCAA COc1ccnc(N2CCC3(CC2)CC(=O)N(CC(=O)N(C)C)CCO3)n1 1857686812 IVYSZIHEPXLXJG-UHFFFAOYSA-N 377.445 0.161 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)N2CCCN(c3ncccn3)CC2)C1 1857702368 KKTFAYBDACVVTP-CQSZACIVSA-N 388.515 0.143 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(C)C4(CCNCC4)C3)CC2=O)s1 1857737211 BHLKDSVNYFBVBD-ZDUSSCGKSA-N 392.529 0.350 0 50 GCAA O=C1C[C@](O)(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)c2cc(Cl)ccc2N1 1875323867 VWGDPSPXTJDLQF-KPZWWZAWSA-N 377.828 0.997 0 50 GCAA CC(C)(C)[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)CSCC(N)=O 1875347166 JNNVMYXWTHQAFG-LBPRGKRZSA-N 398.485 0.227 0 50 GCAA CCc1nc(-c2ccc(C(=O)N3CCc4c(cnn4C)[C@@H]3C(N)=O)cc2)n[nH]1 1875396159 XNJXBQYJQTWVPW-MRXNPFEDSA-N 379.424 0.993 0 50 GCAA Cc1conc1CN1C[C@H](CC(=O)N[C@@H](C)c2nnnn2C)OCC12CCC2 2325785196 JNZWGXHRLYEPBS-KBPBESRZSA-N 389.460 0.898 0 50 GCAA COc1nc(N2CCCCCC2)nc(N2CCCCNS(=O)(=O)CC2)n1 2325861550 TUXAHBRXDOBGRK-UHFFFAOYSA-N 384.506 0.780 0 50 GCAA O=C1CC[C@H](N2Cc3cc(NC(=O)Nc4cncnc4)ccc3C2=O)C(=O)N1 2325901713 VGJZQSVARKBGTN-AWEZNQCLSA-N 380.364 0.882 0 50 GCAA CC[C@H](C)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763380 ABZLHWFIQIXUGG-SUMWQHHRSA-N 393.440 0.733 0 50 GCAA O=S(=O)(c1ccc(I)cc1)N1CCN(CCO)CC1 12909938 DNIISBMAQGGFND-UHFFFAOYSA-N 396.250 0.590 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)N(CCO)Cc2ccccc2)C[C@@H](C)O1 19227219 USGBQSYSOZWDLS-IYBDPMFKSA-N 388.472 0.303 0 50 GCAA Cc1cc(NC(=O)Cn2cc(-c3nccc(N4CC[C@@H](O)C4)n3)cn2)n(C)n1 23250590 XKEPPIHCGNSOGF-CQSZACIVSA-N 382.428 0.592 0 50 GCAA O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 55252498 GMVRTJGLIKUUEQ-KRWDZBQOSA-N 388.468 0.584 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3nonc3C)C2)nn(CCN(C)C)c1=O 67935287 VTIWNWDVHLCZSN-ZDUSSCGKSA-N 377.449 0.338 0 50 GCAA NC1(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CC1 71774567 QSXFNMAFUXWPOL-INIZCTEOSA-N 385.512 0.892 0 50 GCAA Cc1cc(-c2cn3cc(C(=O)NCCn4cnnc4)nc3c(=O)n2C)c(C)o1 72428716 ZTDUMPDBZLBOMT-UHFFFAOYSA-N 381.396 0.931 0 50 GCAA Cn1c(C(C)(C)NC(=O)C2CCN(S(N)(=O)=O)CC2)nc2ccccc21 186403565 ZPNQCBABJWQWBE-UHFFFAOYSA-N 379.486 0.840 0 50 GCAA C[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1nnnn1C 252510944 ZSDPAHYCOBNVHG-CYBMUJFWSA-N 396.455 0.849 0 50 GCAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)[C@@H](c4ncc[nH]4)C3)cc21 328631444 QXYQIGLNDSBEQW-QGZVFWFLSA-N 389.481 0.996 0 50 GCAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1ccc(O)c(C(=O)O)c1)C2 426392701 DOTQLBRNTXJVQU-UHFFFAOYSA-N 394.409 0.128 0 50 GCAA C[C@H](CN1CCOCC1)N(C)c1ncnc2c1ncn2C[C@H](O)[C@H]1CCCO1 888098014 XCEGGMRENSHBQY-OWCLPIDISA-N 390.488 0.523 0 50 GCAA Cc1cc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc(N2CCCCC2)n1 1529174205 QQTUVUBFUHEESE-LSDHHAIUSA-N 383.518 0.464 0 50 GCAA CCOC(=O)CN(C)c1ncc(CN2CCN3C(=O)OC[C@]3(CC)C2)cn1 1857674931 DHAWJWCMRGNUEQ-SFHVURJKSA-N 377.445 0.893 0 50 GCAA COC1(C(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)CCN(S(C)(=O)=O)CC1 1857706011 GFLDJUWVDPLQTI-CYBMUJFWSA-N 385.490 0.260 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CCO2)n1 1857717372 MYADICLEZNXMHD-AWEZNQCLSA-N 388.428 0.689 0 50 GCAA Cc1cnc(CN2CC3(C[C@@H](NC(=O)CS(C)(=O)=O)c4nccn43)C2)s1 2332238035 VYWTZUOYDROIKW-GFCCVEGCSA-N 395.510 0.465 0 50 GCAA CCOC(=O)COc1ccc([C@@H]2NC(=S)NC(C)=C2C(N)=O)cc1OC 4574717 MQWWBCQNWWOZJI-HNNXBMFYSA-N 379.438 0.915 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)N[C@H](Cn1cccn1)c1ccccc1 20256096 XLQTXXCHFSJRIK-QGZVFWFLSA-N 396.455 0.260 0 50 GCAA CCN1CCN(C(=O)[C@@H]2C[C@H](c3cccc(OC)c3)NS(=O)(=O)N2C)CC1 71375893 JPSUCJLHIPHTPX-SJORKVTESA-N 396.513 0.439 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3n[nH]cc3C2)c1 72150808 UCIOYXNQMVEYRX-SFHVURJKSA-N 383.452 0.694 0 50 GCAA NC(=O)CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77321413 UHTJKXVIVAQZDP-UHFFFAOYSA-N 385.811 0.956 0 50 GCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225706279 IPHAWXRXLSKQAZ-LMSBXDPUSA-N 388.420 0.938 0 50 GCAA O=C(NCc1nnc2ccccn12)N1CCC[C@@H](N2CCCS2(=O)=O)C1 369316059 YGTNKLQKXKQJCB-CYBMUJFWSA-N 378.458 0.439 0 50 GCAA CN(Cc1cnc2ccccc2c1)C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 584892056 CPJXYDRETNXEFN-RDJZCZTQSA-N 381.436 0.818 0 50 GCAA Cc1ncc(CO)c(CN2C[C@@H]3COC[C@H](C2)N(Cc2nccn2C)C3)c1O 1772710534 SGFSVQAKGUAVAS-RDJZCZTQSA-N 387.484 0.654 0 50 GCAA O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCN(CCO)CC1 1775968562 QYPXQTCEFGHKEO-UHFFFAOYSA-N 387.480 0.718 0 50 GCAA CC[C@@H]1[C@H](C(=O)N2C[C@H]3COC[C@H]3C2)C[C@@H]2CN(Cc3ncc[nH]3)CC(=O)N21 1857686421 VZZBEFYRQJKYJA-ZHCJQAHYSA-N 387.484 0.326 0 50 GCAA Cc1cc(O)nc2ccc(S(=O)(=O)N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)cc12 1857711414 YBHGRASAQYXSAX-HOTGVXAUSA-N 391.449 0.869 0 50 GCAA COc1nc2c(cc1CN1CC[C@@]34OCCN3C(=O)C[C@@H]14)C(=O)N(C(C)C)C2 1857736973 XYTPAPYGHDPMLQ-UZLBHIALSA-N 386.452 0.988 0 50 GCAA NCc1nc(C2CCN(C(=O)c3nnn([C@H]4CCNC4)c3C(F)F)CC2)n[nH]1 1875309610 FFTHIGWULTZKRO-JTQLQIEISA-N 395.418 0.347 0 50 GCAA CNc1ncccc1C(=O)N[C@H]1C[C@H](C(=O)NCc2c(C)noc2C)C[C@@H]1O 2100556666 OIHNGBSIULJEBW-RCBQFDQVSA-N 387.440 0.914 0 50 GCAA CCC1CN(C(=O)CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325893114 PXVWTWFRFRTONG-MRXNPFEDSA-N 384.436 0.728 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)N(C)CCCN2CCOCC2)CC1 15080048 CHWVXNLJMKQLHZ-UHFFFAOYSA-N 379.509 0.086 0 50 GCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn(CC[C@H]3CCCCN3)nn1)CC2 77353432 ZOPLTZCCNHZQCR-CQSZACIVSA-N 385.472 0.443 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)CCCn2ccnc2)[C@H]2CS(=O)(=O)C[C@H]21 77437254 RDNYOPHGPDLEBJ-LSDHHAIUSA-N 382.486 0.156 0 50 GCAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C(N)=O)C2)c(OC)c1 95515456 WPVFXVMNDHDCDA-ZDUSSCGKSA-N 377.441 0.824 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CN1C1CCN(CC)CC1 96140773 CWUXBBADKXXBPO-RDJZCZTQSA-N 376.505 0.063 0 50 GCAA O=C(N[C@H]1CCNC1)c1cccc(S(=O)(=O)N2CCc3[nH]ncc3C2)c1 216174829 DLRPIKRIVGXXTF-AWEZNQCLSA-N 375.454 0.248 0 50 GCAA COCCn1cnnc1CCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 299776324 ADPZNCTUJLQKHC-UHFFFAOYSA-N 381.458 0.161 0 50 GCAA CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@H](CN)c2ccc3ccccc3c2)[nH]1 420242113 IEKLHVGLIWDICW-QGZVFWFLSA-N 381.484 0.627 0 50 GCAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2nc(-c4cnccn4)n[nH]2)[C@@H]3C1=O 426549869 DEWRTCDATVZNHV-FIIQBIKZSA-N 395.423 0.070 0 50 GCAA CC(C)(CN1CCOCC1)CN1CCC(CNC(=O)[C@@H]2CCC(=O)N2)CC1 828256452 HWFFBFGNIYZMEW-KRWDZBQOSA-N 380.533 0.452 0 50 GCAA C[C@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CCS(=O)(=O)C1 1321966588 QLRQSBCXLPAECK-GTNSWQLSSA-N 379.438 0.248 0 50 GCAA CCn1cnnc1CCNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529118523 LYMCFEFARFTSQX-MSOLQXFVSA-N 384.440 0.483 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccc2c(c1)OCO2 1704300982 DOYJPUDLWXBSOG-UONOGXRCSA-N 384.454 0.371 0 50 GCAA CCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC[C@H](O)CO)cc12 1857681708 CSZBNULWKOYKJH-LBPRGKRZSA-N 382.482 0.632 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)NCc2ccc(-c3ncon3)cc2)C1 1857684254 FMMDVUFPIHBBPX-CYBMUJFWSA-N 385.467 0.981 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3nnc4n3CCCCC4)C[C@H]2CO1 1857722904 OTHZGENXRRRSEQ-ILXRZTDVSA-N 390.488 0.054 0 50 GCAA O=C(Cn1ncc2ccccc21)N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O 1940195413 BBIKYWXQQVVWBE-YXJHDRRASA-N 386.452 0.541 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCc2cccnc2N)CC[C@@H]1NC(=O)CCO 2100534516 LYXFGXDAOMVDGL-BPUTZDHNSA-N 378.473 0.743 0 50 GCAA CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3c2NC(=O)C3)c1 2325866676 VZNHDXPRCLAKRJ-UHFFFAOYSA-N 381.435 0.890 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)N[C@@H](Cn1cccn1)c1ccccc1 20256093 XLQTXXCHFSJRIK-KRWDZBQOSA-N 396.455 0.260 0 50 GCAA C[C@H](NC(=O)Cn1nnnc1CN1CCOCC1)c1cnn(-c2ccccc2)c1 20999296 FZWUITKRXMLGQP-HNNXBMFYSA-N 396.455 0.568 0 50 GCAA COCCN1CCC[C@@](O)(CN2CCN(c3nc4ccccc4o3)CC2)C1=O 67947939 LDOVTMORXPVKQA-HXUWFJFHSA-N 388.468 0.950 0 50 GCAA Cc1ccc(NC(=O)[C@@H]2CN(C(=O)CSc3n[nH]c(N)n3)CCO2)cc1 72425127 WYJLWIVBWUODJK-LBPRGKRZSA-N 376.442 0.654 0 50 GCAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)[nH]n1 91906830 JPGYYYFOAUOHKZ-UHFFFAOYSA-N 378.458 0.390 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCOCC3)c2)cn1 95387140 MZHUYYOXNGRPNN-UHFFFAOYSA-N 378.454 0.761 0 50 GCAA Nc1nnnn1CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95387372 CEQSQLTZRKODFP-JCURWCKSSA-N 389.410 0.622 0 50 GCAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCn1nnnc1CN1CCOCC1 95497543 FUIVOYVNMILJKF-GFCCVEGCSA-N 376.465 0.123 0 50 GCAA Cc1cn(Cc2nc(Cc3cccc(Cl)c3)nn2CCO)c(=O)[nH]c1=O 96136152 SWRHSFYASHCGLS-UHFFFAOYSA-N 375.816 0.721 0 50 GCAA CC(C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169779250 XPLWVEIGHLTSFF-UHFFFAOYSA-N 393.465 0.824 0 50 GCAA CC(C)c1cc(C(=O)N2CCn3nc([C@H](O)c4nccn4C)cc3C2)nc(N)n1 223260847 NJIBQPLJEAYCQA-INIZCTEOSA-N 396.455 0.850 0 50 GCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1CCN(C2CCN(C)CC2)CC1 299772816 CISULGLTQFEGOG-SFHVURJKSA-N 376.505 0.132 0 50 GCAA CN(CCC(=O)NCc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 828026942 LGRIKTBZUQIMCP-INIZCTEOSA-N 376.482 0.998 0 50 GCAA COc1cccc(SCC(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529187709 XXXZQNAJGGZYKM-SWLSCSKDSA-N 388.511 0.498 0 50 GCAA COCC(=O)N1CC[C@H](NC(=O)c2cc(-c3ccccc3F)[nH]n2)[C@@H](O)C1 1565514619 CUIBYQXSHVZHMK-BBRMVZONSA-N 376.388 0.554 0 50 GCAA Cn1cc(CCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)cn1 1857693676 HEMYVUIXKBCRNA-WSTZPKSXSA-N 375.517 0.559 0 50 GCAA CO[C@]1(C)CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccn(C)n2)CC1 2332237555 BDULQPPPRVAKJE-JFIYKMOQSA-N 398.529 0.341 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)cc1 19888954 JNFYKODINBDONU-OAHLLOKOSA-N 381.498 0.870 0 50 GCAA CCCc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)n[nH]1 20137787 VUFBAPICPOIOMG-INIZCTEOSA-N 391.516 0.891 0 50 GCAA CNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCn2ccc(=O)[nH]c2=O)s1 23478437 AXFIHNSJELIYNQ-NSHDSACASA-N 376.438 0.712 0 50 GCAA Cn1ccnc1CN1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 67964968 NHCSVVBFZOOMEO-QGZVFWFLSA-N 375.517 0.955 0 50 GCAA Cc1nc[nH]c1CN1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72435904 WXWHOWPITKNDRC-JKSUJKDBSA-N 375.454 0.237 0 50 GCAA Cc1nccn1Cc1nnc(C2CCN(C(=O)CN3CCCC3=O)CC2)n1C 96151940 RSIOGBMFIWKQSM-UHFFFAOYSA-N 385.472 0.697 0 50 GCAA Cc1cc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc(C)c1OCC(=O)O 262795609 NRHMZTORVKNPDU-CYBMUJFWSA-N 384.454 0.778 0 50 GCAA CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)C1 332883099 HXJHPBJYPHKGOL-AAEUAGOBSA-N 375.882 0.774 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)N2CCC(N3CCOCC3)CC2)cc1 426674347 SPMCAWMUNLSWIK-UHFFFAOYSA-N 382.486 0.340 0 50 GCAA COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC2(CO)CCOCC2)C1=O 760936961 PYYLXUYGXJQCTM-GOSISDBHSA-N 391.424 0.120 0 50 GCAA COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)cc1C(=O)N(C)C 952966443 IXQPKGQWXRZPQW-HNNXBMFYSA-N 376.457 0.934 0 50 GCAA CN1CC2(CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)OCC1=O 1772805341 LFIIKEDAOHACDN-QGZVFWFLSA-N 385.464 0.852 0 50 GCAA O=C(NCCNS(=O)(=O)CC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 1857687054 JICIHQZPTYGXAA-LBPRGKRZSA-N 392.474 0.300 0 50 GCAA COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NCCn3ccc(C)n3)C[C@H]2O)cn1 1875248230 DZTINCOWVPMVLO-ARFHVFGLSA-N 387.440 0.281 0 50 GCAA O=C(O)C[C@H](Cc1cn(CC(=O)O)nn1)NC(=O)c1cnc(-c2ccccc2)o1 1875359546 IJBUAZYAHKBRON-LBPRGKRZSA-N 399.363 0.834 0 50 GCAA CC(=O)N1c2ccccc2C[C@@H]1C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 1875360035 XHMDDAHHRPJVNF-SJKOYZFVSA-N 387.436 0.620 0 50 GCAA COCCN1CCC[C@@]2(CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)C1=O 2356167166 UGQFPWQANHELFT-LJQANCHMSA-N 386.456 0.985 0 50 GCAA CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1 2803578 LJXONBLJGHLYFH-UHFFFAOYSA-N 390.512 0.660 0 50 GCAA CCOC(=O)[C@@H]1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 19837392 UFBGCTXWVMHCQP-OAHLLOKOSA-N 394.476 0.087 0 50 GCAA Cc1ccc2[nH]c(=O)cc(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)c2c1 72478897 UHYNOVAZZVKKAW-CVEARBPZSA-N 375.450 0.390 0 50 GCAA CCCc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CCS(=O)(=O)CC1 77422061 VKZQWPQVNAPKEC-UHFFFAOYSA-N 378.454 0.244 0 50 GCAA Cn1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)c(=O)c2ccccc21 95368857 FAKNSOAXNOTTBJ-AWEZNQCLSA-N 383.404 0.734 0 50 GCAA CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCn3ccnc3)c2)C1 215928359 LXXGURUMTOQUDG-OAHLLOKOSA-N 378.454 0.723 0 50 GCAA CCC1(CNC(=O)c2ccc(S(=O)(=O)N[C@H]3CNC[C@@H]3O)cc2)CCC1 219893411 VMERWGCJIAVONW-HOTGVXAUSA-N 381.498 0.608 0 50 GCAA COC(=O)c1ccc(NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(OC(F)F)c1 454808223 HTOIMOAXFVXAEQ-DTORHVGOSA-N 383.307 0.811 0 50 GCAA O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N(CCO)Cc1cccs1 952973834 BNXMRQLOEONVRY-OAHLLOKOSA-N 386.539 0.968 0 50 GCAA COc1cccc2ccc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)nc12 1529167464 KFFKFNDJAXUHAH-GOEBONIOSA-N 379.482 0.928 0 50 GCAA Cn1nccc1CCC(=O)N1C[C@H]2CN(C(=O)c3cnsc3)C[C@]2(CO)C1 1772709325 OHVOOICDTTYYKP-KSSFIOAISA-N 389.481 0.402 0 50 GCAA Cc1cc(-c2nnc3n2C[C@@]2(CCN(C(=O)c4c[nH]c(=O)cn4)C2)OC3)no1 1857688592 RTYUVTSYMGPUHY-KRWDZBQOSA-N 383.368 0.140 0 50 GCAA Cn1ccnc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2ccc3c(c2)OCO3)C1 1857689309 NGQIJLFTRFLIQB-FOIQADDNSA-N 384.436 0.914 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)NCCn3c(C)cc(C)nc3=O)CC2=O)s1 1857723474 HVRCPYZQUHNFOT-LBPRGKRZSA-N 390.469 0.443 0 50 GCAA Cn1ncc2c(Nc3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)ncnc21 1857797836 YZTQCOKWZRAQEQ-CQSZACIVSA-N 391.391 0.868 0 50 GCAA Cn1ccnc1[C@]1(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)NC(=O)NC1=O 1875328688 HJBKNTFQLZWVSV-SFHVURJKSA-N 379.380 0.275 0 50 GCAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(-c4cn[nH]c4)nn3)C2=O)C(=O)N1 1875356294 NYHNKCZBZCPUKN-HNNXBMFYSA-N 377.364 0.418 0 50 GCAA CO[C@H](C(=O)NCC1CN(C(=O)c2c(C)nn3ccccc23)C1)[C@H]1CCOC1 2325828691 OFCUFAWZPKGNID-YJBOKZPZSA-N 386.452 0.882 0 50 GCAA O=C1CN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)CCN1 20783512 SLCGCSMGQKTBLK-UHFFFAOYSA-N 383.452 0.564 0 50 GCAA O[C@H]1CN(Cc2ccc3nonc3c2)C[C@@H]1N1CCN(c2ccccn2)CC1 23359244 CWCLEBXWXQVIOA-OALUTQOASA-N 380.452 0.985 0 50 GCAA CCN1C(=O)NC(=O)C12CCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)CC2 91325356 PLXCHNYYWRSAHO-UHFFFAOYSA-N 375.429 0.614 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)N2CCO[C@@H](c3cccnc3)C2)CC1 95529926 XPYYKIMVMJCUNQ-QGZVFWFLSA-N 385.472 0.900 0 50 GCAA Cc1nonc1C(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96138646 KMPTYDJZQNEMPU-UHFFFAOYSA-N 375.433 0.359 0 50 GCAA Cn1c(=O)c2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)ccc2n(C)c1=O 105823391 JUQDYHAWPQOVFF-AVGNSLFASA-N 377.466 0.952 0 50 GCAA COc1ccccc1[C@H]1CN(C(=O)CCN2CCN(C)CC2)C[C@@H]1C(=O)O 220032162 VZLLGGDXBMCWNP-SJORKVTESA-N 375.469 0.959 0 50 GCAA CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 252476885 DFIBGLBDGCQAJP-STQMWFEESA-N 377.488 0.432 0 50 GCAA CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@H](C(=O)O)C2)ccc1F 274967221 BXWMPHHJWVSXCJ-GHMZBOCLSA-N 388.373 0.580 0 50 GCAA O=C(C1CCC1)N1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1 426578604 NJCVJPRXNAFYEZ-HNNXBMFYSA-N 375.473 0.833 0 50 GCAA Cc1nccnc1N1CCOC2(CCN(C(=O)CN3CCOC3=O)CC2)C1 952869679 YIDFTABZQNWQBB-UHFFFAOYSA-N 375.429 0.435 0 50 GCAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cc(=O)n(C)c(=O)n2C)n1 952974391 BNYCTWGKSXPEDY-SECBINFHSA-N 387.362 0.674 0 50 GCAA Cn1nc(C(=O)O)c2c1CCN(CC(=O)Nc1nnc([C@H]3CCCO3)s1)C2 1529154254 ZYTINVCAMMABGV-LLVKDONJSA-N 392.441 0.818 0 50 GCAA Cn1cnc(S(=O)(=O)N2C[C@@H]3CN(C4CCCCC4)C[C@]3(C(=O)O)C2)c1 1565514029 FTTCMTHQGRKJNH-GUYCJALGSA-N 382.486 0.760 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1nc2ccccc2[nH]1 1704327750 FVFVRISOMHRTRP-SWLSCSKDSA-N 380.470 0.518 0 50 GCAA CN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1=O 2356148089 GSZHTKYLEYKQJE-QGZVFWFLSA-N 379.438 0.907 0 50 GCAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1C(CO)(CO)CO 4147033 HEWAOASXDVEOMG-BTRQGYIVSA-N 379.412 0.594 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCc2cn[nH]c2)c1 12467548 VYEQNNVCLZRWSV-GOSISDBHSA-N 385.468 0.810 0 50 GCAA COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC 19821034 KYIWHODDQFKLHY-WFASDCNBSA-N 377.484 0.179 0 50 GCAA O=C(NCCc1nnc2n1CCN(Cc1ccc(O)cc1)CC2)[C@H]1CCCO1 23130479 ZFJSCXQINBMUON-QGZVFWFLSA-N 385.468 0.880 0 50 GCAA Cc1nc(N)nc(C)c1CC(=O)N1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 77408073 PRNJZWWMLGBPPR-HZPDHXFCSA-N 384.440 0.005 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)Cc3ccc(O)c(F)c3)C[C@@H]2CO)CC1 91459952 OYFIFBNWTRPJOB-IAGOWNOFSA-N 379.476 0.778 0 50 GCAA CS(=O)(=O)N1CC[C@]2(O)CCN(C(=O)c3cnn4ccccc34)C[C@@H]2C1 95364128 AJUXBHXSDGXTIN-CXAGYDPISA-N 378.454 0.193 0 50 GCAA O=C(CN1CC2(CCNCC2)OC1=O)N(Cc1cocn1)Cc1cocn1 95521167 DFEDQOZSVXPYGS-UHFFFAOYSA-N 375.385 0.766 0 50 GCAA CN(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 95522725 IDPOJLRXEDBRJR-CQSZACIVSA-N 383.470 0.592 0 50 GCAA Cc1nsc(N2CCN(C(=O)c3cc(CN4CCN(C)CC4)on3)CC2)n1 170595079 MBAIDJSXUVHULB-UHFFFAOYSA-N 391.501 0.544 0 50 GCAA CNCC1CCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 237102822 ZLUVNFJPASUGKV-SFHVURJKSA-N 399.495 0.582 0 50 GCAA Cc1nc[nH]c1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299800795 VVDBPRMPFVCEHC-KRWDZBQOSA-N 389.500 0.797 0 50 GCAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 328640576 XMVFQPLLZWAAIF-ZDUSSCGKSA-N 397.478 0.879 0 50 GCAA O=C1NCC(=O)N2C[C@H](NC(=O)N3CC(Oc4cccc(Cl)c4)C3)C[C@@H]12 584902194 MNQURDPFQDIDQN-RISCZKNCSA-N 378.816 0.212 0 50 GCAA CO[C@@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)C3CC(C)C3)CCS2(=O)=O)C1 952880557 GOHVELMMEDOMNF-QDIHITRGSA-N 386.514 0.686 0 50 GCAA Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)N3C[C@H](C)O[C@H](C)C3)C2)n1 1857683418 SSKJJEZIZWXEAV-AXVVYFOYSA-N 390.484 0.611 0 50 GCAA CN1CCC(c2nnc3n2C[C@@]2(CCN(C(=O)c4cnccn4)C2)OC3)CC1 1857687121 LSFLPIQEOGZFIY-IBGZPJMESA-N 383.456 0.692 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)CN1CCCCC1=O 1857706914 BKKLBERCIHKRPP-ARFHVFGLSA-N 381.473 0.158 0 50 GCAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1857733702 VFECXUANCFZHBZ-JTQLQIEISA-N 381.483 0.913 0 50 GCAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CNC(=O)N(C)C)cc1OC 1857736557 MPXGDAAVQHUTBI-RDJZCZTQSA-N 381.429 0.236 0 50 GCAA Cc1c(C(=O)NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cnc2ccnn12 2325819445 DYAHWJIOBRGRON-UHFFFAOYSA-N 390.425 0.772 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(SCC(N)=O)n2Cc1ccc(Cl)cc1 627132 XFANYARNVNTMIQ-UHFFFAOYSA-N 379.829 0.702 0 50 GCAA CC(C)C(=O)N1CCN(Cc2cnc(N(C)C)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72480583 GXRBVRGHKFZDPP-LSDHHAIUSA-N 381.502 0.008 0 50 GCAA C[C@@H](N)[C@@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 269261234 JLGMUESGGNNXCQ-NXEZZACHSA-N 397.277 0.478 0 50 GCAA CCc1nnc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)s1 328615447 YKXJKWYRHULKSH-NSHDSACASA-N 398.514 0.791 0 50 GCAA CS(=O)(=O)CC1(CC(=O)N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)CC1 372796988 MOSWUEUXZVJRCN-GFCCVEGCSA-N 396.469 0.840 0 50 GCAA CC1(C)COc2c(S(=O)(=O)N3CCC[C@@H](N4CCNC4=O)C3)cnn2C1 913970343 WPLGVTFCFXOJPE-GFCCVEGCSA-N 383.474 0.480 0 50 GCAA Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCOC[C@@H]3OCCO)CC2)c1 1565512179 NZZIDOLCTGOJFX-PMACEKPBSA-N 391.512 0.790 0 50 GCAA CSCC(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)c1cn[nH]c1)[C@@H]2O 1704312103 ZWRYRRYJDQPVFV-JKSUJKDBSA-N 382.486 0.404 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ncc(F)cc2F)ncn1 1857529733 KAWOFWKSVWQIEW-VXGBXAGGSA-N 378.383 0.585 0 50 GCAA Cc1ncc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)CC[C@@H]2NC(=O)NC2=O)cn1 1857691778 CVDBKAZUXXSAGR-QSJFSLAZSA-N 386.456 0.100 0 50 GCAA O=C([C@@H]1CCCCn2nnnc21)N1CCc2nc(C3CCOCC3)nn2CC1 2356162433 CDWOVSJLEKEWOD-CQSZACIVSA-N 386.460 0.511 0 50 GCAA COC(=O)[C@H](CCSC)NC(=O)Cn1nnnc1CN1CCCCCC1 19147757 FSWDIEJINVDIOB-ZDUSSCGKSA-N 384.506 0.460 0 50 GCAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCN(C(=O)c3nc[nH]n3)CC1)C2 67540293 BTAPKSUURDKYKV-GFCCVEGCSA-N 387.444 0.425 0 50 GCAA CC(=O)NCCNc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67673090 CDFNSKBTCXQKQY-UHFFFAOYSA-N 375.473 0.566 0 50 GCAA CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)[nH]1 72131830 HAMHVDHTWJRSDA-KBPBESRZSA-N 384.484 0.870 0 50 GCAA CC[C@H](N)C(=O)N1CCC2(CC1)CN(CCN1CCN(CC)CC1)C(=O)O2 77522505 WVZIYGNDYAXLMK-INIZCTEOSA-N 381.521 0.175 0 50 GCAA O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 91626279 ILTZHDNGKDXSBS-GFCCVEGCSA-N 377.832 0.849 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3cccc(O)c3)cc2C1 91664024 AKKXCDDOZKOXGN-UHFFFAOYSA-N 378.454 0.613 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)CN(C)Cc3ccccc3)C[C@@H]2CO)CC1 91965996 QHGYCXKCSRLBEM-NHCUHLMSSA-N 388.556 0.823 0 50 GCAA CCc1nc(C)ccc1OCC(=O)N1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 95360899 MTJMDEQXOTYGOK-QZTJIDSGSA-N 390.528 0.646 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3c1CCCC3)C2 95378256 WHKDOMBRWXMWAQ-QWHCGFSZSA-N 381.502 0.631 0 50 GCAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(N2CCS(=O)(=O)CC2)CC1 180298733 JFZQWPBLVHMGPL-UHFFFAOYSA-N 392.481 0.051 0 50 GCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1C(=O)OC)[C@@H]1[C@@H]2[C@]1(COC(C)=O)[C@]34COC(C)=O 253493496 UGZGXXPIUYOPTJ-XGEHLUEXSA-N 392.404 0.429 0 50 GCAA O=C(NCC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1cnc2ccccc2c1O 298977192 GZKFJQGBUMOGQY-INIZCTEOSA-N 382.420 0.940 0 50 GCAA Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCN1C(=O)c1ccc3c(c1)OCO3)C2 377952597 URZCNRCHJCOUJA-CQSZACIVSA-N 383.408 0.962 0 50 GCAA CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 487370972 ROBXAIJPMHYJNL-NEPJUHHUSA-N 399.469 0.688 0 50 GCAA Cc1nn(C)c(C)c1OCC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 758528864 MCTOOUBDTCGYNH-UHFFFAOYSA-N 392.437 0.207 0 50 GCAA CCN1C(=O)CO[C@H](C(=O)NS(=O)(=O)CC(C)(C)C)[C@H]1c1cnn(C)c1 850836712 RRDBKAORGBWWFJ-KGLIPLIRSA-N 386.474 0.201 0 50 GCAA Cn1c(NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)nc2c1c(O)nc(=O)n2C 1529191848 GGZMLGSYAJMHKQ-IMWAJYHESA-N 397.443 0.519 0 50 GCAA O=C(c1cnc2ccccn12)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565511103 RDMSNFGUOVSVSK-CABCVRRESA-N 398.448 0.252 0 50 GCAA CCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)nc2onc(C)c12 1772811116 PYWZWXSMTRLGMJ-QWHCGFSZSA-N 394.453 0.651 0 50 GCAA CCOc1ccc2cc(C(=O)NC[C@]3(c4nccn4C)NC(=O)NC3=O)[nH]c2c1 1775985577 YKUYMUCUGADCQC-LJQANCHMSA-N 396.407 0.765 0 50 GCAA CN(C)C(=O)CCCC(=O)N1CCC(O)(CNC(=O)c2cncc(F)c2)CC1 1775992584 SGVWFHRMYPHVHV-UHFFFAOYSA-N 394.447 0.563 0 50 GCAA O=C(Cn1cnnn1)N1CCC2(CC1)CC(=O)N(CC1CCCCC1)CCO2 1857684062 XTOBOJNCSXBWNS-UHFFFAOYSA-N 390.488 0.864 0 50 GCAA CCOC(=O)C1(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC2(CCC2)C1 1875347613 RCRQPHDXMRPGGK-CYBMUJFWSA-N 380.441 0.780 0 50 GCAA Cc1ccc(C(=O)NCCCn2ccc(O)nc2=O)cc1S(=O)(=O)N(C)C 1875359556 IRZICDSIFXPRTE-UHFFFAOYSA-N 394.453 0.328 0 50 GCAA CN1CCN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCc3ccccc3F)C2)CC1 2100543374 RAESAKGQQAKDRW-CGTJXYLNSA-N 377.460 0.788 0 50 GCAA CCN1CCC(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)[C@H]2CC=CCC2)CC1 2332237920 QOYJABRQISLPKD-USXIJHARSA-N 397.541 0.473 0 50 GCAA Cn1cccc1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)CCO 2356149402 YICTZSWSWFDRNG-HOQQESESSA-N 397.475 0.740 0 50 GCAA Cn1ncc(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)C3)CC2)cc1=O 20205337 WAZZPDOQKMMOQQ-GOSISDBHSA-N 381.480 0.918 0 50 GCAA CCOCCn1c(=O)n(C[C@H](C)N2CCOCC2)c2cc(C(=O)O)cnc21 55358734 ZCOJZJJEJOBLHJ-ZDUSSCGKSA-N 378.429 0.653 0 50 GCAA O=C1OCCN1CCNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67820660 GKURXTQAFNSIOH-SFHVURJKSA-N 383.395 0.860 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCOCC3)[C@H]4C2=O)c1 77287938 RFOBIMMTBWPOCG-NYUBLWNDSA-N 384.432 0.836 0 50 GCAA NC(=O)COc1cccc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c1 91859535 ABVKXKABIGKUAM-HZPDHXFCSA-N 375.469 0.717 0 50 GCAA CS(=O)(=O)NCCNC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 95500608 BLVVKOIGKGAWQF-CQSZACIVSA-N 384.458 0.266 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)O)CC2)c1 96166355 GPPBXVSASQEUIE-GOSISDBHSA-N 383.452 0.878 0 50 GCAA CSCCN(C)C(=O)c1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1 97594741 QUOOUWYJPZDBDW-UHFFFAOYSA-N 385.511 0.679 0 50 GCAA CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)O)cc1 263506874 WAYJDZMQWDWLPZ-AWEZNQCLSA-N 394.471 0.342 0 50 GCAA C[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266688737 UVBITYCDOYYHGI-TXNBRISYSA-N 395.419 0.434 0 50 GCAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)n1 328615765 ZEAIEICNXYQRNH-INIZCTEOSA-N 378.410 0.545 0 50 GCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 332799703 QISRZUKFHFGMPQ-KGLIPLIRSA-N 375.491 0.438 0 50 GCAA Cc1cnc(CNC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)[nH]1 426598895 NXKXGRREBPELKV-GOSISDBHSA-N 396.455 0.443 0 50 GCAA O=C(NCCn1ccc2cc(Cl)ccc21)N1CCN2[C@H](CNS2(=O)=O)C1 922422388 WVEXIPACQJHQCJ-CQSZACIVSA-N 397.888 0.839 0 50 GCAA O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 952873033 TWXRUVPFTOUWNP-OAHLLOKOSA-N 376.475 0.855 0 50 GCAA COCc1ncc(CN2CCC3(CC2)CN(CCn2cnnc2)CCO3)cn1 952873502 KWHZUMSQIWVKGA-UHFFFAOYSA-N 387.488 0.582 0 50 GCAA Cn1cc(-c2ccnc(C3CCN(C(=O)CCn4ncn(C)c4=O)CC3)n2)cn1 952893437 UCHWMRJGKNECND-UHFFFAOYSA-N 396.455 0.569 0 50 GCAA O=C(NCc1noc(-c2ccccc2)n1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1565506068 TZBUPTDQTJKNMK-OLZOCXBDSA-N 377.426 0.017 0 50 GCAA O=C(O)COc1ccccc1CN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1565512371 TWWNJRKQTIHWQT-RDJZCZTQSA-N 385.420 0.910 0 50 GCAA CNC(=O)c1cc2n(n1)CC1(CCN(CC(=O)N(C)CC3CC3)CC1)OC2 1775962002 NCYOLZQSEKITQR-UHFFFAOYSA-N 375.473 0.476 0 50 GCAA CN(C)C(=O)CN1CC2(CCN(c3ncc(Cl)cn3)CC2)OCCC1=O 1857715263 JKMDOLSRBSRJBC-UHFFFAOYSA-N 381.864 0.806 0 50 GCAA CCN=S1(=O)CCC2(CC1)CN(Cc1cc(C3(O)COC3)on1)CCO2 1875405879 QOAAIYAFFWPVMN-UHFFFAOYSA-N 385.486 0.745 0 50 GCAA CC(C)(C)NS(=O)(=O)C1(CN=c2cc[nH]cc2S(N)(=O)=O)CCC1 2325861199 IQFGZEKVUMNFDW-UHFFFAOYSA-N 376.504 0.203 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnn3cc[nH]c(=O)c23)c1 2325862926 NYPPTWBFUSESJG-UHFFFAOYSA-N 383.368 0.272 0 50 GCAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)c2nc(=O)n(C)[nH]2)CC1 2356151900 FXFNWRDRATUZSB-UHFFFAOYSA-N 379.848 0.907 0 50 GCAA CN(C)C(=O)Cc1nnc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)s1 2356152563 PLQLIYGTHKXKKW-GFCCVEGCSA-N 386.441 0.578 0 50 GCAA NC(=O)CCN(CCC(N)=O)S(=O)(=O)c1ccc(Br)cc1 2314956 VPZMFVZJGRDHRS-UHFFFAOYSA-N 378.248 0.191 0 50 GCAA COCCN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 23373119 SKBONWVVEOGQBS-SFHVURJKSA-N 381.517 0.761 0 50 GCAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CC2)C(=O)NCCN3C)c1C 67934158 DYLABQHZUQRXQD-UHFFFAOYSA-N 376.457 0.845 0 50 GCAA CC(=O)N1CCN(C(=O)COc2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 72422072 YZWRGSDUHTWDPT-CABCVRRESA-N 386.857 0.575 0 50 GCAA Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 97642540 BALPRXTZZNDSMO-CQSZACIVSA-N 378.454 0.460 0 50 GCAA CN[C@@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 133575205 URILYZLUAUBZFT-SECBINFHSA-N 383.250 0.103 0 50 GCAA 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377.489 0.614 0 50 GCAA CCOCCNC(=O)c1cc2c(s1)C1(CCN(C(=O)CN)CC1)OCC2 1857688419 ILNZZFQFPDIRDV-UHFFFAOYSA-N 381.498 0.864 0 50 GCAA CNC(=O)Cc1nc(-c2cccnc2N(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 1857713399 HJQCCYBLALAFJM-LLVKDONJSA-N 378.458 0.054 0 50 GCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3[nH]ccn(C4CC4)c3=O)C2)c1C 1875397507 CEZUOFUCZLXEQE-CQSZACIVSA-N 397.483 0.800 0 50 GCAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H](C(=O)NC3CCOCC3)C[C@H]2O)nc(=N)[nH]1 2100477661 FVJDIQVTAJMJAK-SGIREYDYSA-N 391.472 0.177 0 50 GCAA O=C(NCCN1CCCS1(=O)=O)[C@H]1CCCn2c(Br)cnc21 2325799712 RWDMZXUUZIRWJT-JTQLQIEISA-N 391.291 0.675 0 50 GCAA COCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N(C)[C@@H](C)Cc1ccsc1 2332237543 AODSBXRLVRSOAA-IACUBPJLSA-N 388.511 0.313 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C)CC2)cc1OC 11878425 KSCFYEXOFWLQEJ-MRXNPFEDSA-N 390.484 0.168 0 50 GCAA Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 20599493 HWSZLHNKWNUTQK-GOSISDBHSA-N 383.452 0.694 0 50 GCAA Cn1c(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)nc2ccccc21 96164541 KSYUAIBQJYBIKJ-SJKOYZFVSA-N 378.454 0.351 0 50 GCAA CC(C)[C@@H]1OCC[C@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 252536748 JKYSXKWVASGSRQ-XEZPLFJOSA-N 385.486 0.329 0 50 GCAA CSCC[C@@H](NC(=O)CCc1ccc2c(c1)nc(O)c(=O)n2C)C(=O)O 252540332 PDMYZKBDWZMHJP-LLVKDONJSA-N 379.438 0.894 0 50 GCAA NS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 253424497 HCZURHSQECLICO-CYBMUJFWSA-N 388.465 0.399 0 50 GCAA O=C(Cn1cccn1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299774616 HMXVOBRQCSJVEA-QGZVFWFLSA-N 375.473 0.244 0 50 GCAA CN1CC[C@@H]2OCCN(c3ncnc4c3ncn4CC3(O)CCOCC3)[C@@H]2C1 888097164 CUEUPSCUOTYRMS-CABCVRRESA-N 388.472 0.277 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCNS(C)(=O)=O)C1)CC2 1704299352 OFGFVFXMMSWEOG-QGZVFWFLSA-N 381.502 0.288 0 50 GCAA COc1ccc2[nH]c(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2c1 1704338927 AEGWFNXDMGIEKZ-LRDDRELGSA-N 381.454 0.813 0 50 GCAA Cc1nncn1CCN1C[C@H]2CN(C(=O)Cc3cccc(O)c3)C[C@@]2(CO)C1 1772807662 QVGOSTDMYILULG-FXAWDEMLSA-N 385.468 0.288 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)N2CCc3nocc3C2)C1)c1cn[nH]c1 1857681164 AUHYBMFBVSRHIU-HNAYVOBHSA-N 384.440 0.709 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3csc(-c4ncccn4)n3)C[C@@H]12 1857731281 NWVYXYFVIWLAMT-UHTWSYAYSA-N 393.494 0.399 0 50 GCAA COC(=O)N1CC[C@@H](NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)C1(C)C 1875400339 WZVLDGQRLBSBIV-RBSFLKMASA-N 392.504 0.691 0 50 GCAA Cc1noc(C)c1CCC(=O)N[C@H]1C[C@H](C(=O)NCc2cnccn2)C[C@@H]1O 2100534557 NNHNTHUBRNLGJQ-JQFCIGGWSA-N 387.440 0.586 0 50 GCAA Cc1ocnc1C(=O)N1CCc2c(ncn2C)[C@]12CCN(C(=O)[C@@H]1CCOC1)C2 2325776889 LYQHVVABXWYKOJ-JLTOFOAXSA-N 399.451 0.879 0 50 GCAA COc1cc(NC(=O)N2CCO[C@H](CNS(C)(=O)=O)C2)cc(Cl)n1 2325827427 FTADAUGPGMSEEP-SNVBAGLBSA-N 378.838 0.526 0 50 GCAA Cn1c(=O)c2c(ncn2CC(=O)N2CCC(Cc3ccccc3)CC2)n(C)c1=O 851793 HSEKGOIRDZHDAA-UHFFFAOYSA-N 395.463 0.915 0 50 GCAA CCn1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 2732765 NZOBIXAWCBEKLU-CQSZACIVSA-N 394.501 0.662 0 50 GCAA Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55254286 YJXLVLMWMDQVJM-INIZCTEOSA-N 375.404 0.866 0 50 GCAA O=C(NCCCN1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 65363976 LCYSVMRDMFIRFA-UHFFFAOYSA-N 381.498 0.923 0 50 GCAA Cc1nc(S(=O)(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cn1C 72147022 HGJCYRGCMIEOQF-UHFFFAOYSA-N 379.490 0.398 0 50 GCAA O=C(Cn1cnnn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72157417 MIOWBKSACCSGMY-GDIGMMSISA-N 382.424 0.491 0 50 GCAA COCCN1CCN(C(=O)NCc2ccccc2C)[C@H]2CS(=O)(=O)C[C@H]21 91460494 URFILDZNXWWSGT-SJORKVTESA-N 381.498 0.634 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)C2=O)cn1 117695932 KLINXYWKGJROOK-ROUUACIJSA-N 395.463 0.875 0 50 GCAA O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N[C@@H]1CCc2[nH]ncc2C1 178319096 IKFBWFICWUUNBV-OAHLLOKOSA-N 383.456 0.302 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)Nc3cc([C@@H]4CCCOC4)nn3C)C2=O)cn1 280296110 WRTJCLZUWDDFRK-TZMCWYRMSA-N 387.444 0.975 0 50 GCAA CC[C@@]1(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)OCCc2ccccc21 290110453 FXQPMVFIZVZPLJ-SFHVURJKSA-N 393.465 0.241 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C)(C)c2nnc(N)s2)o1 426401884 NZIQDZUQCDXXDY-GFCCVEGCSA-N 392.485 0.764 0 50 GCAA Cc1cccn2cc(CNC(=O)[C@H]3[C@@H]4CC[C@@]5(CN(CCN)C(=O)[C@@H]35)O4)nc12 426413046 VXSQUVZXAWBRTD-MFCZKXCZSA-N 383.452 0.224 0 50 GCAA COC(=O)c1nc2nc(C)cc(N3CCC([C@H](O)c4ccnn4C)CC3)n2n1 856784203 UACSHYXWMKLSRM-HNNXBMFYSA-N 385.428 0.903 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(F)c1 1704340796 UNTYVYUOBLGQLE-AAEUAGOBSA-N 380.463 0.319 0 50 GCAA Cc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2c(C)nn(C)c2n1 1704343545 JXJARFOLTNIQKQ-GXTWGEPZSA-N 395.485 0.221 0 50 GCAA COCCOCC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3F)C[C@@]2(CO)C1 1772813959 CJUGWAKHVKMPDJ-KXBFYZLASA-N 384.423 0.881 0 50 GCAA CN(C)C(=O)Cc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)s1 2100536913 FHMQOKPSCMWFQD-NSHDSACASA-N 388.453 0.551 0 50 GCAA Cc1nc2nc(C)c(NC(=O)c3sc(N4CCOCC4)nc3C)c(=O)n2[nH]1 2100556742 RASBGXVOOWAXPC-UHFFFAOYSA-N 389.441 0.888 0 50 GCAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCO1 2325887062 SMSFAFLRCMVUPK-GDBMZVCRSA-N 385.420 0.699 0 50 GCAA COc1ccccc1N1C[C@H](C(=O)N2CCC3(CC2)CNC(=O)CO3)CC1=O 2356136581 ACMFNCDIFNRTBY-CQSZACIVSA-N 387.436 0.556 0 50 GCAA Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCc3n[nH]c(C)c3C)C2)no1 2356144300 QKYKUKYSBSJSDP-IAOVAPTHSA-N 389.456 0.828 0 50 GCAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c2cccc(=O)n21 2356145286 JOFRBPNNXFUYOE-ZNMIVQPWSA-N 398.463 0.846 0 50 GCAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCN(C)CC4)n3)c(C)n2)CC1 36235761 HIUCYAPLHOOAQO-UHFFFAOYSA-N 398.515 0.429 0 50 GCAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)Nc2cccnc2)cc1 65375668 BTYYVJZLQHEJPR-QGZVFWFLSA-N 381.436 0.770 0 50 GCAA CS(=O)(=O)CCNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67840290 HWNNGTGBPFRLBV-MRXNPFEDSA-N 376.425 0.453 0 50 GCAA O=C(CCc1cc2n(n1)CCCNC2)NCCc1nc2ccccc2c(=O)[nH]1 72407983 GKNKKWIGVZPXPY-UHFFFAOYSA-N 380.452 0.904 0 50 GCAA O=C(CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1)Nc1nncs1 264978108 GMWZTZYESFNKPQ-UHFFFAOYSA-N 387.465 0.798 0 50 GCAA CN[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOC(C)(C)C2)c1)c1cnn(C)c1 367515271 ZOWLZBDBMYEYCW-MRXNPFEDSA-N 389.460 0.153 0 50 GCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)NC[C@@H]1CCCO1)CC2 426574717 LDGYWHGAKGAIRT-ZDUSSCGKSA-N 388.472 1.001 0 50 GCAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)C1 1506426934 QMYWABNYJOANPA-MRXNPFEDSA-N 397.497 0.724 0 50 GCAA CNc1nc(N2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)nc2c1CCC2 1565512694 LCFCJBVNLRRABF-SJCJKPOMSA-N 381.502 0.230 0 50 GCAA C[C@@]1(O)CCOC2(CCN(S(=O)(=O)c3cccc(C(=O)O)c3)CC2)[C@H]1O 1704303389 IQOPQYXZKIVWQG-JKSUJKDBSA-N 385.438 0.440 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)NC1 1772809193 OTGSPXXMDNZXST-UHFFFAOYSA-N 388.468 0.271 0 50 GCAA COC1(C(=O)NCCCn2ccnn2)CCN(C(=O)[C@@]2(C)CCCCO2)CC1 1857667828 YHUQQMFOXLXVBY-GOSISDBHSA-N 393.488 0.751 0 50 GCAA CN1C(=O)C2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)c2ccccc21 1857675214 OFYSSKCAGCVMRZ-UHFFFAOYSA-N 378.396 0.536 0 50 GCAA Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)o1 1857708343 PDODNFGLLIYFJC-STQMWFEESA-N 390.417 0.902 0 50 GCAA Cc1nn(CC(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(=O)c2ccccc12 1857713147 YYAJRDIRQYMPGE-UZLBHIALSA-N 382.420 0.655 0 50 GCAA NC(=O)[C@H]1Cc2ccccc2N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1 2325730492 VNVSBVMMPMTFSH-IRXDYDNUSA-N 381.432 0.963 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NCCOc2nonc2C)CC[C@H]1N=c1[nH]nc(C)o1 2356163024 PNRMLLZYUCCHEH-YNEHKIRRSA-N 380.405 0.282 0 50 GCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 15065967 DRGXSTYJZWQPSF-AWEZNQCLSA-N 393.440 0.026 0 50 GCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67447016 OKDGZKFJXZFWIX-INIZCTEOSA-N 387.415 0.683 0 50 GCAA Cc1cn(CCNC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)nn1 71745409 IGUPDKIPHVESRA-OAHLLOKOSA-N 386.456 0.692 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3nccc(OC)n3)CC2)C1 71777218 XVNBNVZAMACYDV-HNNXBMFYSA-N 377.489 0.929 0 50 GCAA CCCCc1nn(CC(=O)NC[C@H](C)O)c(=O)n1-c1ccc2c(c1)OCO2 77341430 GHNNCCOYUVCDMR-LBPRGKRZSA-N 376.413 0.602 0 50 GCAA Cc1nc(N2CCCCC2)ncc1C(=O)N1C[C@H](CO)[C@H](CN(C)CCO)C1 91410403 IRFDNNVJNCZUPX-IAGOWNOFSA-N 391.516 0.380 0 50 GCAA CN(C)c1cnn(CC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c(=O)c1 95531561 LJPHUXVTAIVYOM-OAHLLOKOSA-N 375.473 0.703 0 50 GCAA Cn1c(CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)cc(=O)n(C)c1=O 281937917 DVBDIWBKENXCOS-OAHLLOKOSA-N 383.408 0.708 0 50 GCAA CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@@H]1CNCCO1 299740418 ZPAPSGBKEWDPHJ-HNNXBMFYSA-N 376.413 0.690 0 50 GCAA CC(=O)N1CCC(C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)CC1 299784217 JEKXHXQDYPIKLS-UHFFFAOYSA-N 375.473 0.756 0 50 GCAA CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cncc(F)c2)cn1 481258235 NKQBVLARHHBKCS-CQSZACIVSA-N 388.446 0.598 0 50 GCAA CN(C)c1nccnc1-c1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1 534670175 NYQIEOZZNMLZLF-UHFFFAOYSA-N 382.468 0.889 0 50 GCAA OCC1(Cn2cnc3c(N4CCN5CCOC[C@@H]5C4)ncnc32)CCOCC1 888097837 QIONHRJCRFNEDS-HNNXBMFYSA-N 388.472 0.136 0 50 GCAA Cn1cc(N2C[C@H](C(=O)N[C@H](c3nc(=O)o[nH]3)C(C)(C)C)CCC2=O)cn1 1299827103 IZWZCRUAHNDESA-ZWNOBZJWSA-N 376.417 0.743 0 50 GCAA O=C([C@H]1CC[C@H](NC2CCOCC2)[C@@H](O)C1)N1CCC(c2nc[nH]n2)CC1 1857693593 DBNZADLIYCRZNQ-XIRDDKMYSA-N 377.489 0.809 0 50 GCAA O=S1(=O)CC[C@@H](CCS(=O)(=O)N2CCc3[nH]nc(C4CC4)c3CC2)C1 1857701641 XMJOEBZWVJNSFV-LBPRGKRZSA-N 387.527 0.842 0 50 GCAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cnccn4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857738478 JREYJITWGZYLPG-FAYLSGKYSA-N 381.440 0.144 0 50 GCAA COc1cnc(C)cc1C(=O)N[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1O 1875248347 LVAFUZFPQKIMCN-APHBMKBZSA-N 387.440 0.350 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)NCc1nc2ccccc2o1 1875395931 QDJHCBUDPIPOHM-MRXNPFEDSA-N 389.437 0.737 0 50 GCAA CN1CCN(CCNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3ccc(F)cc3)C2)C1=O 2100473696 SQPSIPRYDAGHQX-BPUTZDHNSA-N 392.431 0.179 0 50 GCAA CO[C@H]1C[C@H](OC(C)(C)C)CN(C(=O)c2ccn(Cc3nc(=O)o[nH]3)n2)C1 2325821825 DJTVJUOORHQQOM-RYUDHWBXSA-N 379.417 0.652 0 50 GCAA Cc1cnn(C)c1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)C1 2325827552 JNOWVBPTJPDDPY-DYESRHJHSA-N 382.464 0.979 0 50 GCAA Cn1ccc(=NC(=O)CN2CCC[C@]23CCCN(Cc2ccccn2)C3=O)[nH]1 2356168519 HHVMKLRWVXRJCS-FQEVSTJZSA-N 382.468 0.833 0 50 GCAA O=C(Cn1nnnc1CN1CCCC1)N1CCN(Cc2cccc(F)c2)CC1 11839811 HMHGPRBFAIDOFB-UHFFFAOYSA-N 387.463 0.752 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N1CCN(Cc2ccccc2)CC1 19222847 BVXXMNSYMKXMNX-UHFFFAOYSA-N 399.499 0.240 0 50 GCAA COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 65365170 XNQSACHDRGNQNC-UHFFFAOYSA-N 396.465 0.733 0 50 GCAA CNC(=O)c1noc(-c2nc3c([nH]2)C[C@@H](c2cccc(OC)c2)CNC3=O)n1 65508289 HWEJARFKILFZHO-SNVBAGLBSA-N 382.380 0.898 0 50 GCAA NC(=O)COc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1 91747031 ALGHSHULVIXLMV-IAGOWNOFSA-N 375.469 0.717 0 50 GCAA CCN(CCO)C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1CO 91769468 CFYDNWIIDYOMRJ-HZPDHXFCSA-N 377.485 0.248 0 50 GCAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NCC(=O)N2CCCC2)c1 95498415 JHTLKKSDXJKBPM-CQSZACIVSA-N 381.454 0.106 0 50 GCAA Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CC(=O)N(CC(F)(F)F)C3)n2)cc1 151686557 NQWFWZMBXQITSL-GFCCVEGCSA-N 382.346 0.928 0 50 GCAA CN1C(=O)c2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2C1=O 169772661 IFYHRSNWCAAOIK-OAHLLOKOSA-N 392.371 0.992 0 50 GCAA Cn1cc([C@H](NS(=O)(=O)c2cccc3c2OCCO3)C2CC(O)C2)cn1 219116000 HZDXVOFHCJSVDA-IJGSQOGDSA-N 379.438 0.982 0 50 GCAA Cn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)N2CCc3ccccc3C2)cn1 279148370 AEMKRCHPUSZXEC-SFHVURJKSA-N 388.493 0.777 0 50 GCAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1cc3c(cc1Cl)OCCO3)C2 328624473 JYOKRHKSROCRQR-UHFFFAOYSA-N 397.840 0.952 0 50 GCAA Cn1cc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c(=O)n(C)c1=O 363557806 LTRLQFJPPZJMKD-HNNXBMFYSA-N 384.436 0.504 0 50 GCAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 408516343 LCGJFSVZTKRXDA-YXTCSXCUSA-N 376.453 0.716 0 50 GCAA CN1C(=O)COc2cc(NC(=O)NCCN3CCC[C@@H](C(N)=O)C3)ccc21 534590889 UFUYEQCVGIGVAX-GFCCVEGCSA-N 375.429 0.361 0 50 GCAA Cc1cc(C[C@H]2CN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C[C@@H]2O)on1 1616079927 JYOIGEBXOGDFLN-YJBOKZPZSA-N 382.424 0.872 0 50 GCAA Cc1nc(CN2C[C@@H]3COC[C@]3(C(=O)NCCNc3ncccc3C)C2)n[nH]1 1857688038 QIAYVLPPPRUSKX-DNVCBOLYSA-N 385.472 0.493 0 50 GCAA CS(=O)(=O)N1CCOC[C@@H](CN2CCC(c3nnc4ccccn34)CC2)C1 1857723109 TUZJJXXLLLKVOF-HNNXBMFYSA-N 393.513 0.817 0 50 GCAA CC[C@H]1[C@@H](C(=O)NCCn2cccn2)C[C@H]2CN(C(=O)c3cc[nH]c3)CC(=O)N21 1857733835 ASTGKNCFIKTQBA-ULQDDVLXSA-N 398.467 0.479 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)C1 1875371532 DXCZKIYXSMZCOW-NSHDSACASA-N 398.510 0.824 0 50 GCAA C=CC(=O)NC[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@H]1OCC 1875383417 SYEQQYRGUAIEFF-HUUCEWRRSA-N 376.461 0.498 0 50 GCAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1ccc2c(c1)oc(=O)n2C 1875397494 BXJABMDUYSXJNB-WMLDXEAASA-N 398.467 0.981 0 50 GCAA COc1ccc2c(c1)C1(CC1)CN(C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(C)=O)C2 2332238012 VAZXPJYMVQFMME-NVXWUHKLSA-N 392.477 0.618 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)NCC3CCCCC3)nn2)CN1 67974794 XPEKTMGUFQGHNK-CVEARBPZSA-N 377.493 0.649 0 50 GCAA COCCN1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 77339405 OKDTZSRZFFOFCL-KRWDZBQOSA-N 375.469 0.948 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCCO1)CC2 95521552 KMHVTZMNXUVLEX-HNNXBMFYSA-N 376.457 0.828 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CC[C@H](CC(=O)O)C2)nc1N1CCOCC1 96161968 MZSAXBHISPRTQG-GFCCVEGCSA-N 378.429 0.976 0 50 GCAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@@H](O)C3)c2)n(C)n1 102546110 IJPIJIMVMARELN-OAHLLOKOSA-N 378.454 0.414 0 50 GCAA Cc1ccc(-c2nnn(CC(=O)N[C@H]3CC(=O)N(CC(F)(F)F)C3)n2)cc1 151686647 NQWFWZMBXQITSL-LBPRGKRZSA-N 382.346 0.928 0 50 GCAA Cc1ccc(N2C[C@H](O)Cn3c2nc2c3c(=O)n(CCC(=O)O)c(=O)n2C)cc1 195792562 MXGZEVXHIXTWNZ-ZDUSSCGKSA-N 399.407 0.192 0 50 GCAA Cc1ccn(C[C@@](C)(O)C(=O)Nc2nc(C)c(SCC(N)=O)s2)c(=O)c1 225730660 OXDUVJAGMALPSZ-MRXNPFEDSA-N 396.494 0.889 0 50 GCAA Cc1cccc(N2CCN(CCNC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)CC2)c1C 886091746 PUGXNZJODRFCEN-CALCHBBNSA-N 399.495 0.339 0 50 GCAA C[C@]1(NC(=O)Cn2cnc3ccccc3c2=O)CC2(CCNCC2)OC[C@@H]1O 1704337275 QDGCTTRNOOKISS-LPHOPBHVSA-N 386.452 0.175 0 50 GCAA CNC(=O)c1cc2n(n1)CC1(CCN(CC(=O)N3CCC[C@H](C)C3)CC1)OC2 1775961630 OHWINANTEDGYIN-HNNXBMFYSA-N 389.500 0.866 0 50 GCAA Cc1csc(S(=O)(=O)N2CCCN(C(=O)CN3CCOC3=O)CC2)c1 1775983660 QNXOXLCKAWRIEK-UHFFFAOYSA-N 387.483 0.732 0 50 GCAA COc1nc2c(cc1C(=O)N1CCO[C@@]3(CCN(S(C)(=O)=O)C3)C1)CCC2 1857690523 LVPUQAPXSQVPLC-SFHVURJKSA-N 395.481 0.455 0 50 GCAA Cc1nc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)Cn3ncc4ccccc43)C2)no1 1875248697 IEDJJJRVIWAFBU-DZKIICNBSA-N 398.423 0.300 0 50 GCAA O=C(NCCc1nsc2ccccc12)C(=O)NCCN1CCCS1(=O)=O 2325820485 ZRXPSAOAELLVCU-UHFFFAOYSA-N 396.494 0.107 0 50 GCAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCC(O)(CO)CC1 2356141183 XKOFNUHHDANUNM-NVAPDCRFSA-N 385.464 0.664 0 50 GCAA COc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)cc1 2585096 YPFVACQLVNMMCL-UHFFFAOYSA-N 379.398 0.109 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 11996564 UASUVKWEXXVNLY-KGLIPLIRSA-N 386.495 0.391 0 50 GCAA Cn1cc(NC(=O)CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 71404200 QCDXJJATAOAHHY-HNNXBMFYSA-N 388.516 0.814 0 50 GCAA CC(=O)N1CCN(C(=O)C2(c3ccc(C)cc3)CC2)[C@H]2CS(=O)(=O)C[C@H]21 72457076 QFVKPUKIXFARIH-SJORKVTESA-N 376.478 0.883 0 50 GCAA CCn1ccnc1CN1CCN(C(=O)c2ccco2)[C@H]2CS(=O)(=O)C[C@H]21 82108791 QHNIQZXZXKBNLI-KGLIPLIRSA-N 378.454 0.620 0 50 GCAA Cc1cn2c(=O)cc(CN3CC[C@]4(CCCN(CCO)C4=O)C3)nc2s1 91997122 RUUNIIJVGZDRDG-GOSISDBHSA-N 376.482 0.871 0 50 GCAA CN(CCc1ncon1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1 95390233 YGLBQYCFOQOIQG-ZDUSSCGKSA-N 380.426 0.452 0 50 GCAA Cc1noc(C)c1CN(C)C(=O)CCCn1nnnc1CN1CCOCC1 95503282 IIWNFWLEUWEFOI-UHFFFAOYSA-N 377.449 0.549 0 50 GCAA CC(C)[C@@H]1CN(CC(=O)N2CCc3ccccc32)C[C@H]1NS(=O)(=O)N(C)C 95516900 RYVWLMJXRYYKDP-DLBZAZTESA-N 394.541 0.928 0 50 GCAA O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1)c1ccccc1Cl 95530330 BFXCEHFNPAVBIN-LLVKDONJSA-N 390.827 0.999 0 50 GCAA CN1CCN(S(=O)(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 244796054 RRYUZLSLKBMJNU-JZXOWHBKSA-N 381.498 0.515 0 50 GCAA Cn1c(O)nc(=O)c2nc(CCC(=O)Nc3cccc(C(=O)O)c3)c(O)nc21 253630368 YCIANZPFKPOCAC-UHFFFAOYSA-N 385.336 0.404 0 50 GCAA NC(=O)c1cccnc1N1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1 1529139758 RPVKDRWASZDCOC-UHFFFAOYSA-N 387.419 0.273 0 50 GCAA CN1CCC(O)(C(=O)N2CCCN(C(=O)CN3CCCCCC3)CC2)CC1 1529181666 UIMFWUNLTIAREB-UHFFFAOYSA-N 380.533 0.380 0 50 GCAA O=C(CCCn1cncn1)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 1772703093 GUXGPPPVFMONFB-MRXNPFEDSA-N 383.518 0.417 0 50 GCAA O=C(O)CCN1C[C@@H]2[C@H](CNC(=O)CN3CCCCCC3)[C@H]3CC[C@]2(C1)O3 1857731988 WUTGFDUFWONZJC-TVKQPGBESA-N 379.501 0.933 0 50 GCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3ccnc(N(C)C)[nH]3)C2)c1C 1875301286 IYAXXOGNFNKZGG-CQSZACIVSA-N 384.488 0.764 0 50 GCAA C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccnc3ccnn23)C[C@@H](C)O1 1875353130 KLFAXVIOEUGGFL-VXGBXAGGSA-N 382.446 0.290 0 50 GCAA C[C@@H]1OC2(CCN(C(=O)NC[C@@]3(c4cnn(C)c4)CCCO3)CC2)NC1=O 1875392203 ZXHQNOZVZZMDDO-SUMWQHHRSA-N 377.445 0.462 0 50 GCAA CS(=O)(=O)NCc1ccnc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 2100555962 AJADRYYNRZCTCF-AWEZNQCLSA-N 394.497 0.538 0 50 GCAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 13645048 JYFXLWOLIVCHAB-UHFFFAOYSA-N 384.318 0.890 0 50 GCAA Cn1cnnc1Sc1ccc(CN2CCN(c3cnn(C)c(=O)c3)CC2)o1 19731762 NVBHVRHSNRBRSZ-UHFFFAOYSA-N 387.469 0.975 0 50 GCAA O=C(CCO)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72168014 VQXKMRKSKJOAAZ-KRWDZBQOSA-N 375.469 0.906 0 50 GCAA CC(=O)OC[C@H]1O[C@@H](N)[C@H](OC(C)=O)[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O 201019604 URFWVSFOARODAQ-UJWQCDCRSA-N 395.408 0.682 0 50 GCAA CC(C)CC(=O)N1CCN(C(=O)CCn2cccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 212939523 RYEFLJBFWSNGCE-CABCVRRESA-N 382.486 0.156 0 50 GCAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 216060722 XWCWONJXQKMNLH-ZDUSSCGKSA-N 376.438 0.721 0 50 GCAA C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@@H](CNS(N)(=O)=O)C1 229795317 MBHCTBVTJBAMMX-QWRGUYRKSA-N 376.429 0.797 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O 328615188 YARPTIXYXFADAS-IHRRRGAJSA-N 385.490 0.342 0 50 GCAA COCCc1noc([C@@H]2CCCN(C(=O)NCc3nc(COC)no3)C2)n1 534592030 YXRYFAMJOSRZRC-LLVKDONJSA-N 380.405 0.877 0 50 GCAA O=C1NCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)[C@H]1CCO 584891571 BRUWFBJNKYASIF-KRWDZBQOSA-N 378.448 0.683 0 50 GCAA Cc1nnc(SCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)s1 1529168795 LYCFIRZZVIGZQY-OLZOCXBDSA-N 379.467 0.706 0 50 GCAA Nc1nc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)c2ccccc2F)cs1 1772805529 NZASEBDNDXJWDK-NWDGAFQWSA-N 398.441 0.190 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)NC3CCN(CCO)CC3)CC2=O)s1 1857713943 YJBYKRIJZCYKKU-GFCCVEGCSA-N 381.502 0.416 0 50 GCAA CCOCC(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857721513 SRLMOLVITFTCDB-HKUYNNGSSA-N 379.505 0.363 0 50 GCAA COCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)CC[C@@H]1c1ccc(OC)cc1 1875362102 REBDFWXXKUNRFE-QZTJIDSGSA-N 375.469 0.848 0 50 GCAA Cc1cnn(CCCNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)c1 67743861 ODEPDBWVNIRAJN-UHFFFAOYSA-N 384.483 0.966 0 50 GCAA CCn1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cn1 71552282 AOHVQAHOBNPCMN-MRXNPFEDSA-N 391.516 0.982 0 50 GCAA COc1ccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(F)c1 77353555 KEUOARYVSMDQHA-JKSUJKDBSA-N 385.461 0.799 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CN1Cc1cccc(OC)c1 92020385 SGQQBONTUSWYJS-WBVHZDCISA-N 375.469 0.927 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2)CN1C(=O)COC 96161260 ZUOIUNHSDJGIOC-HOCLYGCPSA-N 377.441 0.606 0 50 GCAA COC(=O)CN1CCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 170601736 XPSVRXJHEFIYTR-GOSISDBHSA-N 379.432 0.516 0 50 GCAA CC(C)(C)OC(=O)NC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C1CCCC1 170614963 GRFXQAAOVPWPGJ-ZDUSSCGKSA-N 380.445 0.736 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C(C)(C)NC(=O)c2cccs2)C1 243893526 ARPBIUHLPPEWQD-XYPYZODXSA-N 377.470 0.940 0 50 GCAA COc1ccc(C(=O)N2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)cc1 264347043 XZUHSQSQCCZWJQ-KRWDZBQOSA-N 376.457 0.493 0 50 GCAA C[C@@H]1CCCC[C@@H]1OCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1 328603983 HZJUMSCGKIGRGI-NJAFHUGGSA-N 378.517 0.843 0 50 GCAA Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)c(O)n1 1073398732 QXTNFYBORHAFHI-KGLIPLIRSA-N 382.486 0.747 0 50 GCAA Cc1nc(N)nc(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565531078 FBUOILSHYSJHRI-CABCVRRESA-N 395.467 0.771 0 50 GCAA COc1cc(N2CCCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)[nH]c(=N)n1 1857685588 YTOFTBMRLPUJHX-UHFFFAOYSA-N 395.427 0.226 0 50 GCAA O=C(CN1CCOC2(CCN(C3CCCC3)CC2)CC1=O)N1CCOCC1 1857686708 CYXKNSNFWOGORA-UHFFFAOYSA-N 379.501 0.871 0 50 GCAA CO[C@H]1C[C@@H](C(=O)N2CCSCC2)CC[C@@H]1NS(=O)(=O)c1cn[nH]c1 1857704243 KDWIXFFKYNKURU-UBHSHLNASA-N 388.515 0.447 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1O 1857722583 ZAMLGAZWDXYMFD-SMDDNHRTSA-N 380.422 0.117 0 50 GCAA Cc1ccnc(N2CC3(CN(C)C[C@H]3c3ccnc(N4CCOCC4)n3)C2)n1 1875393358 LLBILIQPXVXZNT-INIZCTEOSA-N 381.484 0.947 0 50 GCAA CN1C[C@@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)C(C)(C)CN1CCOCC1)C2 1875394169 ZZLUEALGJWRDEM-HNNXBMFYSA-N 388.516 0.105 0 50 GCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 2356141890 URNNVXOPAGBVTC-KGLIPLIRSA-N 391.493 0.487 0 50 GCAA NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 4745087 GZQLRDLXLJDMJK-UHFFFAOYSA-N 384.435 0.584 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 35360204 XHRGGOZGHVVCQG-UHFFFAOYSA-N 397.316 0.789 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)Nc3ccc(Cl)cc3)nn2)CN1 67964829 GZMDTTWSCAIEAH-KBPBESRZSA-N 377.836 0.902 0 50 GCAA O=C(NCC[C@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCNCC2)c1 216283187 YGOFBIKZGSUEBN-MRXNPFEDSA-N 381.498 0.970 0 50 GCAA COCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 229894600 BUONQAWZMCXZSY-ZHAWKTGCSA-N 393.827 0.088 0 50 GCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)COc1ccc3c(c1)OCO3)C2 247562710 ZHPJYCCUCFXJOV-OLZOCXBDSA-N 382.438 0.677 0 50 GCAA CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)C1 273664826 IRIJZKZZULRTHX-SNVBAGLBSA-N 390.845 0.950 0 50 GCAA Cc1noc2ncc(S(=O)(=O)N[C@@H]3CCCN(c4ccnn4C)C3=O)cc12 328610971 JVPVPUKLUWIADK-CYBMUJFWSA-N 390.425 0.739 0 50 GCAA CCOC(=O)CN(C)c1ncc(CN2CCN3C(=O)OC[C@@]3(CC)C2)cn1 1857674930 DHAWJWCMRGNUEQ-GOSISDBHSA-N 377.445 0.893 0 50 GCAA CCCCc1nc(C)cc(=NCCNC(=O)c2cc3n(n2)CCN(C)C3=O)[nH]1 1857676322 QSFPNKQCVPYWHL-UHFFFAOYSA-N 385.472 0.674 0 50 GCAA O=C(N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1)C1(N2CCOCC2)CCCCC1 1857687751 CRVTVMYZMHHLKB-VQIMIIECSA-N 379.501 0.511 0 50 GCAA Cc1nc2ccccc2n1CC(=O)N[C@@H]1CN(c2n[nH]c(=N)s2)CC[C@@H]1O 1857713523 ZLZRITVSVZTJOS-OCCSQVGLSA-N 387.469 0.365 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CCn3nc(C)cc3C)CC(=O)N21 1857713980 GEWQDXYGEDYGST-JYJNAYRXSA-N 376.457 0.901 0 50 GCAA O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857715839 KTKNUTIPGWHGTG-QAPCUYQASA-N 378.450 0.800 0 50 GCAA Cc1nc(O)nc(O)c1S(=O)(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 1875347102 RCMCUAXNTGJOCC-WOPDTQHZSA-N 397.457 0.868 0 50 GCAA COCCn1cc(C(=O)NC[C@@H]2C[C@H](OC)CN2c2cc(C)ncn2)nn1 1875393736 RESGBCGTYXYYCA-KBPBESRZSA-N 375.433 0.047 0 50 GCAA COC(=O)[C@@H](CCSC)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 4763471 GIJANGFGGZUVMG-ZIAGYGMSSA-N 384.454 0.685 0 50 GCAA O=C(NCCOc1ccccc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 19836693 STTNLTZUEQDSJW-KRWDZBQOSA-N 375.469 0.752 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 53507627 ILQVMUCMCCEBJE-GFCCVEGCSA-N 378.454 0.863 0 50 GCAA Cc1cc(NC(=O)CN2CCC[C@](O)(CNC(=O)N3CCCC3)CC2)no1 72137368 XNJWFQKFIVIDQL-GOSISDBHSA-N 379.461 0.944 0 50 GCAA CCc1n[nH]c2c1CN(C(=O)CCCn1nnnc1CN1CCOCC1)CC2 95521988 USSMIDAGXVFWSV-UHFFFAOYSA-N 388.476 0.156 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)N2CCCC2)c2ccccn12 244305492 XAHDZROOIJSTSV-GFCCVEGCSA-N 376.438 0.487 0 50 GCAA CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)C1CCN(c2cnccn2)CC1 262152555 JPSHOQIFIZCTHS-HNNXBMFYSA-N 389.456 0.475 0 50 GCAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1n[nH]c2c1COCC2 828211462 GKXVEIRREMCRRV-YOMPXFNTSA-N 393.491 0.780 0 50 GCAA C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncnc2c1ncn2CC1(CO)COC1 888097629 LLCDMCONOAHFMD-VXGBXAGGSA-N 383.474 0.093 0 50 GCAA COc1ccc([C@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@@H]2NC(C)=O)cc1 1565530371 QUCDVLQGLZTYDM-SJORKVTESA-N 380.408 0.877 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1F 1704301109 KCKWUUVGSOSHRT-SMDDNHRTSA-N 380.463 0.319 0 50 GCAA OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 1857524379 HSTZMXCBWJGKHG-UNKMBQTNSA-N 390.388 0.447 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NCc3cnn(C)c3)C2)no1 1857692159 QWFNMLWOEJKSFY-HNAYVOBHSA-N 386.456 0.760 0 50 GCAA CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccccn2)CC1 4342519 ZZRWCLRMRIFVSD-UHFFFAOYSA-N 399.415 0.126 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCCN1CCOC1=O 20776324 OMLBHSFABDGUDT-KRWDZBQOSA-N 388.468 0.378 0 50 GCAA Nc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1 91997966 KUMTYIYJRCFNEX-CYBMUJFWSA-N 375.473 0.972 0 50 GCAA CCc1noc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC3)c2)n1 95352713 VMYOCEMDCUIUNN-LBPRGKRZSA-N 380.426 0.629 0 50 GCAA Cc1ncsc1C(=O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 211332052 JLQHZCCKLFLKPL-KGLIPLIRSA-N 380.470 0.819 0 50 GCAA O=C1CN(C(=O)[C@H]2CC[C@H](Cn3c(O)nc4ccccc4c3=O)CC2)CCN1 245255052 FBFBKBGLPBMSAZ-HDJSIYSDSA-N 384.436 0.867 0 50 GCAA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 328646168 ZZLOTASYMQKPKO-DZGCQCFKSA-N 381.458 0.539 0 50 GCAA CC1(C)CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C[C@]2(CCCOC2)O1 373603549 JTWYBTIOOUQFLA-SFHVURJKSA-N 395.481 0.671 0 50 GCAA O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)N1CCO[C@H]2CCOC[C@@H]21 816936688 PACPLLMIADXLHE-ZFWWWQNUSA-N 375.356 0.504 0 50 GCAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C 888102594 IXBLMOMMWVERJY-SWLSCSKDSA-N 381.502 0.806 0 50 GCAA COCCn1cnnc1CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 952991268 WJVWGFMATYAXGA-UHFFFAOYSA-N 381.414 0.190 0 50 GCAA CS(=O)(=O)NCCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704356226 DUBVOAGXUANRKT-PBHICJAKSA-N 377.466 0.536 0 50 GCAA O=C(Cc1ccsc1)N1C[C@H]2CN(C(=O)c3ncccc3O)C[C@]2(CO)C1 1772704893 UHWYUOOAGPGMQX-LIRRHRJNSA-N 387.461 0.984 0 50 GCAA COCC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@]2(CO)C1 1772805297 JMVRSUKQCBZJDS-BLLLJJGKSA-N 388.873 0.428 0 50 GCAA O=C(N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCNC1=O)c1ccnc(O)c1 2325852152 UUGGTIPWGFPGIK-ZMSDIMECSA-N 380.404 0.435 0 50 GCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356138107 HQVZSYNHLCHMQC-IBGZPJMESA-N 385.424 0.117 0 50 GCAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nnn[nH]3)cc2)CC1 95501422 FUQLDZTZJIJPCO-GFCCVEGCSA-N 388.428 0.707 0 50 GCAA O=C(c1cnc2ccccn12)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 95506814 RDMSNFGUOVSVSK-LSDHHAIUSA-N 398.448 0.252 0 50 GCAA O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)c2cnccn2)CC1 95530959 SUDCILZVJVAXQM-UHFFFAOYSA-N 378.396 0.943 0 50 GCAA CN(C)c1cc2c(cc1NC(=O)N1CCO[C@@H](CCN)C1)n(C)c(=O)n2C 96130679 VOVPPOCEQDRLSP-LBPRGKRZSA-N 376.461 0.525 0 50 GCAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN2CCCC[C@@H]2C1 195070471 CZTIQQKJHMWJPB-MRXNPFEDSA-N 389.500 0.544 0 50 GCAA CCCn1c(CO)nnc1S(=O)(=O)CC(=O)NCc1ccc(C)c(F)c1 225685256 LRXXBMQSOHJWPC-UHFFFAOYSA-N 384.433 0.718 0 50 GCAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC[C@H](C)[C@H]1CN 237617850 ZQLXCTGDGOLOMY-XJKSGUPXSA-N 377.489 0.433 0 50 GCAA C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)C1=O 298293895 IDWSCTNUAIKYBD-YWZLYKJASA-N 384.436 0.723 0 50 GCAA COCCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)N[C@H](C)C3)cc2S1(=O)=O 299738643 DLIHZGOBUZBTOV-VXGBXAGGSA-N 381.454 0.300 0 50 GCAA C[C@@H](C(=O)N1CCCN(C(=O)CCCc2cn[nH]c2)CC1)N1CCCC1=O 1529189913 BPVALKXIJXUTHN-HNNXBMFYSA-N 375.473 0.804 0 50 GCAA COc1ccc2[nH]c(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3NS(C)(=O)=O)cc2c1 1565530200 ZDNWONAXKDPPAJ-MWNCTCPHSA-N 379.438 0.611 0 50 GCAA COc1cc(C)ccc1S(=O)(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704298322 IWRMBKRHPYTYPJ-QWHCGFSZSA-N 392.499 0.188 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)N3CCOCC3)n2)cc1OC 1857695940 FRUWKUVXMAKSPF-CYBMUJFWSA-N 389.456 0.765 0 50 GCAA Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCC[C@@H]4CO)cn3CC2)cc(O)n1 1875250105 XXMWAQGONCKPOX-OAHLLOKOSA-N 399.451 0.588 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2ccccc2-n2cncn2)ncn1 1875397919 TYOKJRHBAAGOBX-IAGOWNOFSA-N 394.483 0.853 0 50 GCAA CC(=O)NCCCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325897363 VDXDNGVNKMZSQB-AWEZNQCLSA-N 386.408 0.416 0 50 GCAA Cc1cc(C)n(CC(=O)NCc2cc(CNC(=O)c3c[nH]c(=O)cn3)ccn2)n1 2356151045 ODBJLPRZGHETAD-UHFFFAOYSA-N 395.423 0.225 0 50 GCAA O=C1C[C@@H](C(=O)N2CCc3nc(C4CC4)nn3CC2)CN1Cc1cccnc1 2356165100 SZBOGKZLYXZZKB-MRXNPFEDSA-N 380.452 0.984 0 50 GCAA COc1ccccc1CCNC(=O)CN1CCC[C@@]12CCCN(CCO)C2=O 2356167410 OJBKDEBWCNOIPS-OAQYLSRUSA-N 389.496 0.803 0 50 GCAA O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 24606363 DLZXSOORCDVMHE-UHFFFAOYSA-N 387.527 0.597 0 50 GCAA COCCN1CCC[C@@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1=O 92099351 VJZBHUJPTNMMPP-IBGZPJMESA-N 376.457 0.348 0 50 GCAA COC(=O)[C@@]1(CO)N[C@@H](c2ccoc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 210015414 KUKWUMQBIMZNBH-ULMVMLMRSA-N 384.388 0.629 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)NCCCc1nnc2ccccn12 299775183 IPBXSMHWVVXBOE-UHFFFAOYSA-N 380.456 0.390 0 50 GCAA CS(=O)(=O)C1(CNC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)CCCC1 333458204 YRKIFVKCKMEWFS-CQSZACIVSA-N 392.543 0.953 0 50 GCAA Cn1nc(Br)c2c(=O)n(CC(=O)N3CCO[C@H](C4CC4)C3)cnc21 373600310 YAQOQRAWAXTCQF-JTQLQIEISA-N 396.245 0.530 0 50 GCAA CN(Cc1nc(-c2ccccn2)no1)C(=O)NCCSc1nnnn1C 426724074 ZIMQWTVOAUXNKA-UHFFFAOYSA-N 375.418 0.589 0 50 GCAA O=C(C(=O)N1CC[C@@H]([C@H]2CCOC2)C1)N1CCN(C(=O)N2CCCC2)CC1 1328285167 BSRYZWYQGJUGNJ-CVEARBPZSA-N 378.473 0.231 0 50 GCAA Cc1nc2cc(C(=O)N[C@H]3CCN(CC(=O)N(C)C)C[C@@H]3O)ccc2s1 1565525963 VIUZKHOGXYAITC-ZFWWWQNUSA-N 376.482 0.858 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C3Cc4ccccc4C3)C[C@@H]12)c1cnccn1 1857681236 DUUSGOVRWXFFES-UHOSZYNNSA-N 398.488 0.471 0 50 GCAA O=C(NCCNS(=O)(=O)CC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 1857687053 JICIHQZPTYGXAA-GFCCVEGCSA-N 392.474 0.300 0 50 GCAA COc1c(F)cccc1CN1C[C@H]2[C@H](NC(=O)C3CC3)CS(=O)(=O)[C@H]2C1 1857705596 NQEASBXVNFBAEJ-IMJJTQAJSA-N 382.457 0.958 0 50 GCAA Cc1cc2[nH]cc(C(=O)N3C[C@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)c(=O)n2n1 1857710306 PXTREIVLQIHMBN-VWFIUDSGSA-N 394.431 0.540 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)NCCSc3n[nH]c(C)n3)CC2=O)s1 1857712570 QWXXTANTVUNHIW-VIFPVBQESA-N 381.487 0.788 0 50 GCAA COC(=O)C[C@@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)C(=O)OC 2356137281 IWXXUBOQIKRVRV-GFCCVEGCSA-N 396.465 0.734 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3166164 RCJBIZWBMDWICZ-AWEZNQCLSA-N 386.495 0.778 0 50 GCAA COc1cccc(CN2CCNC(=O)CC2)c1OC[C@@H](O)CN1CCOCC1 39438282 VLEULTJUXMCVQF-KRWDZBQOSA-N 393.484 0.089 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ccno1)CO2 71745190 UBQZZSDSFYBEOS-AWEZNQCLSA-N 388.424 0.955 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncnc4[nH]cnc34)CC2)C1 71751654 OBCLEKHFLRQQEA-CQSZACIVSA-N 387.488 0.796 0 50 GCAA O=C([C@H]1CC2(CCNCC2)CN1)N(CCN1CCOCC1)Cc1ccco1 72129444 IDCMZXKUVXTGLX-GOSISDBHSA-N 376.501 0.672 0 50 GCAA Nc1cc(O)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n1 72149530 NDNBLXSXCSQNNO-CQSZACIVSA-N 390.488 0.194 0 50 GCAA O=C1CN(CC(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)C(=O)N1 91755363 PYZQKXLTNWSJKT-IBGZPJMESA-N 376.457 0.712 0 50 GCAA CN(C)[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cnn(C)c1 117844873 GOXKZMMPVXIUCU-QGZVFWFLSA-N 391.497 0.993 0 50 GCAA CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@H](C)C[C@H]3C(N)=O)cnc21 170601361 FPMSMOOVNLWPNB-FZMZJTMJSA-N 387.440 0.611 0 50 GCAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)cn1 189219814 FTRMSEHKQCQREM-HNNXBMFYSA-N 377.426 0.835 0 50 GCAA CN(C)S(=O)(=O)c1cn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cn1 225654315 PTSFPUFCSVNMMI-UHFFFAOYSA-N 391.453 0.664 0 50 GCAA CC(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)O 261676046 KYFGVHIQMQNXRN-CQSZACIVSA-N 390.483 0.905 0 50 GCAA COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1cc(OC)cc(OC)c1 271166424 SGBACGLWCQFVDE-HNNXBMFYSA-N 390.396 0.057 0 50 GCAA CCCc1nc(CN([C@@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)no1 328609669 FMWHIILXDZGIFN-GFCCVEGCSA-N 396.473 0.713 0 50 GCAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(c2nc[nH]n2)CC1 426414660 OLHDOYMSEWPHFV-QGZVFWFLSA-N 382.468 0.901 0 50 GCAA COc1ccc(CNC(=O)CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1OC 1704298726 CRYFTPZZCZDWPQ-WBVHZDCISA-N 388.468 0.887 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(-c2cccs2)nn1C 1704342143 ISEISGAQEUTROB-WCQYABFASA-N 398.510 0.785 0 50 GCAA O=C(N[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)c1ccoc1 1857687340 SMIUCHDYNQACOV-KKUMJFAQSA-N 375.406 0.342 0 50 GCAA CN(CCc1ccccn1)C(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c2cncc(=O)[nH]2)C1 1857703463 QLMBSFQEZPSIGY-YSVLISHTSA-N 399.451 0.125 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)c2nc(=N)[nH]c3c2CCCC3)CC[C@H]1O 1857714530 CMVXNNPMMQRPRH-BEFAXECRSA-N 378.473 0.380 0 50 GCAA COCCn1cnnc1CCNC(=O)c1sc(N2CCOCC2)nc1C 1857721300 IXKBWVIXPOFHHX-UHFFFAOYSA-N 380.474 0.499 0 50 GCAA CCC[C@@]1(CO)CN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)CC[C@H]1O 1875250591 OTRZFTQGFUTLMA-WBVHZDCISA-N 386.470 0.328 0 50 GCAA CC(=O)OCC(=O)N1CCn2ncc([S@](C)(=O)=NC(=O)[C@@H]3CC3(C)C)c2C1 2325785273 NFPWUAQWJWDCHX-JWNZJDHWSA-N 396.469 0.818 0 50 GCAA CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 3953037 HCRKCZRJWPKOAR-JTQLQIEISA-N 383.517 0.087 0 50 GCAA biogenic,fda O=C(CNS(=O)(=O)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 4520677 VQOHPDAORVOWFM-UHFFFAOYSA-N 377.422 0.543 0 50 GCAA CC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCC[C@H](O)C2)CC1 12752385 PZTSSXDJEACXJZ-KRWDZBQOSA-N 393.536 0.258 0 50 GCAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCN(C(=O)c2ccco2)CC1 12759191 UNQDYSFSCYCOEX-UHFFFAOYSA-N 386.456 0.955 0 50 GCAA CCC(=O)Nc1ccc2c(c1)nc(CN1CCN(S(C)(=O)=O)CC1)n2C 20706387 YZKHEGPPQWEJDE-UHFFFAOYSA-N 379.486 0.999 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C)(C)CO)cc1OC 72159215 RPMACGZURIOYQR-CQSZACIVSA-N 379.457 0.281 0 50 GCAA O=C(C[C@H]1COCCN1C(=O)Cn1cnc2ccsc2c1=O)NC1CC1 72433075 DEBICELZKMIQPG-LBPRGKRZSA-N 376.438 0.354 0 50 GCAA CN(Cc1cnccn1)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 91746107 ITRSLJMKKMCCOA-INIZCTEOSA-N 375.473 0.396 0 50 GCAA Cc1ccc(C(=O)N2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O 91997948 WJJXMORGRICXCR-KGLIPLIRSA-N 382.438 0.099 0 50 GCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]16CCS(=O)CC[C@]56[C@@H]2[C@@H]43 247337916 RJOVTMHCDKITPS-PECIIRLOSA-N 381.457 0.931 0 50 GCAA COc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1O 268882718 FHZJYZUIRFICBL-HNNXBMFYSA-N 376.457 0.849 0 50 GCAA COCCn1cc(C[C@H]2N=C(O)N(CC(=O)N3[C@@H](C)CCC[C@H]3C)C2=O)nn1 328614646 WNPLAGHASIVULT-VNHYZAJKSA-N 392.460 0.381 0 50 GCAA O=C(Cn1cnc2sccc2c1=O)NC1CCN(S(=O)(=O)C2CC2)CC1 333130932 DSGLANAVEIMYHD-UHFFFAOYSA-N 396.494 0.531 0 50 GCAA O=C(CN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1)NC1CC1 363213361 RQBKKJJQBIBJEY-LJQANCHMSA-N 398.507 0.643 0 50 GCAA COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4nncn4C)CC3)CC2=O)c1 888093929 JSYIGVPHKUJQIM-AWEZNQCLSA-N 399.455 0.461 0 50 GCAA O=C1Cc2cccc(c2)OCCn2cc(nn2)CCC(=O)N2CC[C@@H](CN1)C2 1704322056 FYLFRYYYQPIZHI-INIZCTEOSA-N 383.452 0.811 0 50 GCAA Cc1ccsc1C(=O)N1C[C@H]2CN(C(=O)CN3CCOC3=O)C[C@@]2(CO)C1 1772701105 JHLDPXMIIFMYJV-ACJLOTCBSA-N 393.465 0.402 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)N3CC[C@H](N)C3)n2)cc1OC 1857696133 OFDOYYBCALVSSK-OCCSQVGLSA-N 388.472 0.465 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCn2cnnn2)cn1 1857719567 PTZOYGIUKKUDCV-WMZOPIPTSA-N 388.476 0.251 0 50 GCAA CO[C@@]1(CNC(=O)N2CCN(c3ccncc3C)CC2)CCCS(=O)(=O)C1 1875324912 NUIYYNJXJOJUSI-GOSISDBHSA-N 396.513 0.815 0 50 GCAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 1875386400 PHPQEOLJENMDFF-GOSISDBHSA-N 385.464 0.706 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NC[C@@H]4CCCCNC4)cccc3C2=O)C(=O)N1 2325896234 UVJZOPDEPSJVRI-CXAGYDPISA-N 398.463 0.567 0 50 GCAA CCc1nc(=N[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N2CC[C@H](CC3CC3)C2)s[nH]1 2332237728 JHXDTSQUWACATN-MGPQQGTHSA-N 398.554 0.996 0 50 GCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc2c(s1)CCOC21CCNCC1 2356143672 RUYGWIIGFYGDQZ-ZENOOKHLSA-N 382.482 0.140 0 50 GCAA CN1C(=O)[C@H](CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N(C)C1=O 2356152331 ZATARWLGTADVCE-HNNXBMFYSA-N 396.451 0.536 0 50 GCAA CCN1CCO[C@H](CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 4702831 FEZRAXBMCLKMBC-CQSZACIVSA-N 378.381 0.836 0 50 GCAA Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H]([C@H](C)O)C(=O)N2C1 14754274 DFNORSBIVCLEFN-DTCNJJKHSA-N 380.832 0.619 0 50 GCAA COCCNC(=O)c1cn(C2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 14990973 UHSXMYUTSHRWRW-UHFFFAOYSA-N 393.469 0.680 0 50 GCAA NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 19597003 XPXGSNCOGQREDT-OAHLLOKOSA-N 377.397 0.895 0 50 GCAA CCc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1 20819994 HYRNJSJTCLFTCX-UHFFFAOYSA-N 396.557 0.769 0 50 GCAA COc1cccc([C@@H]2CCCN2C(=O)Cn2nnnc2CN2CCOCC2)c1 23379609 AWBFQTLFAIVHLA-KRWDZBQOSA-N 386.456 0.878 0 50 GCAA O=C(O)CCN1CCN(Cc2ccc(C(=O)O)cc2)[C@H]2CS(=O)(=O)C[C@H]21 91381308 IVJOYJDPIPOYAL-CABCVRRESA-N 382.438 0.143 0 50 GCAA O=C(NC1CCC1)c1cccc(S(=O)(=O)N2CC(N3CCOCC3)C2)c1 95375156 OFEKRICUNXPSGE-UHFFFAOYSA-N 379.482 0.674 0 50 GCAA O=C1CCC2(CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)CN1CCc1ccccn1 95500351 BDJNYRXDFSOPBR-ZWKOTPCHSA-N 386.496 0.578 0 50 GCAA Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)o1 97729622 XHIIKWHWNKCUGH-GFCCVEGCSA-N 380.426 0.623 0 50 GCAA Cn1c(=O)c2cc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)ccc2n(C)c1=O 105823395 JUQDYHAWPQOVFF-RWMBFGLXSA-N 377.466 0.952 0 50 GCAA CCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 241588502 PDSKBUAUOWCIII-JSRQGNBESA-N 389.401 0.069 0 50 GCAA O=C(O)c1ccc(S(=O)(=O)NCCN2CCOCC2)c(Br)c1 273768426 QGCYIIJKAVEYRG-UHFFFAOYSA-N 393.259 0.758 0 50 GCAA CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2csc(C(=O)O)c2)CC1 298851422 LHOSFQYWVLMOFC-NSHDSACASA-N 389.499 0.667 0 50 GCAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cncnc1 299772634 ARNNMFUMRLZWJF-GOSISDBHSA-N 387.484 0.556 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)COc2ccc(F)cc2)CC1 328642098 QVEMPORAZSMNKY-UHFFFAOYSA-N 388.417 0.542 0 50 GCAA O=C(NCc1cc2n(n1)CCN(C(=O)COC[C@@H]1CCCO1)C2)C1CCC1 426507891 NUTLYXNNLLGTQK-KRWDZBQOSA-N 376.457 0.837 0 50 GCAA CN(C[C@@H]1COCCO1)C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 534639301 ZDOGWEPAIZXKFH-QGZVFWFLSA-N 391.472 0.582 0 50 GCAA COc1ccc2nc(CCN(C)C(=O)N[C@@H]3C[C@@H](C(=O)O)N(C)C3)[nH]c2c1 824758364 XWGDTPRTYSBFMM-ABAIWWIYSA-N 375.429 0.913 0 50 GCAA O=C(CN1CCOCC1)NC[C@H]1CCCN(C(=O)c2cnc(C3CC3)nc2)C1 827836843 KYSPSKACACXBIO-OAHLLOKOSA-N 387.484 0.655 0 50 GCAA NC(=O)CN1CCC[C@@H](C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1 952985726 GVBVLSBJTJXMEC-OAHLLOKOSA-N 393.532 0.807 0 50 GCAA COc1ncc(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)cn1 1615633190 JMSDDEJPNUZUOS-ROUUACIJSA-N 384.484 0.638 0 50 GCAA CCCS(=O)(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857686404 VBWDTUQTGRXMPY-ROUUACIJSA-N 399.561 0.539 0 50 GCAA CNC(=O)CN=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(C(C)=O)C1 1875250855 MQQFOTAXAFPCGV-NRFANRHFSA-N 394.479 0.945 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)NCCCc1nccs1 1875393176 ILEAHBSHWBHHGZ-CQSZACIVSA-N 383.499 0.484 0 50 GCAA O=C(c1n[nH]c(-n2cnnc2)n1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 2100541237 XOMHEEIMXUIJEN-CJNGLKHVSA-N 390.407 0.609 0 50 GCAA Cc1cnn(C2CCN(C(=O)NCc3c(S(N)(=O)=O)c(C)nn3C)CC2)c1 2325820200 FXDNUQCYCOTDMX-UHFFFAOYSA-N 395.489 0.428 0 50 GCAA CC(C)=C(F)C(=O)N1C[C@H](O)C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325878173 HBGDGZJUDUJWHT-CHWSQXEVSA-N 388.461 0.153 0 50 GCAA CCOC(=O)CNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2Cc1ccccc1OC 12745651 WAZJEGKPUSSEEN-DZGCQCFKSA-N 377.397 0.973 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CNCCN3CCOCC3)C2=O)c1 67850201 LAVXKPDIBDOUJO-HXUWFJFHSA-N 377.485 0.471 0 50 GCAA CC(C)=CCN1CCN(C(=O)c2n[nH]c3c2CCC3)[C@H]2CS(=O)(=O)C[C@H]21 72433678 YGXFZUWIDZEDFR-CVEARBPZSA-N 378.498 0.788 0 50 GCAA CC[C@@H](NC(=O)Cn1nc(C)n(CCc2ccccc2)c1=O)c1ncnn1C 77393938 HRUQSMHKBVNRDB-MRXNPFEDSA-N 383.456 0.992 0 50 GCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N[C@H]3C=CS(=O)(=O)C3)ccc21 95365959 HRBHEUNSTNBEFI-ZDUSSCGKSA-N 376.438 0.450 0 50 GCAA CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)[C@H]2CS(=O)(=O)C[C@H]21 95497146 KIDKOSXFAUYLTA-NEPJUHHUSA-N 392.524 0.465 0 50 GCAA CN1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@@]12CCNC(=O)CC2 107413125 RHHLYLPBZMWWTA-HXUWFJFHSA-N 376.476 0.771 0 50 GCAA CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 372474072 PMTQGQZYYJQAIA-INIZCTEOSA-N 393.509 0.905 0 50 GCAA Cn1c(O)ncc(C(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)c1=O 435555552 GTDZTUDJYBAXFN-GFCCVEGCSA-N 375.454 0.727 0 50 GCAA C[C@@]1(c2ccc(C(=O)N3CCSC[C@H]3c3nn[nH]n3)cc2)NC(=O)NC1=O 788601159 GMSGWOMRCALQDE-ZBEGNZNMSA-N 387.425 0.185 0 50 GCAA CCN1CCNC(=O)[C@@H]1Cc1nc(CC(N)=O)nn1Cc1ccccc1Cl 823117610 WKVIBKVFKKUCCD-AWEZNQCLSA-N 390.875 0.370 0 50 GCAA CC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3cn4cccnc4n3)CC2)[C@H]1O 1704352203 RLQGQLUMZJEGMG-FUHWJXTLSA-N 387.440 0.380 0 50 GCAA Cc1[nH]nc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)N3CCOCC3)C2)c1Cl 1857704625 ZYFPTLMZRFIYEE-UGSOOPFHSA-N 395.891 0.957 0 50 GCAA COc1nc2c(cc1CN1C[C@@H]3OCCC(=O)N(C)[C@H]3C1)C(=O)N(C(C)C)C2 1857729194 MOFUFNCBRSNJEQ-IRXDYDNUSA-N 388.468 0.886 0 50 GCAA Cc1cc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc(S(N)(=O)=O)c1C 1857738236 YEJOFPLPRGNHFI-PBHICJAKSA-N 379.438 0.124 0 50 GCAA CS(=O)(=O)c1ccc(N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)nc1 1857738947 GAWGRRCTFVBGGT-UHFFFAOYSA-N 375.454 0.878 0 50 GCAA CCN1CCOC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH]c2cnccc12 1875332500 VLGSZWWCOXCJLG-VQIMIIECSA-N 399.495 0.933 0 50 GCAA CCC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC[C@@H]1C 1875357921 BRANTHIVVDVBFN-HVQZGBDUSA-N 380.489 0.156 0 50 GCAA O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)N[C@@]1(c2ncc[nH]2)CCOC1 1875391891 BDAFZFKODHPIFP-SJCJKPOMSA-N 377.422 0.767 0 50 GCAA COCCC(=O)NCc1cc(CNS(=O)(=O)c2c(C)noc2C)ccn1 2100482830 BLQWFJVSLCDODG-UHFFFAOYSA-N 382.442 0.818 0 50 GCAA CC(C)CNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2cccc(S(C)(=O)=O)c2)C1 2100555174 MRTHRRWKPOCUNA-BPUTZDHNSA-N 382.482 0.732 0 50 GCAA COc1cc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc(OC)n1 622695 GVKOQFSWKHNDFU-UHFFFAOYSA-N 392.393 0.948 0 50 GCAA COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC 12299052 VLCFQTXWSIOAHA-INIZCTEOSA-N 379.457 0.547 0 50 GCAA O=S(=O)(NCCN1CCOCC1)c1ccc(I)cc1 19619025 GIRAKQBBPBYUBM-UHFFFAOYSA-N 396.250 0.902 0 50 GCAA O=C(C[C@H]1CNCCO1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67674275 VDJYXEXZRKCIQY-KRWDZBQOSA-N 385.468 0.720 0 50 GCAA O=C1CCCN1CC1CCN(C(=O)c2ccc(NC[C@H](O)CO)nc2)CC1 67739889 JOWHKFRNDBZBEW-INIZCTEOSA-N 376.457 0.321 0 50 GCAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)C[C@@H]1CNCCO1)C2 71767711 POEZIZRABLLCKS-CQSZACIVSA-N 382.468 0.868 0 50 GCAA Cc1nc(CNC(=O)c2cccc3c2CN(CCc2cn(C)cn2)C3=O)n[nH]1 72418458 ONCSOYBPQJVYKF-UHFFFAOYSA-N 379.424 0.975 0 50 GCAA COc1ccc(CN2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 91391333 VAZBUKXVIHFTBF-CVEARBPZSA-N 382.482 0.762 0 50 GCAA O=C(O)CCN1CCN(Cc2nc3ccccc3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 91997137 UJHBJONJTCOKAY-CABCVRRESA-N 378.454 0.321 0 50 GCAA C[C@H]1CN(C[C@@H](C)O)CCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 170603640 NEXDVUOZUOTMDD-QWHCGFSZSA-N 376.500 0.166 0 50 GCAA CCc1ocnc1C(=O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 213061014 DLXNTKHUZBKJFZ-HIFRSBDPSA-N 378.429 0.605 0 50 GCAA COCCn1c(N)c(C(=O)CN2C[C@@H](C)Oc3cc(C)ccc32)c(O)nc1=O 241738504 QYCPNQKRWFLIKO-GFCCVEGCSA-N 388.424 0.956 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cnn(C(C)C)c3)C2=O)n(C)n1 266319718 HFAYXAJFIQOUAL-AWEZNQCLSA-N 380.474 0.980 0 50 GCAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](C(=O)O)C2)c1 269200660 REFZYWCBVRQMIN-ZETCQYMHSA-N 377.216 0.643 0 50 GCAA O=C(CN1CCN(C(=O)[C@@H]2CCc3[nH]ncc3C2)CC1)NCc1ccccc1 270162096 UKPKKTCOTDMIGA-QGZVFWFLSA-N 381.480 0.975 0 50 GCAA C[C@@H](C[S@](C)=O)N(C)c1ncnc2c1ncn2CC1(CO)CCOCC1 888097082 ABAKWWKGANQTFQ-NRRJATNASA-N 381.502 0.819 0 50 GCAA CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CCCCC3)C2)C1 1329444470 WNDNHKMOVICOTO-CVEARBPZSA-N 385.530 0.955 0 50 GCAA O=C1NC(=O)[C@H](CC(=O)N2CCCN(C(=O)Cc3c[nH]c4ccccc34)CC2)N1 1529177618 BLAUSOQPAOEKEE-INIZCTEOSA-N 397.435 0.369 0 50 GCAA Cc1nonc1C(=O)N1CCC[C@@]2(C(=O)NC3CCOCC3)CCN(C)C[C@H]12 1857690694 PBRDKGFWKUJCGY-HNAYVOBHSA-N 391.472 0.600 0 50 GCAA CCOC(=O)c1cnn2cc(CN3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cnc12 1857733324 FTHNOYNEPMVVLS-BEFAXECRSA-N 385.424 0.829 0 50 GCAA Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)oc1C(=O)N1CCOCC1 1875269767 IQNYZLYNAZZXIE-KFWWJZLASA-N 377.441 0.932 0 50 GCAA O=C(Cn1cc(Cl)c(O)nc1=O)N1CCC2(CCC2)S(=O)(=O)CC1 1875345760 IIDQCDYAQZHMPG-UHFFFAOYSA-N 375.834 0.172 0 50 GCAA CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC)[C@@H]1NC(=O)c1ccccc1 4531123 KXCZDMXWZFGETJ-DIKXUDHVSA-N 395.408 0.666 0 50 GCAA CC(=O)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 12003386 RMEBWYIOHFYPHM-UHFFFAOYSA-N 399.856 0.711 0 50 GCAA CCOC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 12453293 MAFRPWNAKJECHF-MRXNPFEDSA-N 391.468 0.764 0 50 GCAA Cn1ccnc1CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCC2)C1 14740868 YIRMJTYZBVOPMH-QZTJIDSGSA-N 375.517 0.813 0 50 GCAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCN(CCO)CC1 67909960 SQJOBFHEGKSSSV-OAQYLSRUSA-N 375.513 0.583 0 50 GCAA CCC(=O)C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 67974113 LWRYEKDLQKMUPC-MRXNPFEDSA-N 378.517 0.443 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC(C)(C)C(N)=O)CO2 71755151 JJZNBKRJVAXGCR-CYBMUJFWSA-N 392.456 0.030 0 50 GCAA CC(=O)NC1CCN(c2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)CC1 72418147 QNMWSNRJNVYDRX-ZDUSSCGKSA-N 381.502 0.452 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC(O)CC3)[C@H]4C2=O)c1 77376890 ZZLMBBOQSVMEKL-OZIGNCPNSA-N 398.459 0.961 0 50 GCAA O=C(C1CC1)N1CCN(C(=O)CSc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 95513022 AWGFREBCYVBUID-UONOGXRCSA-N 395.506 0.420 0 50 GCAA Cc1noc(C)c1CC(=O)N1CCC(c2nnc(CN(C)CCO)n2C)CC1 96152599 IQOQUNCYVNUOJO-UHFFFAOYSA-N 390.488 0.793 0 50 GCAA COC(=O)C1=CN(CC(=O)NCCCc2ccccc2)S(=O)(=O)N=C1C 169771864 KBOYABVLRUGXFG-UHFFFAOYSA-N 379.438 0.814 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](O)C2)c1)N1CCC1 215515673 ZBEXEIVGARYMOS-MRXNPFEDSA-N 381.498 0.658 0 50 GCAA CC(C)[C@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@@H]1NS(C)(=O)=O 216304342 RSPSWJOAZAUYCI-KGLIPLIRSA-N 378.454 0.340 0 50 GCAA CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H](C)CN3CCOCC3)cc2C1 299781469 LIQJZJNTEAIMDY-HNNXBMFYSA-N 377.489 0.466 0 50 GCAA Nc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n[nH]1 299791391 FCHRTPSYMLFKJL-OAHLLOKOSA-N 390.488 0.071 0 50 GCAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NS(=O)(=O)N1CCOCC1 1565508865 RBDHTLAFXWVYGK-GJZGRUSLSA-N 375.447 0.132 0 50 GCAA Cn1ccnc1CN1CC[C@]2(C1)CN(c1cc(-n3cccn3)ncn1)CCO2 1857685475 KSHQDLABWUKPLQ-IBGZPJMESA-N 380.456 0.877 0 50 GCAA CCS(=O)(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857721816 HRFLFRIXAAEJRQ-UHFFFAOYSA-N 382.486 0.648 0 50 GCAA O=C1CCN(c2ccccc2C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)C(=O)N1 1857730787 XMPOIPZUQFBJMV-QRWLVFNGSA-N 398.419 0.696 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCO)C1)c1cc(-c2ccccn2)[nH]n1 1875245621 IMSOKUFSPSMYBD-XOBRGWDASA-N 398.467 0.307 0 50 GCAA Cc1nc2c(C(=O)N3C[C@H]4[C@@H](N(C)C)CS(=O)(=O)[C@H]4C3)ccnc2n1C 2100555095 LSULSJJYMPCOFY-IHRRRGAJSA-N 377.470 0.076 0 50 GCAA Cc1ccc2c(c1)N[C@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC(F)F)NS2(=O)=O 2325806360 KTQGBUJXVOBMDB-PGUXBMHVSA-N 386.424 0.575 0 50 GCAA O=C(N[C@H]1c2cccc(O)c2C[C@H]1C(=O)O)c1c[nH]c(=NC2CCOCC2)cn1 2325820970 QXKJWZYTSHGWOC-KDOFPFPSSA-N 398.419 0.923 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NCC4(C(=O)O)CC4)cccc3C2=O)C(=O)N1 2325897501 YFLWGHACXFEVGY-CYBMUJFWSA-N 385.376 0.042 0 50 GCAA CCN1CCNC(=O)[C@H]1CC(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356168989 RLGBCTPCUYWBBI-MRXNPFEDSA-N 382.468 0.540 0 50 GCAA CN1CCN2CCN(C(=O)c3coc(COc4cccc(F)c4)n3)C[C@@H]2C1=O 67787482 DHRKZZBAUUJMNT-MRXNPFEDSA-N 388.399 0.991 0 50 GCAA Cn1nc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)n(-c2ccccc2)c1=O 67804300 FXEJNADATKFJNI-CYBMUJFWSA-N 380.408 0.674 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)C(=O)c3ccco3)CC2)C1 71776275 OBKLWVVSKWYVRE-HNNXBMFYSA-N 391.468 0.928 0 50 GCAA CC(C)(C)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC(N4CCOCC4)C2)[C@H]3C1=O 77353838 HRGXIPOIXDWJLV-QOIOWGMHSA-N 375.469 0.110 0 50 GCAA Cc1ocnc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91603060 ZZPXSDJOWYTHRQ-UHFFFAOYSA-N 379.442 0.655 0 50 GCAA CN1C(=O)[C@H](CC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)N(C)C1=O 91932124 IQHBOSNXWOZQQX-AWEZNQCLSA-N 376.388 0.279 0 50 GCAA CCN1CCN(C[C@@H]2CN(c3nc4ccccc4n3CCO)C[C@@H]2CO)CC1 95390394 MDHDFYHIJHMEHW-QZTJIDSGSA-N 387.528 0.711 0 50 GCAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCCCn1ccnc1 95498735 MGHDESLAZJOMRP-UHFFFAOYSA-N 380.456 0.634 0 50 GCAA C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 185651957 ZTBMQHPEQSJJOD-CYBMUJFWSA-N 392.481 0.942 0 50 GCAA O=C(NC1CCOCC1)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 215789091 XIYQBLKCWZWLIZ-UHFFFAOYSA-N 378.454 0.770 0 50 GCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225745879 NQCSGJKNBZCZRS-XYVMCAHJSA-N 386.404 0.714 0 50 GCAA COC(=O)c1cn(-c2ccc(S(=O)(=O)N(C)C)cc2)cc2c(=O)[nH]nc1-2 253405716 IKOOIQMEELXPQI-UHFFFAOYSA-N 376.394 0.702 0 50 GCAA Cc1cc(C)n2c(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cnc2n1 329059677 JEONBWNXSXTLQD-UHFFFAOYSA-N 384.440 0.139 0 50 GCAA Cc1cc(C(F)(F)F)nc(CNC(=O)N2CCC3(CC2)NC(=N)NC3=O)n1 426477415 OQWAPRUUSJHKBE-UHFFFAOYSA-N 385.350 0.502 0 50 GCAA Cc1cccnc1CN1CCN(C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)CC1 823668406 FAEIIEUOJLGWKG-QGZVFWFLSA-N 394.541 0.543 0 50 GCAA CCc1c(C)nn(CC(=O)N2C[C@@H](CO)C[C@@H](CN3CCOCC3)C2)c1C 1565511869 AOKKPIPCBJHVDX-ROUUACIJSA-N 378.517 0.852 0 50 GCAA O=C(NCCO)[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC(=O)N2[C@@H]1c1ccccc1 1857689258 LHOVVMBHXFEOPH-SFHLNBCPSA-N 394.475 0.964 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cncnc2O)cn1 1857718820 USFRWUPGXSCSSR-IRXDYDNUSA-N 386.456 0.984 0 50 GCAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)Cn1nnnc1-c1ccsc1)C2 1875394380 HFKNYVCGMPWXFG-DMDPSCGWSA-N 399.436 0.764 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCCOCCO)C[C@H]1NC(=O)c1cn[nH]c1 2100482324 QSQIYDFGKMLLCG-NUEKZKHPSA-N 382.461 0.229 0 50 GCAA CO[C@H]1CCN(Cc2cn(C)nc2C(=O)N=c2ccn(Cc3ccncc3)[nH]2)C1 2325759946 VGGLFLWAAASHOW-KRWDZBQOSA-N 395.467 0.955 0 50 GCAA Cn1c(N2CCN(C(=O)CC(F)(F)F)CC2)nc(Cl)c1-c1nn[nH]n1 2325808748 KHUFZEAWTMYHAS-UHFFFAOYSA-N 378.746 0.855 0 50 GCAA CN1C(=O)c2ccc(C(=O)N3CC(=O)NC[C@H]3c3ccccc3)cc2S1(=O)=O 2325874734 YZXLOQYNHNBJSF-HNNXBMFYSA-N 399.428 0.774 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c1=O 67726973 CBGDIJZOPLAIMR-UHFFFAOYSA-N 383.383 0.730 0 50 GCAA CN[C@@H](C)C(=O)NCc1cc2c(nc1OC)CN(CCc1ccccn1)C2=O 71589530 RQOUJTURVAXJOR-ZDUSSCGKSA-N 383.452 0.908 0 50 GCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCS(=O)(=O)CC2)[C@@H]3C1=O 77521589 PHWWQOXCOARZOY-FLTUCWPJSA-N 382.482 0.072 0 50 GCAA Cn1cccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91604748 GBQIDCOEZFMJSP-UHFFFAOYSA-N 377.470 0.697 0 50 GCAA Cc1nonc1OCCNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95392212 JIKPGKRDJLUQIV-UHFFFAOYSA-N 386.412 0.910 0 50 GCAA CC[C@]1(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)NC(=O)NC1=O 101918913 HJFUJILMGKTQLH-QGZVFWFLSA-N 377.470 0.863 0 50 GCAA Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)n1 195427679 LMHHPCYJUBLDJT-LNYHADBWSA-N 391.225 0.881 0 50 GCAA C[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 263201314 MKMJNOYNZZSTQT-RYUDHWBXSA-N 390.483 0.668 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)c2c(O)cccc2O)C[C@H]1C(F)(F)F 290664882 USJQWHXPHYBEDL-LDYMZIIASA-N 382.360 0.992 0 50 GCAA N=c1nn[nH]n1CC(=O)N1CCC[C@H](CNC(=O)Cn2ccc3ccccc32)C1 827860976 VJHLBOOBEVNUAI-CQSZACIVSA-N 396.455 0.095 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(OC(F)F)cc1 1704329519 WAAYSHRYKZYWRX-WCQYABFASA-N 378.397 0.924 0 50 GCAA CN1C(=O)C[C@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)[C@H]1c1nccn1C 1775960931 FRDCNKVQCBHDGP-KSSFIOAISA-N 397.483 0.889 0 50 GCAA COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc3n(n2)CCN(C)C3=O)C1 1857673213 LKUQPJBARHYXCY-FQEVSTJZSA-N 382.420 0.926 0 50 GCAA NC(=O)Cc1nc([C@H]2CCn3ncnc3C2)n(-c2ccc3c(c2)OCCO3)n1 1857674933 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0 50 GCAA O=C(NCCCn1ccnn1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 534667827 BDMUQSAZRQJHGS-DZGCQCFKSA-N 389.485 0.957 0 50 GCAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C 888102591 IXBLMOMMWVERJY-DOMZBBRYSA-N 381.502 0.806 0 50 GCAA O=C(N1CC[C@@H]2OCc3cnnn3[C@@H]2C1)C1(N2CCOCC2)CCCCC1 1076057524 OOEHAFMJVQHGST-SJORKVTESA-N 375.473 0.985 0 50 GCAA Cn1c(=O)c(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc2ccccc21 1704306783 YFMRVLOCBNUKEU-ZFWWWQNUSA-N 385.420 0.396 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccncc3)C[C@@H]12)C1CCOCC1 1857689488 FSWQTBPAOXNGAO-BBWFWOEESA-N 379.482 0.222 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)N3CCO[C@@]4(C[C@@H]5CC[C@H](C4)N5)C3)CC2=O)s1 1857715961 PMIJGKLUZVTLFZ-ZXTQRBJTSA-N 391.497 0.711 0 50 GCAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC(N2C(=O)COCC2=O)CC1 1875298454 BDHNVGKXGUGQSB-UHFFFAOYSA-N 376.800 0.978 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 2100482369 UKOUSKQXJDHWFT-DOTOQJQBSA-N 397.431 0.694 0 50 GCAA 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COC[C@@]1(O)CCOC[C@@H]1NC(=O)CCc1ccccc1N1CCOCC1 2325770113 FBTUZPQJWQCVCL-ICSRJNTNSA-N 378.469 0.738 0 50 GCAA Cc1cn(CC(=O)N2CCc3nc(-c4ccccc4)nn3CC2)c(=O)nc1O 2356139548 RQILHPKGROAKNI-UHFFFAOYSA-N 380.408 0.601 0 50 GCAA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1OC 783806 VVIXZARZSLEHCW-FQEVSTJZSA-N 384.388 0.996 0 50 GCAA O=C(NCCO)c1cc2n(n1)CCCN(C(=O)Cc1ccc(F)c(F)c1)C2 65396755 IASBYMIVASXESF-UHFFFAOYSA-N 378.379 0.858 0 50 GCAA Cc1nonc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71754372 MDMYXHWAQNZXFK-HNNXBMFYSA-N 391.472 0.553 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3nccnc3OC)CC2)C1 71771432 RDBUVABWMIGHDR-OAHLLOKOSA-N 377.489 0.929 0 50 GCAA C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[C@@H](C)C1 221923451 NEXDVUOZUOTMDD-STQMWFEESA-N 376.500 0.166 0 50 GCAA Cn1ccnc1CN1CCN(C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)CC1 223167742 LVTRNAUPQHXUEJ-LJQANCHMSA-N 391.472 0.358 0 50 GCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)Cn2c(C)ccc2C)CC1 253413823 VTNVNDOKWGRXTR-UHFFFAOYSA-N 379.486 0.978 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390.465 0.353 0 50 GCAA CN1CC[C@]2(C(=O)NCCc3ccncc3)CCCN(S(C)(=O)=O)[C@H]2C1 1857706772 QDMPLZQKEAOLHB-FUHWJXTLSA-N 380.514 0.486 0 50 GCAA Cc1csc(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)n1 1857720037 BBJKEPOEXAEKOW-IACUBPJLSA-N 377.470 0.332 0 50 GCAA CC(C)N1CCN(CCCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1 77471310 LXAINNQJNBHNOV-UHFFFAOYSA-N 395.548 0.565 0 50 GCAA CN(C)C(=O)N1CCCn2nc(CNC(=O)c3cn4cccnc4n3)cc2C1 91907691 WYJDGRDRJFJUOV-UHFFFAOYSA-N 382.428 0.743 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H]1CO 95382807 GZOYROGPQMVTDT-IAGOWNOFSA-N 388.468 0.042 0 50 GCAA CCN(CC)C[C@@H](O)COc1cc(CN2CCN(C(N)=O)CC2)ccc1OC 95508500 HMGOBRHESYDIMW-QGZVFWFLSA-N 394.516 0.973 0 50 GCAA O=C(c1cccc(S(=O)(=O)N2CCNCC2)c1)N1CCC2(CCO2)CC1 97179421 XTFMWWREXAXCFP-UHFFFAOYSA-N 379.482 0.676 0 50 GCAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 244626499 FMXBMXKUFNSQEO-HDJSIYSDSA-N 392.481 0.799 0 50 GCAA COc1ccc(CCN2C(=O)[C@H](CC(=O)N[C@@H](CO)C(C)C)N=C2O)cc1 252570428 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C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)NC[C@H]3C2)(c2ccccc2)CC1 847554258 YPJZCSZBHFRTJQ-KRWDZBQOSA-N 382.464 0.969 0 50 GCAA C[C@@H]1Oc2ccc(NC(=O)CN3CCN(c4ncccn4)CC3)cc2N(C)C1=O 952968099 JOJREXFUNDBLOO-AWEZNQCLSA-N 396.451 0.981 0 50 GCAA CN1C(=O)[C@]2(CCCN(C(=O)c3c[nH]nc3-n3cnnn3)C2)c2ccccc21 1506419576 FYBJAOGIGZNLSI-SFHVURJKSA-N 378.396 0.536 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(c2nnc(-c3ccccc3)s2)C[C@@H]1O 1565508383 CFHKZDLIXSPGCJ-STQMWFEESA-N 383.499 0.541 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cnn(Cc2ccccc2)c1 1704298561 JFKHCFSPSKGJFZ-IRXDYDNUSA-N 392.481 0.568 0 50 GCAA CCn1c(C)cc(C)c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1=O 1704300807 ZYCHBGDQFLCHKG-KBPBESRZSA-N 385.486 0.121 0 50 GCAA CN1CC2(CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)OCC1=O 1772816908 BCFPSQDYBQOAEI-UHFFFAOYSA-N 393.465 0.583 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 1857673618 PUEAPTLNTQHEFG-MRXNPFEDSA-N 378.440 0.701 0 50 GCAA O=C(CCn1cnnc1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C[C@@H]2CCOC2)CCO1 1857699648 XLXDVOFMWRRKDM-PNYFIKQUSA-N 389.500 0.929 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCS(C)(=O)=O)cn1 1857717267 OTFCVUMIIKDDEN-WMZOPIPTSA-N 398.529 0.609 0 50 GCAA CCOC(=O)C1CCN(S(=O)(=O)NC2=NC(=O)NC2=C(Cl)Cl)CC1 1857799001 IYABHJYUQAFSDR-UHFFFAOYSA-N 399.256 0.864 0 50 GCAA C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1[C@H]1CCN(C(=O)c2ccn3nccc3n2)C1 1875315528 YJBFYPIOWPBANN-YDHLFZDLSA-N 399.455 0.239 0 50 GCAA O=C(C[C@H]1CN(Cc2ccns2)C2(CCC2)CO1)NCCN1CCNC1=O 2325785416 XLVAAIDEOPFVRN-AWEZNQCLSA-N 393.513 0.798 0 50 GCAA CC[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCOc2ccccc2C1 2332237588 CPJJJFONARQUDP-FVQBIDKESA-N 394.493 0.983 0 50 GCAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 4502544 ABUVUNNCSXNKNO-CQSZACIVSA-N 398.481 0.963 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCC(=O)N(C)C)C2=O)c1 67641920 YWJFVUBLTTZIMR-LJQANCHMSA-N 381.448 0.756 0 50 GCAA O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(CC[C@@H]2CCCCN2)nn1 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O=S(=O)(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)N1CCCC1 670433910 ZKOXBDACGPYFNP-CUYAVPTFSA-N 376.526 0.484 0 50 GCAA COC(=O)c1ccc(C(=O)N2CCc3nnc(N4CCN(C)CC4)cc3C2)[nH]1 952892097 DWXNEUDQJVHYNE-UHFFFAOYSA-N 384.440 0.542 0 50 GCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 1565530539 FBSYSGGJZRSVHG-KBPBESRZSA-N 383.470 0.195 0 50 GCAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCO[C@]2(CCNC2)C1 1772812173 CZNPYUZFGBHVEY-KUHUBIRLSA-N 392.525 0.676 0 50 GCAA CN1CC[C@]2(C(=O)NCCn3ccnn3)CCCN(Cc3cncnc3)[C@H]2C1 1857670040 MQGLNRIOGXGZSI-PKOBYXMFSA-N 384.488 0.171 0 50 GCAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC2 1857680260 JMXWOJRCVRFTFD-UHFFFAOYSA-N 393.447 0.726 0 50 GCAA COc1cccc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1 1857715834 KLEGVIYKELAEIH-YCPHGPKFSA-N 397.497 0.294 0 50 GCAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnn(C)c2)CC1=O 2325819412 DGJLXZUPVQJJEV-TZMCWYRMSA-N 376.438 0.835 0 50 GCAA 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O=S1(=O)C[C@H]2NCCN(c3ccnc(N4CCC5(CCCC5)C4)n3)[C@H]2C1 219844812 LGJIAHXVIGTYSZ-CABCVRRESA-N 377.514 0.822 0 50 GCAA CCOC(=O)NCCC(=O)OCCS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 225691146 FDKAJFRRFNKAGR-UHFFFAOYSA-N 386.382 0.574 0 50 GCAA CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@@H](C(=O)O)C2)ccc1F 274967227 BXWMPHHJWVSXCJ-QWRGUYRKSA-N 388.373 0.580 0 50 GCAA COCCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 298796661 KMOKQVNHRUYHNY-CYBMUJFWSA-N 399.394 0.771 0 50 GCAA CCc1ccsc1C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCNC1 328629227 HZTFPFIZBDBWDU-CQSZACIVSA-N 376.482 0.712 0 50 GCAA NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)C1 363101154 HEGUVCYEBUGTNV-ZIAGYGMSSA-N 398.485 0.306 0 50 GCAA CN1C[C@@]2(C)CN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)C[C@@]2(C)C1 913289272 FRJWZOUDYRFIMR-KDURUIRLSA-N 384.488 0.536 0 50 GCAA Cc1c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cnn1-c1ccccn1 1704299594 RNICYIVAWSNKFP-DZGCQCFKSA-N 393.469 0.212 0 50 GCAA CCn1cc(CN2C[C@H]3CN(C(=O)c4ccc5nn[nH]c5c4)C[C@]3(CO)C2)cn1 1772818782 YHMSKHNFKBXGFS-JXFKEZNVSA-N 395.467 0.741 0 50 GCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@]12COC[C@H]1CN(CCS(C)(=O)=O)C2 1857689334 BCSQMCDYFAMPLW-CRAIPNDOSA-N 398.529 0.068 0 50 GCAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCCc1cnn[nH]1 1857694939 ZYMBVTIGYABMJT-QGZVFWFLSA-N 394.483 0.950 0 50 GCAA C[C@@]1(CNC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCNC1 2325896033 PFWYSLFKDYXZFB-FOIQADDNSA-N 384.436 0.177 0 50 GCAA Cc1sccc1C(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 2332237690 HVXLHYASNNNFKP-KGLIPLIRSA-N 399.476 0.944 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CC3(CN(C)C3)C2)cc1OC 2356147040 FQPIBVLUDIGLGX-SJORKVTESA-N 375.425 0.034 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc1n(CCN3CCOCC3)c(-c3ccccc3)cn21 12547269 MZHUVPYGPVGMAG-UHFFFAOYSA-N 394.435 0.675 0 50 GCAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1ccccc1 14535027 SDQZGKAYJQBVCC-JQHSSLGASA-N 379.416 0.833 0 50 GCAA CS(=O)(=O)NC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 23478968 GSGVDGBVKGDPNI-MSOLQXFVSA-N 379.526 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O=S(=O)(c1ccnn1CCc1ccccc1)N1CC(N2CC[C@H](O)C2)C1 888100806 WFVBQPWDHXBPRG-KRWDZBQOSA-N 376.482 0.565 0 50 GCAA Cc1cc(NC(=O)CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1F 952986495 DXDVQUFPOVZGCR-AWEZNQCLSA-N 378.448 0.989 0 50 GCAA Cn1c(N2CCC[C@H](CNC(=O)c3ccoc3)C2)nc2c1c(O)nc(=O)n2C 952989608 WLVQFMHWLHNVAF-LLVKDONJSA-N 386.412 0.612 0 50 GCAA Nc1ncccc1CN1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@]2(CO)C1 1772814712 PDKYIMCVFSHQEK-IIBYNOLFSA-N 396.447 0.959 0 50 GCAA Cc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3C(=O)N2CCS(=O)(=O)CC2)o1 1857671330 FNCQPOLBIAJRHZ-MELADBBJSA-N 381.454 0.399 0 50 GCAA Cn1ncc2c(N)nc(N3CCO[C@]4(CCN(Cc5cnsc5)C4)C3)nc21 1857674756 XBIUZKCRGONBDO-KRWDZBQOSA-N 386.485 0.883 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCC2CCOCC2)C1)c1cnccn1 1857683469 VBSPRNCEIONBTE-JXFKEZNVSA-N 387.484 0.746 0 50 GCAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c1C 1857701177 FIMNFULJMGBNKB-MJBXVCDLSA-N 397.497 0.607 0 50 GCAA 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0.789 0 50 GCAA O=C(C1CCC1)N1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1 426578605 NJCVJPRXNAFYEZ-OAHLLOKOSA-N 375.473 0.833 0 50 GCAA COc1nnc(NC(=O)N[C@@H]2CC[C@@H](N3CCN4C(=O)CC[C@@H]4C3)C2)s1 886066034 NAQXBRSKFOUXIB-IJLUTSLNSA-N 380.474 0.896 0 50 GCAA O=S(=O)(N1CCOCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506403507 BXZHIUIWBKWOOC-GOSISDBHSA-N 380.514 0.460 0 50 GCAA Cc1cc(F)ccc1S(=O)(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704300344 YCFPUFLLBMNLRW-AAEUAGOBSA-N 380.463 0.319 0 50 GCAA Cc1nonc1OCCNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772805286 IYUBAUGMFKJXGH-LBPRGKRZSA-N 393.469 0.971 0 50 GCAA C[C@@H](NC(=O)C1CCCC1)C(=O)NCCOCCN(C)C(=O)c1ccn(C)c1 1775989416 NPZGNZDHZPOTJM-OAHLLOKOSA-N 392.500 0.925 0 50 GCAA Cc1nnc2n1C[C@]1(CCN(C(=O)Cn3ncc4ccccc4c3=O)C1)OC2 1857714610 YPIGEQBDEFDKNN-LJQANCHMSA-N 380.408 0.498 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)NCCc3nncn3CCOC)CC2=O)s1 1857737712 ZMDTXTXERGLICK-NSHDSACASA-N 393.473 0.050 0 50 GCAA Cc1cc(C(=O)NCc2cnc3c(c2)CN(C(=O)[C@@H]2CCC(=O)N2)CC3)nn1C 1875245486 BSUOPVHMHQYKCD-INIZCTEOSA-N 396.451 0.217 0 50 GCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cccc(OCC(=O)N2CCCCC2)c1 1875248914 XVZWHKVZXPKONX-PSBWJHGTSA-N 390.436 0.335 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3ccc(-n4ccnc4)nc3)C2)cc[nH]1 1875397740 LWNQOHFSLGZNJX-CVEARBPZSA-N 380.456 0.514 0 50 GCAA O=C(O)CCCCNC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896937 KSBKKUDHFALIIZ-AWEZNQCLSA-N 387.392 0.432 0 50 GCAA O=C1CC[C@H](N2C(=O)c3ccc(C(=O)N4CCC(F)CC4)cc3C2=O)C(=O)N1 2325898075 RIXDEEAIFUYSRR-AWEZNQCLSA-N 387.367 0.662 0 50 GCAA CN(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 2881080 UEQKUHSBASOXHJ-UHFFFAOYSA-N 378.292 0.747 0 50 GCAA CC[C@@H](C)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763377 ABZLHWFIQIXUGG-CXAGYDPISA-N 393.440 0.733 0 50 GCAA CC(C)C[C@H]1C(=O)N2CCN(S(=O)(=O)c3ccccc3F)C[C@@H]2C(=O)N1C 14751218 QAXREVSNBLGPOB-LSDHHAIUSA-N 397.472 0.914 0 50 GCAA Nc1cc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nc(N)n1 71755291 IHQXSMWGMNDCIK-HZPDHXFCSA-N 387.463 0.542 0 50 GCAA CN(C)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 72115430 STVGMMKIEWUXHF-UHFFFAOYSA-N 382.486 0.845 0 50 GCAA COc1cc(CN2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F 72474602 URRRQTGAUVEXOH-UONOGXRCSA-N 392.474 0.077 0 50 GCAA Cc1n[nH]c(C)c1CCC(=O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77343016 NHDSLFAEKIKZKK-SJORKVTESA-N 380.514 0.679 0 50 GCAA Cc1nnc(SCC(=O)N[C@@H]2CCCCN(S(=O)(=O)N(C)C)C2)o1 82092076 ISRIUIKKSOTGTO-LLVKDONJSA-N 377.492 0.247 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](Cn2cc(-c3cccc(-n4cccn4)c3)nn2)C1 91713498 SMCPXKFTXLQHJQ-INIZCTEOSA-N 388.453 0.791 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnc3ccccc3c1=O)C2 95386818 ZKVHSTUFUMUDDY-UONOGXRCSA-N 390.465 0.279 0 50 GCAA O=C1CN(Cc2cn(CC3CCN(C4CCSCC4)CC3)nn2)CCN1 96757417 AJOMYFOMOAZBSR-UHFFFAOYSA-N 378.546 0.818 0 50 GCAA Cc1cnn(CCCNC(=O)c2cccc(S(=O)(=O)N3CC(O)C3)c2)c1 97480021 RIOSDCHMYLXBAW-UHFFFAOYSA-N 378.454 0.377 0 50 GCAA Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3S(=O)(=O)N2)nc2c1CCC2 215672332 BURBFFHLLBUFSN-INIZCTEOSA-N 386.477 0.836 0 50 GCAA CN(CCc1ncon1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCNC2)c1 215812703 FHQUALHNISVZCD-ZDUSSCGKSA-N 379.442 0.025 0 50 GCAA Nc1nc(SCC(=O)N2C[C@H]3CCN(C(=O)N4CCCCC4)[C@H]3C2)n[nH]1 216590638 CTOCXJAMVIUXCX-NEPJUHHUSA-N 379.490 0.618 0 50 GCAA CNC(=O)CCCS(=O)(=O)c1nnc(N2CCOCC2)n1-c1ccccc1 225684662 FTJCEMHHODGRST-UHFFFAOYSA-N 393.469 0.404 0 50 GCAA OC[C@@H]1O[C@H](n2c(SCc3ccccc3)nc3c(O)ncnc32)[C@H](O)[C@H]1O 247796308 CNMCFXDTJZNDME-VFFTVRQLSA-N 390.421 0.436 0 50 GCAA CN1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](CNC(=O)OC(C)(C)C)C1 252477111 IJPWKTFQXGTVAK-QWHCGFSZSA-N 390.506 0.024 0 50 GCAA COc1cccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)c1 252570988 XMYDQIPAALKJKW-LWIWOBKBSA-N 379.478 0.529 0 50 GCAA COc1cccc(C(=O)NCC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 266513180 FLRDODOOQSVKSJ-HNNXBMFYSA-N 385.424 0.470 0 50 GCAA Cc1cc2c(cc1NC(=O)N1CCN(S(C)(=O)=O)CC1)n(C)c(=O)n2C 426628235 KWQXMGYGOTVSFO-UHFFFAOYSA-N 381.458 0.295 0 50 GCAA 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FOSSONMNCDCGAB-UHFFFAOYSA-N 394.453 0.020 0 50 GCAA O=C(O)[C@H]1CCCN(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)C1 1506426929 QMYWABNYJOANPA-INIZCTEOSA-N 397.497 0.724 0 50 GCAA Cc1cc(CC(=O)N2C[C@@H]3CN(Cc4cnn5cccnc45)C[C@]3(CO)C2)on1 1772811272 UZNUJTADXJEGHI-OXJNMPFZSA-N 396.451 0.521 0 50 GCAA Cc1nonc1CNC(=O)[C@@H]1C[C@@H]2CN(CC(=O)O)CC(=O)N2[C@@H]1CC(C)C 1857704169 GUAYGAYIRWPFDV-UMVBOHGHSA-N 393.444 0.026 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)CNC3CC3)[C@H]2c2cnn(C)c2)CC1 1857737431 MBDFZAKDENQOBV-ICSRJNTNSA-N 390.532 0.078 0 50 GCAA NCC(=O)N1[C@H](C(=O)NC2CCN(Cc3cccnc3)CC2)C[C@@H]2CCC[C@@H]21 1875304139 BJJZCIYMTVDNFT-WDSOQIARSA-N 385.512 0.891 0 50 GCAA O=C(c1cc(C(=O)N2CC[C@]3(C2)OC[C@@H]2C[C@H]23)[nH]n1)N1CC[C@]2(C1)OC[C@H]1C[C@@H]12 1875308524 JUQKVDIGLWKCJP-WXPREJFJSA-N 398.463 0.912 0 50 GCAA Cc1nc(O)cc(C(=O)NC[C@H]2CC3(CCC3)CN2C(=O)[C@@H]2CNC(=O)O2)n1 1875331721 VQPVLIIVTHIJNF-YPMHNXCESA-N 389.412 0.100 0 50 GCAA Cn1ccc(N2CC[C@@H](NC(=O)NC3CCC4(CC3)CS(=O)(=O)C4)C2=O)n1 2325829581 NFAMPZBEIJWANG-CYBMUJFWSA-N 395.485 0.182 0 50 GCAA COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 14977845 LHVFZTJZQAXGGK-HNNXBMFYSA-N 379.457 0.547 0 50 GCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 65363407 FHHBZADDUFGSAL-SFHVURJKSA-N 395.525 0.807 0 50 GCAA CS(=O)(=O)NCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72170213 SOPYHGGTOHDFRF-CGTJXYLNSA-N 379.482 0.330 0 50 GCAA Cc1noc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 82098699 XURBXQXOLSVBFB-MRXNPFEDSA-N 377.489 0.913 0 50 GCAA CS(=O)(=O)NCCNC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 95500607 BLVVKOIGKGAWQF-AWEZNQCLSA-N 384.458 0.266 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 170598624 YYOYEXCMFXAJGJ-UHFFFAOYSA-N 391.496 0.993 0 50 GCAA O=C(C(=O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1)c1ccco1 213357708 PFTJDPYHORZBNX-HIFRSBDPSA-N 377.397 0.216 0 50 GCAA COCCCN(Cc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 244673774 HVFBJVZULYIQHL-INIZCTEOSA-N 386.452 0.975 0 50 GCAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc2ncnn2c1O 252538448 NBKSVWZXFCHSGD-OAHLLOKOSA-N 383.408 0.971 0 50 GCAA C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N(C)Cc1c(F)cccc1Cl 253400474 KYZFAOJADTTYDT-SECBINFHSA-N 377.825 0.845 0 50 GCAA CCn1c(O)nc2cc(C(=O)N[C@@H](C(=O)O)[C@H]3CCCOC3)ccc2c1=O 262707058 ASLTWVBAVBTEQL-SMDDNHRTSA-N 375.381 0.732 0 50 GCAA COC(=O)CC[C@H]1NC(=O)N(c2ccc(O[C@H]3CCN(C)C3=O)cc2C)C1=O 285943804 IDXGJMJUKMBHTG-HIFRSBDPSA-N 389.408 0.983 0 50 GCAA Cc1cc(N2CCC[C@@H](N(CC(=O)N(C)C3CC3)S(C)(=O)=O)C2=O)n(C)n1 328609294 CRSMCUDLMRPHKJ-CQSZACIVSA-N 397.501 0.106 0 50 GCAA CCn1cc(S(=O)(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)nc1C 858617847 MSLMPMGGULMMRU-KGLIPLIRSA-N 383.474 0.157 0 50 GCAA CNC(=O)c1cc2n(n1)CC1(CCN(CC(=O)N3CCC[C@@H](C)C3)CC1)OC2 1775961631 OHWINANTEDGYIN-OAHLLOKOSA-N 389.500 0.866 0 50 GCAA CCOCC(=O)N1CCC[C@]2(C1)CN(c1cncc(N(C)C)n1)CC[C@H]2O 1857681536 MTPGVKMLVXTBTM-DNVCBOLYSA-N 377.489 0.759 0 50 GCAA COc1ccc([C@@H]2[C@H](C(=O)NCCn3cncn3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857689132 GVQJAPNENNGQCM-SZVBFZGTSA-N 398.467 0.307 0 50 GCAA CC1(C)[C@H](CN)C[C@@H](C(=O)NCc2nc(O)c3ccccc3n2)S1(=O)=O 1875359388 BPEMCJMADISNKA-GWCFXTLKSA-N 378.454 0.492 0 50 GCAA CCn1cc(-c2nn(C)cc2C(=O)NC[C@]2(CO)COC[C@@H](C)N2C)cn1 2325786161 JHCFBVVFBJQJOS-ACJLOTCBSA-N 376.461 0.115 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)N4CCCC[C@@H]4C(=O)O)cccc3C2=O)C(=O)N1 2325897471 XUTRIVCMIJELIV-HUUCEWRRSA-N 399.403 0.527 0 50 GCAA CCCN1CCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC1(C)C 2332237616 DVGSIELHDGNHIB-ZJIFWQFVSA-N 399.557 0.553 0 50 GCAA Cn1ncc(-c2ccccc2)c1N(CC(=O)N1CCOCC1)S(C)(=O)=O 2356142645 AXQYAHJDULQREA-UHFFFAOYSA-N 378.454 0.712 0 50 GCAA Cn1c(CO)nnc1CC1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 55327368 FWTSBJQTFNKGAZ-AWEZNQCLSA-N 377.489 0.736 0 50 GCAA Nc1nc(N2CCOCC2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 67770914 YWOYPSVAUUGBQC-LSDHHAIUSA-N 399.451 0.979 0 50 GCAA COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)N1CCS(=O)(=O)CC1 71278937 XSIJUJUXWCLDQY-HNNXBMFYSA-N 379.438 0.580 0 50 GCAA CC[C@H]1CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccccc1 71765572 RMOYJGMKLSXFSG-INIZCTEOSA-N 384.436 0.645 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)Cn2ccnc2-c2ccccc2)C1 95503590 RKKLOJMMVREKTE-HNNXBMFYSA-N 378.454 0.327 0 50 GCAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCCn3cccn3)N=C2O)cc1 252538114 MSHAXNLNOHOGDL-MRXNPFEDSA-N 385.424 0.766 0 50 GCAA COc1ccc(C(=O)N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)cc1 264347044 XZUHSQSQCCZWJQ-QGZVFWFLSA-N 376.457 0.493 0 50 GCAA O=C(N1CCCC1)N1CCC[C@H](C(=O)N2CCSC[C@H]2c2nn[nH]n2)C1 907478805 WGLSJHMFXFLVMG-STQMWFEESA-N 379.490 0.744 0 50 GCAA Cc1cn2c(=O)cc(CN3C[C@@H]4CC[C@H]3CN(S(C)(=O)=O)C4)nc2s1 1073384983 WALDMHZNJFPBEI-JSGCOSHPSA-N 382.511 0.920 0 50 GCAA CC(=O)N1CCCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529178083 HNUOQUUVYSRKAE-SJORKVTESA-N 379.844 0.977 0 50 GCAA CS(=O)(=O)NCCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704355174 MKDYEGCJLGIQJI-PBHICJAKSA-N 377.466 0.848 0 50 GCAA CCOC(=O)c1cccc(-n2nc(CC(N)=O)nc2[C@H]2CCc3ncnn3C2)c1 1857739509 MKZCMJUTILFVNR-ZDUSSCGKSA-N 395.423 0.793 0 50 GCAA Cn1c(N2CC[C@@H](N[C@H](c3ccccc3)c3ncc[nH]3)C2)cc(=O)n(C)c1=O 1875400303 WFGWJKDCWXVLFX-CRAIPNDOSA-N 380.452 0.765 0 50 GCAA COc1ncc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2C)c(C(F)(F)F)n1 1875402585 HXTIMAVMVNIOLF-OTYXRUKQSA-N 378.351 0.315 0 50 GCAA CC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C1(C)C 11782416 DYTHJNXRPQRGGT-CYBMUJFWSA-N 389.500 0.998 0 50 GCAA CCCn1c(-n2nc(CC)cc2CC)nc2c1c(=O)n(CC(N)=O)c(=O)n2C 12518942 AWTSHBDRKPZHHE-UHFFFAOYSA-N 387.444 0.103 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 16726407 QKVMHRCZPBKYES-UHFFFAOYSA-N 377.422 0.786 0 50 GCAA CCCNC(=O)C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 72422189 QQHCKWZFTJTNGF-CYBMUJFWSA-N 384.454 0.764 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)[C@H]2CS(=O)(=O)C[C@H]21 72425928 ONXQOOMPLXHWFJ-LSDHHAIUSA-N 382.486 0.225 0 50 GCAA CC(C)CCN1C[C@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CCC1=O 91644050 GAFAOHFMPJZAJD-LJQANCHMSA-N 378.473 0.816 0 50 GCAA COCC(=O)N1CC[C@]2(O)CCN(CC(=O)NCc3ccccc3)C[C@@H]2C1 95389277 FXMGQMXWUCRDPC-YLJYHZDGSA-N 375.469 0.235 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(OCC(N)=O)c1)C2 95390836 WXXHEBWMRFKWTE-GXTWGEPZSA-N 381.454 0.047 0 50 GCAA Cc1cn(CC(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)c(=O)[nH]c1=O 95391799 CNXRVVZXJGGWHE-HXUWFJFHSA-N 388.468 0.486 0 50 GCAA CN(C)c1nc(N2C[C@H]3CN(CCO)C[C@@]3(C(=O)O)C2)cc(C(F)(F)F)n1 96132567 AZZIAPCXIFYBCY-MEBBXXQBSA-N 389.378 0.377 0 50 GCAA O=C(NCCc1nccs1)c1cccc(S(=O)(=O)N2CCNCC2)c1 216484801 JBIZUFGQNGKTFF-UHFFFAOYSA-N 380.495 0.710 0 50 GCAA COCC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 221995099 BYUYZBYEGMHCCE-SJORKVTESA-N 394.493 0.410 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)NCCc2cn[nH]c2)C[C@H]1C(F)(F)F 290996540 YAOHHXDZTACZHT-GHMZBOCLSA-N 383.396 0.416 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)Cn2ccc([C@@H]3CCCNC3)n2)cc1 426378001 NUUOIKGENIHYRC-CQSZACIVSA-N 377.470 0.314 0 50 GCAA COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)NC(=N)NC4=O)cc2)nn1 426669131 PCIBAXYIZJXPRB-UHFFFAOYSA-N 380.408 0.781 0 50 GCAA C[C@H]1CN(c2ncnc3c2ncn3CC2(CO)COC2)CCN1CC(C)(C)O 888097172 DCDLQOROGUNMAR-AWEZNQCLSA-N 390.488 0.117 0 50 GCAA CS(=O)(=O)Cc1ccc(N2CCC(CNC(=O)[C@H]3CCOC3)CC2)nc1 952989508 XHWQMBYXIQGNQL-INIZCTEOSA-N 381.498 0.995 0 50 GCAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)Cc3cnc(O)n(C)c3=O)CC[C@@H]21 1565528418 BEANDMOYXOARMY-HIFRSBDPSA-N 376.457 0.668 0 50 GCAA Nc1ncc(CN2C[C@H]3CN(C(=O)c4ccncc4Cl)C[C@@]3(CO)C2)cn1 1772818365 RBJDLYZZHYSTRS-SCLBCKFNSA-N 388.859 0.674 0 50 GCAA O=C1NCC[C@H]1C(=O)NCC1(O)CCN(C(=O)c2occ3c2CCCC3)CC1 1775990061 CHHUNLLNVRLFEQ-OAHLLOKOSA-N 389.452 0.378 0 50 GCAA O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(O)n2ccccc2nc1=O)NCCO 1857526246 HFBNJIIGGBARDD-CYBMUJFWSA-N 397.387 0.759 0 50 GCAA Cn1cccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1=O 1857727389 QJCHSALMNYYCNN-OALUTQOASA-N 398.463 0.695 0 50 GCAA O=C1CN(C(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCCN1 1857729869 IDDQVTNHRMLBEG-CQSZACIVSA-N 399.476 0.830 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2cc(O)nn2C)CC1 1875318793 WLYVJCGTWNMZCJ-UHFFFAOYSA-N 383.430 0.314 0 50 GCAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)Cn2nnnc2CN2CCCC2)C1 12387523 CTAGBMPGSYFGHC-OAHLLOKOSA-N 383.456 0.785 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCN1CCCC1=O 12578137 HOVZYPOCEFNBEI-SFHVURJKSA-N 386.496 0.814 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cccc(Cl)c3)nn2)CN1 67431784 DSLOMJXVZZPIBD-CABCVRRESA-N 376.848 0.853 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCC(C(N)=O)CC3)C2=O)c1 67642478 XGSIBAPVKYLEOZ-FQEVSTJZSA-N 393.459 0.885 0 50 GCAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@H]2CNCCO2)CC3)cn1 95376489 ROSQDEBNAZAWFV-QGZVFWFLSA-N 387.484 0.505 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)[nH]c2=O)CN1C1CCOCC1 95500342 PZBUHFGTEHCNRA-BBRMVZONSA-N 376.457 0.171 0 50 GCAA Cn1c(C(=O)N2CCN(c3nsc4ccccc34)CC2)cc(=O)n(C)c1=O 95506481 XWIFMAZZKYONPK-UHFFFAOYSA-N 385.449 0.656 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)cc(C)o2)CN1C(=O)C1CCC1 96140092 CLUDSCRXGBYNCU-ZFWWWQNUSA-N 375.425 0.584 0 50 GCAA Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C(=O)O)C1 96180928 YIQMHAKIHQERED-QFYYESIMSA-N 381.410 0.066 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)C2=O)cn1 117695941 KLINXYWKGJROOK-QZTJIDSGSA-N 395.463 0.875 0 50 GCAA Cc1cc(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n[nH]1 154454329 XCCLPNNMFKBVQV-OAHLLOKOSA-N 385.472 0.672 0 50 GCAA Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)no1 239235646 WKTICRXQEWRBTH-LYEQHPFYSA-N 375.381 0.884 0 50 GCAA COCC(=O)NCc1cc2n(n1)CCN(Cc1cnc(N3CCCC3)nc1)C2 299796573 RFNODXGHIPXROI-UHFFFAOYSA-N 385.472 0.552 0 50 GCAA NS(=O)(=O)C[C@H]1CCN(C(=O)CCCn2cnc3ccccc3c2=O)C1 426509954 DWTGLOULZDXIRY-ZDUSSCGKSA-N 378.454 0.314 0 50 GCAA C[C@H](Cc1cccs1)C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1 886031765 SWVHYPBVVIFBHY-HIFRSBDPSA-N 390.509 0.715 0 50 GCAA Cc1ccn2c(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)nnc2n1 1506400890 AOZVBNKOPJFGOH-UHFFFAOYSA-N 378.389 0.977 0 50 GCAA C[C@H](C(=O)N1CCCN(C(=O)C2=NNC(=O)CC2)CC1)n1cnc2ccccc21 1529153884 WLEFMOMNRCLXPQ-CQSZACIVSA-N 396.451 0.924 0 50 GCAA Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529159127 OQXAWUPDPPNASX-RHSMWYFYSA-N 381.440 0.526 0 50 GCAA CSCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3cc[nH]n3)CC2)[C@H]1O 1704337181 XWACNKGSHIPWBM-JKSUJKDBSA-N 382.486 0.404 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C[C@@H]1O 1857716053 UMDAKIFUTWEOPV-ZBEGNZNMSA-N 394.453 0.107 0 50 GCAA COC(=O)c1ccc(NC(=O)N2C[C@H]3[C@@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1 1857730613 XMCWXSNHCXAUMR-KKUMJFAQSA-N 381.454 0.664 0 50 GCAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cn2c(n1)CCN(c1nncs1)CC2 1940195759 KQQNMYOKBAVGID-LBPRGKRZSA-N 384.469 0.808 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NCc2cnn(C)c2C)CC[C@H]1NC(=O)Cc1cc[nH]n1 2356139532 ZYGNVMFNWCHKOA-IAOVAPTHSA-N 388.472 0.610 0 50 GCAA CCN(CCO)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 12036271 RCHPJQSGCYUYJH-IBGZPJMESA-N 380.416 0.700 0 50 GCAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cn2nnnc2CN2CCCC2)C1 12301588 CTSNRKHTCYUUOY-CQSZACIVSA-N 386.460 0.124 0 50 GCAA COc1ccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC 65365062 SHJJOWFPKIGCEX-ZDUSSCGKSA-N 385.486 0.632 0 50 GCAA COc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NCCNC3=O)c(C)c1C 67604979 VTZHCCBFGPYUIH-UHFFFAOYSA-N 381.498 0.863 0 50 GCAA O=C(O)COc1ccccc1CN1CCN[C@@H](C(=O)NCc2ccncc2)C1 72164757 LPTQQXWXUTYNJI-QGZVFWFLSA-N 384.436 0.635 0 50 GCAA CN1CCC(O)(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1 72477939 CADFCNWXXOXGPG-CYBMUJFWSA-N 383.518 0.216 0 50 GCAA CCN1CC2(CCN(C(=O)[C@H]3Cc4ccccc4S(=O)(=O)N3)CC2)CC1=O 77439496 JTHUGSUIXNFPSI-OAHLLOKOSA-N 391.493 0.751 0 50 GCAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1cnc3ccccn3c1=O)CCN2C 95523539 KDOHAXHSHBLZHR-HXUWFJFHSA-N 383.452 0.463 0 50 GCAA C[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266688732 UVBITYCDOYYHGI-RGTXSCMUSA-N 395.419 0.434 0 50 GCAA Cc1ccn(C[C@](C)(O)C(=O)N2CCC(N3CCCN=C3O)CC2)c(=O)c1 329868509 XNPJIQBRTKCACE-IBGZPJMESA-N 376.457 0.518 0 50 GCAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 363117322 FZEDFZWNYZZSDW-OKZBNKHCSA-N 388.447 0.884 0 50 GCAA CCCS(=O)(=O)N1CCC(NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)CC1 433279651 UTDDPQHUGSQZMK-ZDUSSCGKSA-N 395.547 0.267 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)n2ncnc2n1 952985674 XNTISCFSOPMWAU-AWEZNQCLSA-N 384.440 0.957 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc3nccnc3c2)C1 1506399837 JWWVTNXWPQNSBY-ZDUSSCGKSA-N 377.470 0.878 0 50 GCAA COc1ccc([C@H]2CN(C(=O)CCn3ccc(O)nc3=O)C[C@@H]2N(C)C)cc1 1565531300 WZZCNLCCBFEQQH-SJORKVTESA-N 386.452 0.904 0 50 GCAA Cn1ccc(C(=O)N2CC[C@](C)(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)c1 1775989340 KZOVQENGKQAEGY-SJORKVTESA-N 382.486 0.218 0 50 GCAA CN(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nnc3n1CCCCC3)CCO2 1857704138 FRHVHHTXSROWSL-IBGZPJMESA-N 390.488 0.010 0 50 GCAA O=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C2)CCCN1 1875243954 FWJXHRUYKWCBQX-YSVLISHTSA-N 384.436 0.386 0 50 GCAA COC(=O)CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cncc(F)c3)[C@@H]2C1 1875247911 UJRDCFKAECBYJF-NILFDRSVSA-N 379.388 0.520 0 50 GCAA O=C(c1cc(C(=O)N2CC[C@]3(C2)OC[C@@H]2C[C@H]23)[nH]n1)N1CC[C@]2(C1)OC[C@H]1C[C@H]12 1875308522 JUQKVDIGLWKCJP-NXFGENBWSA-N 398.463 0.912 0 50 GCAA Cn1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2nccn2CC2CC2)c(O)nc1=O 1875346320 ZXKQNPKHKZENMT-ZDUSSCGKSA-N 393.469 0.864 0 50 GCAA Cc1nc(C(=O)NC2(CCO)CCOCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404042 RKSWLFIMGACJIM-MRXNPFEDSA-N 391.516 0.895 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)NCC(F)(F)F)cc3C2=O)C(=O)N1 2325886675 DVURUHKCJPODSK-LBPRGKRZSA-N 398.341 0.809 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CO)n2Cc1ccccc1Cl 637555 SGTIFNOUZGINCE-SNVBAGLBSA-N 396.856 0.570 0 50 GCAA CCOC(=O)c1nnn(-c2nonc2N)c1CN1C(=O)c2ccccc2C1=O 2545764 ZKFYGSQWMXHPHD-UHFFFAOYSA-N 383.324 0.205 0 50 GCAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC[C@H]3CCCO3)=C2)cc1 6800306 XDMSZISVWTXKNS-CQSZACIVSA-N 379.438 0.854 0 50 GCAA O=C1CCCN1CCCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 12473234 NZZVEHGJOXOOMQ-LJQANCHMSA-N 391.512 0.861 0 50 GCAA O=C(CN1CCOC1=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 12835538 MQEGJEBYOQVLRO-MRXNPFEDSA-N 395.481 0.797 0 50 GCAA O=C1NC(=O)[C@](c2ccccn2)(C2CCN(C(=O)c3ccc[nH]c3=O)CC2)N1 67771769 NAVNFATXXQUAMB-LJQANCHMSA-N 381.392 0.357 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCc3cc(=O)[nH]cn3)C2=O)c1 67803512 WINPVTVSJYVBMP-IBGZPJMESA-N 390.415 0.561 0 50 GCAA CCc1cc(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 77470428 WOIBPACFKIMALC-UONOGXRCSA-N 377.426 0.155 0 50 GCAA COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc1OC 95375419 FUNAAIIWHFYKDM-ZDUSSCGKSA-N 376.409 0.828 0 50 GCAA COCc1nnc(NC(=O)CN2CCN(c3ncnc(C)c3C)CC2)s1 244748639 OLOSIGPIRSKYTF-UHFFFAOYSA-N 377.474 0.852 0 50 GCAA C[C@@]1(C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)NC(=O)NC1=O 365935564 YJDYEJRCKVWCLL-IBGZPJMESA-N 388.424 0.706 0 50 GCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 859226799 VOTMOJUSZPPZGH-CQSZACIVSA-N 383.445 0.739 0 50 GCAA Cn1ncc2c(N)nc(N3CCO[C@@]4(CCN(Cc5cnsc5)C4)C3)nc21 1857674757 XBIUZKCRGONBDO-QGZVFWFLSA-N 386.485 0.883 0 50 GCAA O=C(Cc1ccsc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(C3CCOCC3)C[C@@H]12 1857692295 XXVWOBKISCRALP-XHSDSOJGSA-N 384.523 0.683 0 50 GCAA C[C@@H](N)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)N(C)CCO)cc12 1857692875 YMBNRSBPJLJFCP-GFCCVEGCSA-N 381.498 0.550 0 50 GCAA CN(CCNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)S(C)(=O)=O 1857722137 CUYIRHANIHXJFG-LLVKDONJSA-N 396.494 0.657 0 50 GCAA COCCn1nnc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 1875245148 LZBDTLBZKWXNPU-HNNXBMFYSA-N 381.458 0.297 0 50 GCAA NC(=O)CNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)CCCCc2ccccc2)C1 1940197810 STSCRTNKTATXPD-GVDBMIGSSA-N 375.469 0.647 0 50 GCAA CC[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CCN(CCN4CCCS4(=O)=O)C3)C2)O1 2325793587 ACIGPYBCRJENKF-LMMKCTJWSA-N 399.557 0.904 0 50 GCAA C[C@@H]1CCN(C(=O)CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325893107 OIQPSJUGWQCPRH-MLGOLLRUSA-N 384.436 0.728 0 50 GCAA CCCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cnc[nH]3)[C@@H](O)C2)on1 2356152177 DDBBIZSLOMWMJO-PJODQICGSA-N 375.429 0.926 0 50 GCAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(C(=O)OC)cc1 2136637 FEMRNRZZFXQOSF-ZDUSSCGKSA-N 387.344 0.786 0 50 GCAA biogenic COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 12194297 QLGNBXCBHXTDHV-OAHLLOKOSA-N 377.441 0.326 0 50 GCAA Cc1nonc1CN(C)Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 19225167 IWMJIMGLHIMFMN-GOSISDBHSA-N 389.500 0.997 0 50 GCAA C[C@H](NC(=O)c1nn(C)cc1C(=O)N[C@H](C)c1ccn(C)n1)c1ccn(C)n1 20617604 JGXAFHSBFOUBKS-NEPJUHHUSA-N 384.444 0.869 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCN(CCO)CC3)C2=O)c1 67688665 MXKRMLGASKRSPA-HXUWFJFHSA-N 395.475 0.298 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 71775847 MAVIOMXVIPUAMT-MRXNPFEDSA-N 390.484 0.454 0 50 GCAA COCCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc(C)n[nH]1)CC2 77320548 JZOOQJCLKIYODM-UHFFFAOYSA-N 378.454 0.841 0 50 GCAA CN(C)C(=O)N1CCCn2nc(CNC(=O)c3ccc4[nH]nnc4c3)cc2C1 91575273 RUSBQSQKPAOWEP-UHFFFAOYSA-N 382.428 0.972 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N1CCOc3ccccc31)C2 95354689 YXKXSJPFISHXNT-HUUCEWRRSA-N 379.482 0.768 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC(Cn2ccnc2)CC1 95529992 HJMSLJTVTHPWRT-UHFFFAOYSA-N 388.476 0.031 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c2)CCN1 188918785 MIUUBRPVSWGEKE-HNNXBMFYSA-N 393.447 0.833 0 50 GCAA CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)C 222721852 KMIQMFHPUJUDMC-JSRQGNBESA-N 389.401 0.068 0 50 GCAA biogenic O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1ccc2nc(O)nc(O)c2c1 275367161 WRHRNMKJNLCUCQ-JTQLQIEISA-N 375.410 0.778 0 50 GCAA COc1ccc(-n2nnc(C(=O)N3CCc4c(ncn(C)c4=O)C3)c2C)cc1 330041719 DFLWDJFNBYAIGO-UHFFFAOYSA-N 380.408 0.877 0 50 GCAA CN1C(=O)CO[C@@H](C(=O)N2CCOCC3(CCCC3)C2)[C@@H]1c1cnn(C)c1 365313119 ZZJPEFQATIXDIB-DLBZAZTESA-N 376.457 0.738 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 435704294 DSRDRIBPCHOPFL-ZDUSSCGKSA-N 390.845 0.527 0 50 GCAA Cc1cc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)no1 1506419885 LEIJXUBXBJNEOC-ZDUSSCGKSA-N 381.458 0.856 0 50 GCAA CN1CC[C@]2(C(=O)NCCCOc3cccnc3)CCCN(CC(=O)O)[C@H]2C1 1857671414 RPLCWTYCYZGILD-FXAWDEMLSA-N 390.484 0.838 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCN(C)CC2)CC[C@@H]1NC(=O)c1nonc1C 1857682549 NQKXUDBJDWVRJF-JYJNAYRXSA-N 393.488 0.846 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)N3CC[C@@H](O)C3)n2)cc1OC 1857692586 LPNZLGNKGWTNNV-TZMCWYRMSA-N 389.456 0.499 0 50 GCAA CN1C(=O)CCO[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C[C@@H]21 1857697125 WINHEZPLLZVLQL-BBRMVZONSA-N 382.438 0.468 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1C 1857720032 AUJAIYRMHBEWOZ-ULQDDVLXSA-N 395.525 0.902 0 50 GCAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CC(=O)N(c3nccs3)C1)CC2 1857738243 YLDISXTURDKFAW-VIFPVBQESA-N 375.410 0.591 0 50 GCAA Cc1cc(C)c2cccnc2c1S(=O)(=O)N1CCN2CCOC[C@]2(CO)C1 1875297704 AQJJQPGVXWSRSS-LJQANCHMSA-N 391.493 0.919 0 50 GCAA CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](C)c1ncc(C(=O)O)c(O)n1 1875346143 USSCRRPERFZLGQ-MRVPVSSYSA-N 383.430 0.778 0 50 GCAA C[C@@]1(O)CCOC2(CCN(C(=O)C3(Cc4ccccc4F)CNC3)CC2)[C@H]1O 2356155533 HCSUXJZRNBMQGG-PKOBYXMFSA-N 392.471 0.851 0 50 GCAA CN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 11934854 YGDXLGFYNBXAML-LJQANCHMSA-N 381.480 0.736 0 50 GCAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14531058 NCKXTFYHIQGISR-SJORKVTESA-N 388.468 0.572 0 50 GCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3c(Cl)cccc3Cl)CN2C1=O 14541876 USCNZCYVFMQJRR-NIUIZCCNSA-N 386.235 0.572 0 50 GCAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)C3=NNC(=O)CC3)CC2)CC1 67654404 AOWFXOABBJPHHH-UHFFFAOYSA-N 377.489 0.480 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)Nc3ccc(F)cc3)nn2)CN1 67692572 DZJMDDYNIYAHCJ-CABCVRRESA-N 375.408 0.730 0 50 GCAA O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CCNCC2)C1 67921472 HKDOYXZRKLCUJT-UHFFFAOYSA-N 377.466 0.688 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCS(C)(=O)=O)C2=O)c1 67975606 SSCPQCXGYIZSGW-KRWDZBQOSA-N 388.461 0.322 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCOC3)c2)cn1 95389003 LTENIBVSMZTXGY-CYBMUJFWSA-N 378.454 0.665 0 50 GCAA CCN1CCN(CCNC(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)CC1 169768956 QECGOKWNPWFHPN-UHFFFAOYSA-N 395.467 0.452 0 50 GCAA CC[C@@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 170591126 VSTLYKOLOMFVNI-VNQPRFMTSA-N 399.465 0.922 0 50 GCAA CN(C)c1ccccc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 173213301 WOGOVRQCQOPRRF-UHFFFAOYSA-N 392.481 0.951 0 50 GCAA Cc1cccn2cc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)nc12 244605535 FAIHLUHPACFXGI-UHFFFAOYSA-N 379.486 0.337 0 50 GCAA Cn1ccnc(N2CCC[C@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)c1=O 275710084 NSCBFAZOGLXLLA-HNNXBMFYSA-N 394.439 0.084 0 50 GCAA C[C@@H]1CCCC[C@H]1OCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1 328603981 HZJUMSCGKIGRGI-BPQIPLTHSA-N 378.517 0.843 0 50 GCAA C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1N1CCOCC1 363609651 XTXHDLBLAODLSR-PBHICJAKSA-N 381.498 0.952 0 50 GCAA CC(C)[C@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 409413002 KYWVMFHEQQDBFV-STQMWFEESA-N 377.397 0.359 0 50 GCAA NCCOc1cccc(CC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 426419994 DZSYAJINOCUJEF-GOSISDBHSA-N 375.469 0.807 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2n[nH]c3c2COCC3)cc1 670440767 WNFJMSBCFDAWOW-UHFFFAOYSA-N 378.454 0.889 0 50 GCAA CN1CCN(C(=O)c2cncc(N3C[C@@H](O)[C@H](Cc4ccccn4)C3)n2)CC1 1704297150 ISUKQFGUSWDTTJ-CRAIPNDOSA-N 382.468 0.299 0 50 GCAA NS(=O)(=O)CCCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704302140 FAKGMRQFPNMUEQ-PBHICJAKSA-N 377.466 0.665 0 50 GCAA O=C(Cn1cnnn1)N1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1772707256 UJOFZWOFINMLGQ-UHFFFAOYSA-N 380.412 0.438 0 50 GCAA O=C(O)c1cncc(N2CCCN(C(=O)Cn3nc4ccccc4n3)CC2)n1 1772810527 KXIUWVMDSNNADR-UHFFFAOYSA-N 381.396 0.658 0 50 GCAA O=C(N[C@@H]1CN(C(=O)COCc2ccccc2)CC[C@H]1O)C1CCOCC1 1857670675 ACBSDBUUXGDCDG-QZTJIDSGSA-N 376.453 0.708 0 50 GCAA COCCc1noc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCN(C)C3=O)n1 1857671379 VSFVVGQJTJTBDR-CYBMUJFWSA-N 388.428 0.908 0 50 GCAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCn2cnnc2)cc1OC 1875240028 FIVYOCQHEQFVML-WMZOPIPTSA-N 376.413 0.646 0 50 GCAA CN(C)C(=O)C[C@@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1O 1875399225 SAFOBHRRNSOPLB-IAGOWNOFSA-N 383.514 0.219 0 50 GCAA COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 12439164 SRRRZYTUAYZGAG-OAHLLOKOSA-N 379.457 0.547 0 50 GCAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C3)cn1 219001379 BWOUQRJZDYZFJF-LBPRGKRZSA-N 376.438 0.800 0 50 GCAA Cc1cc2nc(C(=O)N3C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C3)cc(C)n2n1 220113800 SEEHANPDTVDXRC-HIFRSBDPSA-N 379.486 0.992 0 50 GCAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)[C@H](C)O 245329462 ZFRKCKWJPNCPAA-TUKIKUTGSA-N 396.440 0.867 0 50 GCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@](O)(c2nc(C3CC3)no2)C1 275285555 KZGKEDFHFXBFIU-CQSZACIVSA-N 385.833 0.860 0 50 GCAA O=C(N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)C1(Sc2ccccc2)CC1 1320297922 AZAMXQPIPATQNJ-UHFFFAOYSA-N 393.494 0.963 0 50 GCAA Nc1n[nH]c(SCC(=O)N2CCCN(C(=O)c3cncc(F)c3)CC2)n1 1529110067 KROXWPYTDWJZBA-UHFFFAOYSA-N 379.421 0.388 0 50 GCAA CCCn1ncc(CN2CCN(C(=O)C3CC3)[C@H]3CS(=O)(=O)C[C@H]32)c1C 1565511355 QRPZINRRHXUHMO-SJORKVTESA-N 380.514 0.821 0 50 GCAA Cc1nc2sccn2c1CN1CC[C@]2(O)CCN(S(C)(=O)=O)C[C@@H]2C1 1565511589 DBBNASJLNIHRDW-BBRMVZONSA-N 384.527 0.923 0 50 GCAA CN(C)c1cncc(-c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)n1 1565529354 OEKOTZHMSUUCEF-GJZGRUSLSA-N 376.438 0.097 0 50 GCAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(C(=O)[C@H]4C[C@H](O)C4)CC(=O)N23)cc1 1857690874 QCLFMKCHGZXKEP-BKQFBDTOSA-N 387.436 0.052 0 50 GCAA O=S1(=O)CCCN1CCNS(=O)(=O)N1CCC(c2ccccc2)CC1 2325775786 SRWOHPINYVJFAI-UHFFFAOYSA-N 387.527 0.736 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1NC(=O)c1ccnc(O)c1 2356138640 PRDCLAIJTNGIRM-ARFHVFGLSA-N 376.457 0.475 0 50 GCAA Cc1nc(C)c(C(=O)N2C[C@H]3[C@H](C2)[C@H](O)[C@@H](O)[C@H](C)[C@@H]3C(=O)NC(C)C)s1 2356169109 KXYHQZNDWQUPKA-AHWPKJFASA-N 395.525 0.960 0 50 GCAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(CCN2CCCCC2)nn1 11662560 XCOLHPYMRQPGCV-HNNXBMFYSA-N 379.461 0.558 0 50 GCAA CCOc1cc([C@H]2N[C@@](CC)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)ccc1O 65405664 JCPDMLKSARPYRT-DEXNDLTESA-N 376.409 0.988 0 50 GCAA CN1CCC(Cc2nc(Cn3ccnc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 91595847 ZAERTVDKZPFBQT-OAHLLOKOSA-N 378.502 0.767 0 50 GCAA CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 170624324 NUVKYDLSSXEBKD-JTQLQIEISA-N 393.831 0.948 0 50 GCAA O=C(O)[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 225486667 NKJLOMHSOXEHKC-AWEZNQCLSA-N 383.426 0.788 0 50 GCAA CCOC(=O)c1cnc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)n1C 225700294 DDEHSWBNNVYKKY-UHFFFAOYSA-N 391.409 0.900 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)c2)CCN1 276192076 CRATWEBJGIZKBG-MAUKXSAKSA-N 384.436 0.232 0 50 GCAA CC(C)(C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1)S(=O)(=O)C1CC1 329648582 BQDGWFLNLQUTBS-GFCCVEGCSA-N 377.470 1.098 0 50 GCAA CCOC1CC(CNC(=O)N2CCO[C@]3(CCOC3)C2)(N2CCOCC2)C1 333340253 OTFMYBMRFHNOHM-NKELODKYSA-N 383.489 0.457 0 50 GCAA CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1 489693973 GLYLSWRRAMANSD-CQSZACIVSA-N 387.889 0.795 0 50 GCAA CC(C)NC(=O)CN(C)C1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)CC1 952845664 ASGORFPPAQHLKR-IBGZPJMESA-N 394.560 0.935 0 50 GCAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCN(CCCO)CC1 1529195050 DUIMEBXQLNYFIJ-MOPGFXCFSA-N 388.468 0.039 0 50 GCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C2 1704302746 AYCPJGKWMSAMTN-BBRMVZONSA-N 385.461 0.381 0 50 GCAA O=C(CCC(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1)Nc1nncs1 1772710309 PONKEIGOUQSMFI-GFCCVEGCSA-N 381.458 0.354 0 50 GCAA CN1C[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4occ5c4CCC5)[C@@H]3C2)NC1=O 1775996606 ACIFDNZBQLIGMV-UHOFOFEASA-N 386.452 0.855 0 50 GCAA CNS(=O)(=O)c1cc(C(=O)N2CCc3c[nH]c(=N)nc3C2)ccc1Cl 1875268428 PTMRPXALCPLALL-UHFFFAOYSA-N 381.845 0.649 0 50 GCAA CS(=O)(=O)CCN1CC[C@@H]2CN(C(=O)c3cnc4[nH]c(O)nc4c3)C[C@@H]2C1 1875323851 BOWNWADLVIIXEH-YPMHNXCESA-N 393.469 0.102 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCC(Cn3cncn3)CC2)ncn1 1875398440 QHBDWCDBYUSMSC-IAGOWNOFSA-N 386.504 0.486 0 50 GCAA CCOc1ccc(CC(=O)N[C@@H]2C[C@H](C(=O)NCC(=O)OC)C[C@H]2O)cc1 2100542693 FENZCVGAYNDLDV-NUEKZKHPSA-N 378.425 0.173 0 50 GCAA NCCCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325899074 MJKUZKBHIDIMAD-AWEZNQCLSA-N 386.408 0.545 0 50 GCAA C[C@H]1CCN(C(=O)[C@@H]2CO[C@H](CN=c3ccc4nnnn4[nH]3)C2)CC1(F)F 2332237872 PGBPEPZLBCVDPE-SRVKXCTJSA-N 381.387 0.262 0 50 GCAA CN=c1nc(C(=O)N2CCCC2)c2c([nH]1)CCN(Cc1ccn3ncnc3c1)C2 2356165481 BCZNZAFMIKENOO-UHFFFAOYSA-N 392.467 0.777 0 50 GCAA NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 2841525 QKUJSQRMKYMCIK-FQEVSTJZSA-N 382.372 0.750 0 50 GCAA CCN1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)CC1 14399186 ZDASQVNIJJPQHP-UHFFFAOYSA-N 397.497 0.778 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1 82107708 ZCZUUJHJVVQGPR-UHFFFAOYSA-N 377.397 0.962 0 50 GCAA Cc1cccc(C(=O)N2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 91288869 HPLZTJXUSJRHNG-CVEARBPZSA-N 380.466 0.702 0 50 GCAA CC(C)=CCN1CC2(CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)CC1=O 95365561 NQAGEVMEJUULPG-UHFFFAOYSA-N 388.468 0.652 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CC1)OCCC[C@@H]2O 95373045 VISRXGBQQAVADI-INIZCTEOSA-N 375.473 0.131 0 50 GCAA O=C(C[C@@H]1COCCN1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95521710 SHSCZLXSFQZVTQ-OAHLLOKOSA-N 387.484 0.401 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCC[C@@H]2CCCCO2)c1)N1CCNCC1 97694706 UXLRMQMPKSDSEF-INIZCTEOSA-N 381.498 0.970 0 50 GCAA CNS(=O)(=O)c1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)ccc1OC 170601803 KDOIJTFMDZMIFN-CHWSQXEVSA-N 385.486 0.130 0 50 GCAA COC(=O)c1cn(CCS(=O)(=O)NC2CCCCC2)cc2c(=O)[nH]nc1-2 263587943 NGJCHDMBXLCQIL-UHFFFAOYSA-N 382.442 0.715 0 50 GCAA CN(C)C(=O)CN1CCCN(S(=O)(=O)CCOc2ccccc2F)CC1 952967209 IWWMJCOVUOXNLY-UHFFFAOYSA-N 387.477 0.630 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(c3nc(C)cnc3C)CC2)C1 1506411007 WCHOZXSDAYIGDF-INIZCTEOSA-N 383.518 0.819 0 50 GCAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CNC[C@@H]1NC2=O 1704322475 IINNCYJGIPNHAI-LPHOPBHVSA-N 397.431 0.853 0 50 GCAA CN(C)C[C@]12CN(C(=O)C3CCOCC3)C[C@@H]1CN(c1nc(CO)cs1)C2 1772809980 BOYXMMNLZDPTEG-DNVCBOLYSA-N 394.541 0.888 0 50 GCAA CCOC(=O)N1CCN(C(=O)Cn2c(Cc3ccc(F)cc3)noc2=O)CC1 1875316181 ZBPGAKWVDSMJIF-UHFFFAOYSA-N 392.387 0.867 0 50 GCAA Cn1c(O)ncc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1=O 2356145292 JZVXRJKZVUVHDH-CRAIPNDOSA-N 394.431 0.951 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3cn(C)cn3)C1)CC2 2356160536 WXGLLWBMULLFOE-QGZVFWFLSA-N 376.486 0.945 0 50 GCAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CN2CCCC2=O)CC1 12298760 FPVKMSTUWDOICY-SFHVURJKSA-N 381.517 0.975 0 50 GCAA COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 12439163 SRRRZYTUAYZGAG-HNNXBMFYSA-N 379.457 0.547 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3cccc(I)c3C2=O)C(=O)N1 28862595 VXDTWULFGNROJV-MRVPVSSYSA-N 384.129 0.692 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)CC1 67612659 HLFPDCXLRKIEAC-UHFFFAOYSA-N 391.497 0.639 0 50 GCAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2c(ncnc2N2CCOCC2)C1 71479512 RERWKNUPOMANQB-KRWDZBQOSA-N 383.452 0.474 0 50 GCAA CC(C)=CCN1CCN(C(=O)CCc2nncn2C)[C@H]2CS(=O)(=O)C[C@H]21 72418138 JNHXNOGFCPIKSO-CABCVRRESA-N 381.502 0.024 0 50 GCAA COCC(=O)N1CCN(C)C[C@H]1C(=O)N(C)Cc1nc(-c2ccccc2)no1 72478632 TYMSGYRFMOJOJD-HNNXBMFYSA-N 387.440 0.484 0 50 GCAA O=C(CCn1cnnn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 77506039 DJUCYISXRZMFCY-JKSUJKDBSA-N 386.460 0.190 0 50 GCAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(S(N)(=O)=O)ccc1F)CC2 91829392 OCSNTQKLFWNNPA-CABCVRRESA-N 386.445 0.865 0 50 GCAA CS(=O)(=O)CCN1CCN(C(=O)c2cnc(-c3ccncc3)nc2)CC1 95368391 XYCFZUSLAJMEJE-UHFFFAOYSA-N 375.454 0.341 0 50 GCAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)CCn2nnnc2C)CC1 96148612 LUGPFLFNBOBJCZ-UHFFFAOYSA-N 375.481 0.451 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1C(=O)c1ccc(C)cc1F 96152171 RPTHUHJVAJJLOY-CJNGLKHVSA-N 379.432 0.694 0 50 GCAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)c1C 252552907 VFJBTJRPIJEHEB-GASCZTMLSA-N 387.488 0.955 0 50 GCAA CCOc1ccc(C[C@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)O)cc1 299750556 NWGGNIXRZPLWFK-GDBMZVCRSA-N 398.481 0.869 0 50 GCAA C[C@H]1CN(C(=O)CN2CCC[C@@H](CNC(=O)C3CCOCC3)C2)C[C@@H](C)O1 952972432 OXGPCHDWSLITEL-BBWFWOEESA-N 381.517 0.877 0 50 GCAA CCc1nccn1CCC(=O)N1CC[C@]2(O)CCN(C(=O)N(C)C)C[C@@H]2C1 1073296071 ZSPWZJYXICESOS-KXBFYZLASA-N 377.489 0.803 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)CC2)C1 1506408056 VDQFREXNTNSGAI-LBPRGKRZSA-N 387.424 0.686 0 50 GCAA CS(=O)(=O)NCCC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704346979 DUBVOAGXUANRKT-RHSMWYFYSA-N 377.466 0.536 0 50 GCAA Cc1cccc(CCN2C[C@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(CO)C2)n1 1772701081 MKKRFBWYSFDKJZ-GHTZIAJQSA-N 388.512 0.017 0 50 GCAA CCn1cc(CN2C[C@H]3CN(C(=O)c4cc(=O)cc(C)o4)C[C@]3(CO)C2)cn1 1772805489 MBNCWHVAPQZFMT-JXFKEZNVSA-N 386.452 0.731 0 50 GCAA CNC(=O)NCC(=O)N1CCCCC[C@@H](NC(=O)CCc2ccccn2)C1 1775992195 QEMNNUNGOKJXQN-MRXNPFEDSA-N 375.473 0.831 0 50 GCAA CN(C)CCN(C)c1nc(N(C)C)nc2c1CCC21CCN(C(=O)CO)CC1 1857689632 IGNOQUYLPXCHQL-UHFFFAOYSA-N 390.532 0.339 0 50 GCAA O=C(CO)N1CCC2(CC1)OCCc1cc(C(=O)N3CCOCC3)sc12 1857704373 PBESNFILTAVPBW-UHFFFAOYSA-N 380.466 0.603 0 50 GCAA O=C(CNC1CC1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857714632 ZSVCHYBXTJYEDI-FQEVSTJZSA-N 387.484 0.577 0 50 GCAA COCc1nnc(N2C[C@H](C(=O)NCc3cc(O)nc(C)n3)CC2=O)s1 1857733594 QHGTYNIDTUPSJN-SECBINFHSA-N 378.414 0.158 0 50 GCAA NC(=O)C12CC(CNC(=O)CCn3cnc4ccccc43)(C1)OC21CCNCC1 1875393375 LVYFLKHABJCYAL-UHFFFAOYSA-N 397.479 0.699 0 50 GCAA CC[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)CCC2CCC2)CCO1 2332237660 GKVSTBAIESGGOQ-ARFHVFGLSA-N 386.514 0.734 0 50 GCAA COc1ccc(N2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)cn1 2356165787 OMSYUXVKEKVZTL-UXHICEINSA-N 396.447 0.995 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1N1CCOCC1 4842055 YKHFTVGMUASMLP-ZIAGYGMSSA-N 397.497 0.681 0 50 GCAA CN(C(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 13548643 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CCc1ncc(CN2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)cn1 253606328 HSNKIFIXKJRZEZ-SJORKVTESA-N 375.473 0.766 0 50 GCAA Cn1nccc1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 827928421 UGGCJBWIPXXIME-HNNXBMFYSA-N 385.468 0.720 0 50 GCAA O=C(CCCn1cnnn1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005753 OQMDXNTZJVTRKD-AJPWXKBRSA-N 381.484 0.137 0 50 GCAA O=C1CO[C@H](C(=O)NCc2nnc3n2CCC3)[C@@H](c2ccccc2Cl)N1 1529152257 RFQDUDFZIGENCI-CVEARBPZSA-N 375.816 0.750 0 50 GCAA CNC(=O)CN(C[C@]1(OC)CCOC1)C(=O)c1cc(-n2ccnn2)ccc1F 1857527282 STJOVTMUVPZYBW-GOSISDBHSA-N 391.403 0.400 0 50 GCAA COCCN1CCN(S(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)CC1=O 1875271073 KZQQUVUSQUBJQS-UHFFFAOYSA-N 382.360 0.890 0 50 GCAA COC1CCN(C(=O)[C@H]2CC[C@@H](OC)[C@H](NC(=O)c3cncc(=O)[nH]3)C2)CC1 2100482414 XRRHRJRWXCBLEB-JGGQBBKZSA-N 392.456 0.321 0 50 GCAA CC(C)=C(C)C(=O)N1C[C@@H](O)C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325878018 BWEOXTXSWCLMCE-GJZGRUSLSA-N 384.498 0.246 0 50 GCAA Cn1ncc2c(O)nc(CN3CC[C@](Cc4ccccc4)(C(=O)O)[C@H](O)C3)nc21 2356163858 UJSACQOZPIFIFI-FOIQADDNSA-N 397.435 0.949 0 50 GCAA O=C1NCCN(Cc2ccccn2)[C@@H]1CC(=O)N(CCO)Cc1cccs1 55120475 XUAYCICUPJYTFJ-QGZVFWFLSA-N 388.493 0.855 0 50 GCAA COc1ccc([C@@H]2C[C@H](C(=O)NC[C@@H]3CCCO3)N(C)S(=O)(=O)N2)cc1 72389499 VGKMOSDMXKVZKV-HRCADAONSA-N 383.470 0.570 0 50 GCAA Cn1cc(C(=O)N2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)c2ccccc21 95359247 QSDHRUPWTNDIFT-SJORKVTESA-N 377.466 0.094 0 50 GCAA Cc1cn2nc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2c(=O)[nH]1 206634934 FLOMSKFGUSERKW-UHFFFAOYSA-N 386.456 0.277 0 50 GCAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(N2CCC(O)CC2)CC1 426689228 MLDSBACUOIBVGO-INIZCTEOSA-N 375.517 0.798 0 50 GCAA COc1cccc(N2CC[C@H](NC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)c1 892743696 PXBMALRPSWRUKL-YOEHRIQHSA-N 397.497 0.729 0 50 GCAA CC(=O)N1CCC[C@H]1C(=O)N1CCCN(CCC(=O)Nc2cccnc2)CC1 1772819747 RQOYFJUCBCVRKV-SFHVURJKSA-N 387.484 0.955 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)CCO2)n1 1857724774 CAYRYKDABNPCKB-CYBMUJFWSA-N 387.400 0.686 0 50 GCAA C[C@H](C(=O)NN1CCN(Cc2ccccc2)CC1)n1cnc2c(N)ncnc21 1875327504 ZSTFXDXGVWOUEH-CQSZACIVSA-N 380.456 0.819 0 50 GCAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@H]2SC1 2783602 RCWXWLSUEJWAIA-QPUJVOFHSA-N 390.343 0.811 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCN1CCCCC1=O 12475993 XICHUIASBGEOLH-GOSISDBHSA-N 386.496 0.814 0 50 GCAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14540412 VMKSICMZKQQTNO-UHFFFAOYSA-N 390.488 0.550 0 50 GCAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 20501032 JYXOZEFHTGKSGI-KRWDZBQOSA-N 389.408 0.919 0 50 GCAA COc1cc(CC(=O)N2CCNC[C@H]2C(=O)NCc2cccnc2)cc(OC)c1 72164762 ZJDBNZRCJYETJD-IBGZPJMESA-N 398.463 0.758 0 50 GCAA CSc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)N2CCNC(=O)C2)cc1 72408372 DUZROCMTTUGVBY-HNNXBMFYSA-N 391.493 0.527 0 50 GCAA CCC(=O)N1CCN(C(=O)CCn2cc(Cl)cn2)[C@H]2CS(=O)(=O)C[C@H]21 72427835 QHKVHZZYPBQJPD-OLZOCXBDSA-N 388.877 0.173 0 50 GCAA CCOC1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 77287564 GCUWWVQTJVSEGX-LSDHHAIUSA-N 381.502 0.057 0 50 GCAA Cc1nc(C)c(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 77321309 MEXDGFVHBLTBER-QWHCGFSZSA-N 377.426 0.209 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccncc1)CC2 91656307 HUFWDXHJXWOAHY-UHFFFAOYSA-N 383.452 0.896 0 50 GCAA COc1ccc(-c2cn3c4c(=O)[nH]c(=O)n(C)c4nc3n2CCN(C)C)cc1 170624309 NZLHZEWRRCJGHO-UHFFFAOYSA-N 382.424 0.913 0 50 GCAA COC(=O)[C@@]1(C)N[C@@H](c2cc3ccccc3n(C)c2=O)[C@H]2C(=O)N(C)C(=O)[C@H]21 210338827 RYIFDURQAKKOMK-KZDUYQQSSA-N 383.404 0.346 0 50 GCAA COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 225442050 ZBLRSPAXBQCGAL-KDOFPFPSSA-N 398.481 0.631 0 50 GCAA O=C(C[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)O)c1cccs1 274986044 MCPWJTPJBWYSIC-ZYHUDNBSSA-N 399.450 0.911 0 50 GCAA CN(CC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1)Cc1ccccc1 328633965 SYADIJYPWWEBFP-QGZVFWFLSA-N 376.482 0.850 0 50 GCAA CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@@H](CN)c2ccc3ccccc3c2)[nH]1 420242110 IEKLHVGLIWDICW-KRWDZBQOSA-N 381.484 0.627 0 50 GCAA O=C(Cn1ccnc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426727523 RBWXUWBBOPHYAU-KRWDZBQOSA-N 375.473 0.244 0 50 GCAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@@H]1CCN(C)C1=O 774262790 GYJHWDIRORTVBB-NSHDSACASA-N 390.845 0.648 0 50 GCAA Cc1cc(NC(=O)CN(C)CC2CCOCC2)n([C@H]2CCS(=O)(=O)C2)n1 1319773167 VQCKPVZQBBEWKI-HNNXBMFYSA-N 384.502 0.848 0 50 GCAA Cc1ccc(N2C[C@H]3CN(C(=O)c4cncn4C)C[C@@]3(CCC(=O)O)C2)nn1 1772814495 CJHXMNYQQSNHBK-IFXJQAMLSA-N 384.440 0.962 0 50 GCAA O=C(CN1CCOC1=O)N1C[C@H]2CN(C3Cc4ccccc4C3)C[C@]2(CO)C1 1772817001 ZYEITLPASAIVBC-DYESRHJHSA-N 385.464 0.359 0 50 GCAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)C2 1857666590 XAPYSIFPEIAMQZ-MRXNPFEDSA-N 381.410 0.623 0 50 GCAA NCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@H]3CCOC3)cc12 1857694480 PMNBVQQALZYUDX-LBPRGKRZSA-N 379.482 0.616 0 50 GCAA O=C(Cn1ccccc1=O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857700353 FSZSUWGGWRRFOY-ROUUACIJSA-N 381.432 0.877 0 50 GCAA Cc1[nH]nc(O)c1CC(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857700391 GPTCUWKNIZVIJW-RYUDHWBXSA-N 392.437 0.307 0 50 GCAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCc3nnc(O)n3C)CC2=O)s1 1857710082 GZNPMGNRTNZYBN-VIFPVBQESA-N 379.446 0.207 0 50 GCAA O=C(c1ccncc1)N1CCC(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)CC1 1857728893 QHWKRHMVBFKPKQ-UZLBHIALSA-N 384.436 0.494 0 50 GCAA COc1ccccc1CC(=O)N[C@@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@H]1OC 1875241709 YPFSWUXPFLDBFQ-SQWLQELKSA-N 377.441 0.139 0 50 GCAA CN1CC[C@@H](C(=O)NCc2cnc3c(c2)CN(C(=O)C2CCOCC2)CC3)C1 1875243833 ZOIWKLJKSDJOQW-QGZVFWFLSA-N 386.496 0.961 0 50 GCAA CNC(=O)c1noc(CNC(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)n1 1875251069 UTPIDGNMHJHEBD-UHFFFAOYSA-N 399.411 0.807 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCN2CCCCC2)cc1OC 2100557522 XANNBCBGMAFYDQ-MOPGFXCFSA-N 391.468 0.862 0 50 GCAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 2837620 YYPMURGPSKXMNP-UHFFFAOYSA-N 383.451 0.559 0 50 GCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 16649509 XARXWBXDXFLLIZ-ZIAGYGMSSA-N 398.481 0.966 0 50 GCAA COC(=O)c1cc2n(n1)CCCN(C(=O)Cc1nc(-c3cccnc3)n[nH]1)C2 67883968 XBSCHSMKUOYZKD-UHFFFAOYSA-N 381.396 0.825 0 50 GCAA O=C(CN1C(=O)CNC1=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 91859210 UUUAMKPEGKCFSP-UHFFFAOYSA-N 382.376 0.891 0 50 GCAA O=C([C@@H]1CNCCO1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 92098822 TVPNGVNQKFVBBB-INIZCTEOSA-N 387.484 0.401 0 50 GCAA CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCOC2)c1 95353740 OZNVFBOKFBXBPO-AWEZNQCLSA-N 383.470 0.257 0 50 GCAA CN1CCN2C[C@@H](NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C[C@H]2C1 95358511 HMNKAUTVRNABGA-HOTGVXAUSA-N 378.498 0.245 0 50 GCAA CN1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)CC1 95360689 DMOXKLTYRFENCI-UHFFFAOYSA-N 381.498 0.779 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cc(=O)n3cccc(O)c3n1)C2 95362166 BHZYLEXHZAGBGC-TZMCWYRMSA-N 378.454 0.256 0 50 GCAA Cc1cc(C(=O)N2CCC(c3nnc(Cn4cncn4)n3C)CC2)nc(C)n1 96165054 KHCILIPKQNRKQT-UHFFFAOYSA-N 381.444 0.882 0 50 GCAA CN(CCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCN(CC(F)(F)F)C1=O 170639726 WFZGVOPKFYAIRK-NSHDSACASA-N 376.379 0.946 0 50 GCAA Cc1cc(O)nc(S[C@@H](C)C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)n1 253536435 FSVXSEIYDDFGRE-JTQLQIEISA-N 377.430 0.074 0 50 GCAA COc1ccc([C@@H](CNC(=O)C(=O)N2CCCC2)N2CCOCC2)cc1OC 283351825 XJSNVZIKUOYAKT-MRXNPFEDSA-N 391.468 0.816 0 50 GCAA Cc1c(C)[n+]([O-])c([C@@H](c2ccc(O)cc2)C2C(=O)N(C)C(=O)N(C)C2=O)n1C 409415644 VJGNDVZCTIAAEO-AWEZNQCLSA-N 386.408 0.779 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3cccs3)nn2C)C[C@H]1O 1529158642 HMFVGCRMWYSXIC-SMDDNHRTSA-N 398.510 0.473 0 50 GCAA Cc1nc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCC2)[C@@H]3O)n[nH]1 1772814670 MVTWACVVNKGQBG-ZWKOTPCHSA-N 377.489 0.904 0 50 GCAA O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@@]2(CCN(c3cnccn3)C2)C1 1857671743 NRZUTEFKYPFQHF-HXUWFJFHSA-N 395.419 0.892 0 50 GCAA CC(C)[C@@H]1CN2C[C@H](NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@H]2CO1 1857723561 LAZUJDLTUIPLEC-IGCXYCKISA-N 395.481 0.908 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)NCc2nc3ncc(Br)cn3n2)C1 1875382786 RHWQDCHXMBSREL-JTQLQIEISA-N 393.245 0.928 0 50 GCAA CCn1nccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2732851 FNFBXEBCTPHRCI-AWEZNQCLSA-N 394.501 0.662 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCN(C)C(=O)C3)C2=O)c1OC 67884032 UOSCWVXOZSKULB-FQEVSTJZSA-N 391.468 0.331 0 50 GCAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N(CCO)CCO 71589629 XPXDLPNBOZDHMW-LJQANCHMSA-N 390.528 0.571 0 50 GCAA Cc1ccc(NC(=O)C[C@H]2COCCN2C(=O)CCn2cnnn2)cc1F 72463473 GDJRVZZQCFXUIO-AWEZNQCLSA-N 376.392 0.767 0 50 GCAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)C[C@@H](O)CN)CC2)n1 95371320 MRTUKAKMMPUUOM-LLVKDONJSA-N 375.395 0.977 0 50 GCAA O=C(NCCc1nccs1)c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1 215365954 UCUNQLSOVGLPET-CYBMUJFWSA-N 380.495 0.756 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1=O 275304598 NGBIOUBVFYMUAB-AWEZNQCLSA-N 391.453 0.476 0 50 GCAA O=C(CCN1CCCCCC1=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299797251 PMQCYBANFHDYRJ-HZPDHXFCSA-N 380.514 0.987 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C)(C)c2nnc(N)s2)o1 426401885 NZIQDZUQCDXXDY-LBPRGKRZSA-N 392.485 0.764 0 50 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55510274 PLNZMHQRJRCYMB-UHFFFAOYSA-N 376.457 0.094 0 50 GCAA CCO[C@H]1COC[C@@H]1NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67696902 YPVNDBSTQDXFRE-UWVGGRQHSA-N 376.456 0.174 0 50 GCAA C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 72116008 CVMVXEUBVPXVOQ-HZPDHXFCSA-N 388.578 0.989 0 50 GCAA COc1cc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1O 72463529 CBQMGTDXACGLTA-CABCVRRESA-N 382.482 0.980 0 50 GCAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)Cn4cnnn4)C3)CCC2=O)cn1 92028674 QKQNDXARURGOPR-SFHVURJKSA-N 384.444 0.203 0 50 GCAA NS(=O)(=O)c1ccsc1C(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 95384843 UZHSMALMUPZXKG-NWDGAFQWSA-N 393.494 0.927 0 50 GCAA O=C(C[C@H]1COCCN1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95521711 SHSCZLXSFQZVTQ-HNNXBMFYSA-N 387.484 0.401 0 50 GCAA CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)[nH]n1 95522323 VCJRJPRLCPQLAJ-UHFFFAOYSA-N 386.456 0.858 0 50 GCAA CCOc1ccccc1OCC(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 240871399 IKHJGFZAJGQUSL-UHFFFAOYSA-N 385.438 0.701 0 50 GCAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCOC[C@H]2C(=O)O)c1 268970128 GDQFWNDTOPJKAI-JTQLQIEISA-N 393.215 0.022 0 50 GCAA C[C@H]1CN(CCO)[C@H](C)CN1c1ncnc2c1ncn2CC1(O)CCOCC1 888097201 DQTYLVUGXXGVCZ-CABCVRRESA-N 390.488 0.259 0 50 GCAA Cc1nonc1OCCNC(=O)[C@]12COC[C@H]1CN(Cc1c(C)noc1C)C2 1857691828 FDABNPJYZCAUQO-RDTXWAMCSA-N 391.428 0.626 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Cc3cn(C)c4ccccc34)C[C@@H]12 1857701248 JIZKXIUZQWXRMP-JQHSSLGASA-N 375.494 0.906 0 50 GCAA CCO[C@H](C)C(=O)N1CCN(c2cc(C3CC3)nc(S(C)(=O)=O)n2)CC1 1875329644 BCBXDAVRJFTELS-GFCCVEGCSA-N 382.486 0.831 0 50 GCAA CN1CCN(C2(CNC(=O)NS(=O)(=O)[C@H]3COC(C)(C)C3)CCC2)CC1 1875335480 NXOTZGTTZMBTPD-CQSZACIVSA-N 388.534 0.353 0 50 GCAA O=C(N=c1nc2nccc(C3CC3)n2[nH]1)[C@H]1CC(=O)N(Cc2cccnc2)C1 1940198447 VIASITNEGMFRNI-AWEZNQCLSA-N 377.408 0.806 0 50 GCAA Cc1cc(C2CCN(S(=O)(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)on1 2325819082 QPLOCNOFIQMXLR-ZDUSSCGKSA-N 377.488 0.526 0 50 GCAA NC(=O)Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n(C[C@H]2COCCO2)n1 2356140796 PUOLAJUHDGVCPY-NSHDSACASA-N 386.387 0.918 0 50 GCAA CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 657332 ZGBHQUUZWWHPMX-UHFFFAOYSA-N 383.470 0.916 0 50 GCAA Cc1cc(C)n(-c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2C)n1 12515961 GDMRDDRSOUTBNP-UHFFFAOYSA-N 385.472 0.722 0 50 GCAA CN(c1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O 65363276 NHDFWSCAXSVNGH-UHFFFAOYSA-N 375.878 0.798 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3nccn3C)CC2)C1 71749419 NYDPWCLFTXFVGW-HNNXBMFYSA-N 377.489 0.499 0 50 GCAA NC(=O)CNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O 77429005 LQEGTYSPDXDTAR-UHFFFAOYSA-N 379.420 0.556 0 50 GCAA Cc1nn(CCO)cc1CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 82098376 OKEYZKWBCWSHKX-UHFFFAOYSA-N 375.477 0.557 0 50 GCAA CN(CCc1ncnn1-c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 91644168 LHWAZZYXJLWGIV-CQSZACIVSA-N 378.454 0.700 0 50 GCAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 95515288 MZPCBJQXNQLTPR-HNNXBMFYSA-N 375.473 0.867 0 50 GCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95519978 LMDUIEYGYASKMT-UHFFFAOYSA-N 380.408 0.723 0 50 GCAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 225669924 BXJBJYHNQZSCMC-NSHDSACASA-N 398.876 0.792 0 50 GCAA O=C(NCc1ncnn1-c1ccccc1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 286858290 BVKLLJDYWKQOND-JKSUJKDBSA-N 385.424 0.290 0 50 GCAA C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC1CCS(=O)(=O)CC1)C2=O 753589934 GQCLZEAJZBGHKB-YVEFUNNKSA-N 386.470 0.855 0 50 GCAA O=C1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)[C@H]2CCCC[C@H]2N1 828301470 IDTHMLULMLCPBL-KGLIPLIRSA-N 386.456 0.615 0 50 GCAA O=C1O[C@H]2CNC[C@H]2N1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 858615649 JDUUSOINEOGDDE-CABCVRRESA-N 387.408 0.911 0 50 GCAA Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)Cc3cc(O)nnc3O)C2)no1 952990749 YQGRESFIMLMSJP-LLVKDONJSA-N 375.385 0.395 0 50 GCAA CN1C[C@@H](NC(=O)CSc2nnc(N)s2)c2sccc2S1(=O)=O 1506422526 CCVTYSIGFRWDBP-ZCFIWIBFSA-N 391.525 0.766 0 50 GCAA C[C@@H](C(=O)N1CCCN(C(=O)c2n[nH]c(O)n2)CC1)N(C)C1CCCCC1 1529180677 HXOFVAMSOYPUSZ-ZDUSSCGKSA-N 378.477 0.838 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2CCN(CCO)CC2)OCC(=O)N1C 1529195970 UCKZOEZEMXCXDO-MOPGFXCFSA-N 375.469 0.466 0 50 GCAA O=C(c1ccc2c(c1)OCCO2)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565506999 SRZOCQNKRDWHPK-HOTGVXAUSA-N 376.453 0.861 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc2cc(F)ccc2n1C 1704306546 WJUWSGJTFLJJGO-JSGCOSHPSA-N 383.445 0.954 0 50 GCAA O=C1CCOC2(CCN(Cc3ccncc3)CC2)CN1CCN1CCOCC1 1704313032 KRDAKGJJBONEJK-UHFFFAOYSA-N 388.512 0.997 0 50 GCAA CCc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1857681250 FSRKEHLFLLPOEY-VXGBXAGGSA-N 391.428 0.254 0 50 GCAA COCc1cc(CNC(=O)[C@H]2CC(=O)N(c3nnc(COC)s3)C2)[nH]n1 1857731167 MFUZNUBMHXSVOY-VIFPVBQESA-N 380.430 0.223 0 50 GCAA Cc1cnn(CC(=O)N2CC[C@@H]([C@@H]3CCCN(C(=O)Cc4n[nH]c(C)n4)C3)C2)c1 1875322510 VNKBSAVAIXSZBH-IAGOWNOFSA-N 399.499 0.948 0 50 GCAA COc1cc(C(=O)O)c(CNC(=O)CSc2nnnn2C)c(OC)c1OC 2194502 SEEGFFQRXSQLOZ-UHFFFAOYSA-N 397.413 0.343 0 50 GCAA CN(C)C(=O)CN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C1=O 67649901 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CC(=O)N[C@H](C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)C1CCCC1 268514817 DULDVDKHAXIKFS-KSSFIOAISA-N 378.425 0.966 0 50 GCAA NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)c2cc3ccccc3s2)C1 830021262 HSEFUQHPRJPMHI-CHWSQXEVSA-N 383.495 0.966 0 50 GCAA Cc1ccoc1C(=O)NC[C@H]1CCCN(C(=O)CCn2ccc(O)nc2=O)C1 952963292 ISDQNVWVJADWBV-CQSZACIVSA-N 388.424 0.909 0 50 GCAA COc1cc(Cl)cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704297769 CFWSNJRGWDTVEO-FZMZJTMJSA-N 376.862 0.985 0 50 GCAA CC(C)c1nc(CN2CCCN(C(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CC2)no1 1772708361 GJQWLCDZNUIZJB-ZDUSSCGKSA-N 392.460 0.510 0 50 GCAA O=C(Cn1ncnn1)N1C[C@H]2CN(Cc3ccc4ccccc4n3)C[C@@]2(CO)C1 1772811638 WGWKBDWTUJKBMK-UZLBHIALSA-N 393.451 0.174 0 50 GCAA COc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@]5(CN(C)C(=O)[C@@H]35)O4)CC2)cn1 1857673729 STCICBVTHNHMPF-REGYPHIPSA-N 384.436 0.151 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1c1ccccc1 1857732873 LCMFYHZKEMLNRH-RDJZCZTQSA-N 388.468 0.847 0 50 GCAA CNCCN(CC(F)(F)F)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 1875315573 ZQQOVVHIOORBOJ-UHFFFAOYSA-N 378.376 0.523 0 50 GCAA Cc1nc(O)nc(O)c1S(=O)(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 1875347101 RCMCUAXNTGJOCC-UTUOFQBUSA-N 397.457 0.868 0 50 GCAA CC1(C)NC(=O)C[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccn3nccc3n2)CC1 2325823580 XZHUELFUBDQRQD-IHRRRGAJSA-N 398.467 0.801 0 50 GCAA Cc1ccc(C)c(S(=O)(=O)NCCN=c2[nH]c3c(s2)CCNC3=O)c1 2325862352 QXPHFXGPDDGWEY-UHFFFAOYSA-N 380.495 0.858 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCN1CCCC1=O 12578145 HOVZYPOCEFNBEI-GOSISDBHSA-N 386.496 0.814 0 50 GCAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(C)CC3)=C2)cc1 20220082 KASVHUVBMDTKSS-UHFFFAOYSA-N 378.454 0.332 0 50 GCAA O=C1CC[C@H](C(=O)N2CCOc3ccccc3C2)CN1CCN1CCOCC1 20601327 OMVYUBHRBVIAOK-SFHVURJKSA-N 387.480 0.978 0 50 GCAA Cc1cc(C)n(CCC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)c(=O)n1 55226188 QVOSCSAENBWEQU-QGZVFWFLSA-N 388.468 0.939 0 50 GCAA O=C1NCC(=O)N2CCN(C(=O)c3csc4nc(-c5ccccc5)cn34)C[C@H]12 67725177 SZWBQMHSMNGQJD-CQSZACIVSA-N 395.444 0.846 0 50 GCAA CC[C@H](Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1)C(=O)NC 67741700 XFRLUTJOKTUHHG-KRWDZBQOSA-N 389.500 0.955 0 50 GCAA O=C(C1CCC1)N1CCN(C(=O)Cc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 72428262 JKBILPREZCKDAB-JKSUJKDBSA-N 377.466 0.261 0 50 GCAA COCC(=O)N1CCCN(C(=O)c2cn(CC[C@H]3CCCCN3)nn2)CC1 77287868 DSACUIKUVNYXLF-OAHLLOKOSA-N 378.477 0.131 0 50 GCAA Cn1c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc(=O)n(C)c1=O 95382232 DHBQKDBKJSJUJZ-DLBZAZTESA-N 382.464 0.821 0 50 GCAA CCn1nc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c2ccccc21 96131375 ZVYZABQNUMABLC-CVEARBPZSA-N 399.495 0.757 0 50 GCAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCCN1CCCC1)C2 218786126 FPGJCPCPUYRKKN-QGZVFWFLSA-N 377.489 0.613 0 50 GCAA 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 247302530 FGRJPSMYCYTGIC-XIKGLHKKSA-N 397.456 0.597 0 50 GCAA CN1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)C[C@@H]1c1nccn1C 287910549 HVGAQRWSPNVZMM-CQSZACIVSA-N 392.485 0.266 0 50 GCAA CNC(=O)CN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 298962231 GWNNOJNORZGABO-HNNXBMFYSA-N 376.457 0.601 0 50 GCAA COc1ccc(S(=O)(=O)N2CC(NC(=O)c3cnc(O)cc3C)C2)cc1 369759769 JWVOMGHSVUGMGR-UHFFFAOYSA-N 377.422 0.907 0 50 GCAA CCn1cnnc1[C@H](C)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 426667516 PZCKIAJGTCNALJ-HNNXBMFYSA-N 377.493 0.699 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCCCn3nnnc32)cc1 670446907 VTQJCNUCLRLZOU-OAHLLOKOSA-N 392.485 0.734 0 50 GCAA COc1cccc(N2C[C@@H](NC(=O)N[C@H]3CCc4c(nnn4C)C3)CC2=O)c1 888093978 QUXRLGIJHYSXQU-STQMWFEESA-N 384.440 0.786 0 50 GCAA COCCc1noc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)C2)n1 952969772 GTYGTXFHXWSMPS-ZIAGYGMSSA-N 379.461 0.162 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)NCCNC(C)=O)OCC(=O)N2C2CC2)cc1 1529100006 LTVZIKIYWQQTKB-MSOLQXFVSA-N 375.425 0.378 0 50 GCAA CCOC(=O)N1CCC(N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)CC1 1565510183 LAKCUJCTSNCOGT-IRXDYDNUSA-N 376.457 0.868 0 50 GCAA CN(CC(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)Cc1ccncc1 1565516045 OOOCRAQYELXZAM-IRXDYDNUSA-N 375.498 0.722 0 50 GCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc(CN3CCCC3)o2)[C@@H](O)C1 1565527002 XNHGWTRATZNKOL-HOTGVXAUSA-N 378.473 0.129 0 50 GCAA COc1cc(CN2C[C@H]3CN(C(=O)Cn4nc(C)cc4C)C[C@]3(CO)C2)ccn1 1772810061 IFNNNLZRUDMOKT-RXVVDRJESA-N 399.495 0.856 0 50 GCAA CC(C)c1nc(CN2C[C@H]3CN(C(=O)CCn4cnnn4)C[C@@]3(CO)C2)co1 1772814243 PQJFRNAFUXSHHW-KBXCAEBGSA-N 389.460 0.128 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)CC2=O)s1 1857721028 WETIIJOKBWEQFN-VJTDZRGJSA-N 394.497 0.434 0 50 GCAA Cn1c2c(c(O)nc1=O)N[C@@]1(CC(c3ccc(C(F)(F)F)cc3)=NN1)C(=O)N2 1875321003 QJDXDACCXLXVBD-OAHLLOKOSA-N 394.313 0.963 0 50 GCAA CC[C@](C)(O)c1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355671 DPLXRVOWOQASHA-KUHUBIRLSA-N 383.408 0.646 0 50 GCAA Cn1cc(S(=O)(=O)N2CCCCNC(=O)C[C@@H]3CCCCN3CCC2)cn1 2100533521 SYYSTDGTXNKYLK-INIZCTEOSA-N 397.545 0.956 0 50 GCAA Cc1nccnc1C(=O)N1CC[C@@]2(NC(=O)CC3(O)CCOCC3)CCC[C@@H]12 2325879539 YPGIJKUJZRIPDK-QRWLVFNGSA-N 388.468 0.970 0 50 GCAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCO[C@H](c2nn[nH]n2)C1 2356163127 YUSMZMPVRDBONK-LBPRGKRZSA-N 390.469 0.626 0 50 GCAA Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)N(C)Cc3ncc(C)[nH]3)C[C@@H]2O)cc(O)n1 2356170784 OBWRMXNNGWVFQP-KKUMJFAQSA-N 387.440 0.655 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@H]2SC1 3830509 XIURVHNZVLADCM-SWLSCSKDSA-N 396.446 0.592 0 50 GCAA biogenic CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)CC1 67621449 WIOSQYZWRWNQAM-KRWDZBQOSA-N 381.498 0.673 0 50 GCAA CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H](C)N)CC3)OC2=O)CC1 77299383 WSPAEHKOIBAIMN-INIZCTEOSA-N 381.521 0.175 0 50 GCAA CC(C)CN(C)CCN1CC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)OC1=O 77379225 GSYHEBZVHYYZKM-INIZCTEOSA-N 394.516 0.914 0 50 GCAA COc1nccc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c1C#N 82157375 YCMGTMXJBWMGLF-UHFFFAOYSA-N 376.442 0.936 0 50 GCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cnc3c(C(=O)O)cnn3c1)CC2 95377896 ALZWKJXIIHACMW-ZDUSSCGKSA-N 387.396 0.325 0 50 GCAA COCC(=O)N1CCN(C(=O)CCc2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 95522259 RLSMQWHNYKIEFX-UONOGXRCSA-N 386.495 0.164 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96136333 WOYVXIHMIBEWFO-UHFFFAOYSA-N 375.335 0.791 0 50 GCAA COc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1OC 96161778 UHQBSCBWINXICE-CXAGYDPISA-N 384.454 0.482 0 50 GCAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)n(C)n1 97514305 MTMPWMNLNNUSJS-AWEZNQCLSA-N 378.454 0.726 0 50 GCAA O=C(CCc1nnc[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 176804855 JYQJBGDCNOPSAH-UHFFFAOYSA-N 389.890 0.985 0 50 GCAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2 218912907 TUOWZBYNYAKKLO-ZDUSSCGKSA-N 380.426 0.483 0 50 GCAA COC(=O)c1cn(-c2ccc(-n3cccn3)c(C(N)=O)c2)cc2c(=O)[nH]nc1-2 253410669 NORYKEUDVYDIQY-UHFFFAOYSA-N 378.348 0.737 0 50 GCAA O=C([C@@H]1CCCc2cccnc21)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 333318269 KRUKSKPXJGGFPE-CYBMUJFWSA-N 376.442 0.153 0 50 GCAA CN(C)C(=O)N1CCC(C(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)CC1 368909943 KIGVRRAUXRUFLE-INIZCTEOSA-N 380.489 0.620 0 50 GCAA O=C(NCCc1noc([C@H]2CCCO2)n1)N1CCC(N2CCOCC2)CC1 670469197 FDRZMKDFIASMNO-OAHLLOKOSA-N 379.461 0.970 0 50 GCAA CSCC[C@H](C(=O)NCc1ncn(C)n1)n1c(O)nc2ccccc2c1=O 888090308 QLOWFAVILJYBON-CYBMUJFWSA-N 388.453 0.841 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(-c2ccccc2)no1 1704337722 CGFQYQZMKBZJHC-ZFWWWQNUSA-N 379.438 0.978 0 50 GCAA CN1CC(=O)N(CC(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)C1=O 1704352557 WCKOYJAXSNWQJN-PBHICJAKSA-N 382.420 0.491 0 50 GCAA O=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1772701603 FXDFDXAYIWXEMW-PXAZEXFGSA-N 383.422 0.960 0 50 GCAA NC(=O)C1CCN(C(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)CC1 1772806733 JUPXVUAPUQTQED-CYBMUJFWSA-N 378.498 0.809 0 50 GCAA O=C(CCN1CCOCC1)N1C[C@H]2CN(C(=O)CC3CCCC3)C[C@@]2(CO)C1 1772809865 GLSVITVXZLWPCP-GHTZIAJQSA-N 393.528 0.568 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N2CC[C@]3(CNC(=O)CO3)C2)n1 1772811622 VPVCPVABWKGWKO-IBGZPJMESA-N 386.408 0.795 0 50 GCAA Cc1nccn1CCCN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O 1775961469 CMIMYRTXDYYWGE-HNNXBMFYSA-N 394.501 0.772 0 50 GCAA Cc1noc2cc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)ccc12 1875323091 WQCPGSUPKSBJNT-UHFFFAOYSA-N 386.408 0.279 0 50 GCAA CC1(C(=O)NCc2ccnc(CNC(=O)Cn3nc4ccccc4n3)c2)COC1 2100534395 GKXNAGDHZDVSAZ-UHFFFAOYSA-N 394.435 0.795 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c(-n4cnnc4)n3)C1)CC2 2356144389 VKWDPWWEPVDOJB-GOSISDBHSA-N 394.443 0.362 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCC1(N2CCOCC2)CCCC1 15071694 CAHFSBHZXLKQIZ-KRWDZBQOSA-N 394.560 0.984 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCC(N)CC3)C2=O)c1OC 67841785 MDROYSUYHNYFSG-HXUWFJFHSA-N 377.485 0.980 0 50 GCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)C2CCOCC2)C1 72423173 PRGSWMDDMPOMJZ-INIZCTEOSA-N 377.489 0.780 0 50 GCAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77355637 KFXPAKXZUKXJEW-IBGZPJMESA-N 375.473 0.442 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccccc1)CCN2c1ncccn1 95510702 WNVJYVGKSVSRCC-CABCVRRESA-N 394.478 0.153 0 50 GCAA O=C(CC1=CSC2=NCCN12)N1CCc2c(ncnc2N2CCOCC2)C1 102784905 WYQSUVQWEFRKGL-UHFFFAOYSA-N 386.481 0.848 0 50 GCAA 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 245326088 IXUGXRFAPZBLMB-NDMNPWGDSA-N 375.400 0.725 0 50 GCAA CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 299036228 VWYKDSSWMIXVTR-INIZCTEOSA-N 390.484 0.943 0 50 GCAA CCN1CCC(CC(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 299759916 OTQHKZMQHHWHBF-UHFFFAOYSA-N 383.518 0.397 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1=O 328612512 OWQNFNIBDGAGLU-AWEZNQCLSA-N 376.438 0.829 0 50 GCAA CC(C)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 332762398 WGBFDVIWJQJQKV-DOTOQJQBSA-N 394.493 0.947 0 50 GCAA O=C(CCN1CCOCC1)N1C[C@@H]2CN(C(=O)CC3CCCC3)C[C@]2(CO)C1 1772809867 GLSVITVXZLWPCP-NQIIRXRSSA-N 393.528 0.568 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)NC1 1772814016 FPEOHDAZSINFCO-UHFFFAOYSA-N 383.452 0.415 0 50 GCAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-c3cnc[nH]3)cc2)NC(=O)NC1=O 1775985518 GKKXQOIBIPYYSK-GOSISDBHSA-N 379.380 0.275 0 50 GCAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc(Cn5cnnn5)cc4)[C@@H]2CC(=O)N13 1857709951 AAGXKYLMCHSSQJ-QKLQHJQFSA-N 396.451 0.919 0 50 GCAA C=CC(=O)N(CC)CC(=O)N(CC(=O)NC)C[C@H](C)N1C[C@H](C)O[C@H](C)C1 1875386880 BTGPVCQQDFPVPR-HRCADAONSA-N 382.505 0.093 0 50 GCAA CN(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[C@@H]1OCCc2ccsc21 2332237987 SXILSIIAVKDJSS-UPJWGTAASA-N 386.495 0.370 0 50 GCAA NC(=O)c1ccc2[nH]c(CN3CCC[C@]34CCCN(CCO)C4=O)cc(=O)c2c1 2356149205 PFDQJAFCIXIALD-NRFANRHFSA-N 398.463 0.576 0 50 GCAA CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1060556 KFMBJZZCUQRJEB-UHFFFAOYSA-N 398.423 0.211 0 50 GCAA CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCn2ccc(=O)[nH]c2=O)s1 23478438 AXFIHNSJELIYNQ-LLVKDONJSA-N 376.438 0.712 0 50 GCAA COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)N1CCS(=O)(=O)CC1 71278938 XSIJUJUXWCLDQY-OAHLLOKOSA-N 379.438 0.580 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]nnc3c1)C2 95388401 UWNIZKBKNSXPFD-WCQYABFASA-N 378.458 0.301 0 50 GCAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 97515081 QQOMZOJSMJVHFD-LSDHHAIUSA-N 389.481 0.998 0 50 GCAA Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)no1 239173732 OOCSVFGDGWZRIX-GQYKBVJTSA-N 385.376 0.518 0 50 GCAA Cc1ccc(NC(=O)NC[C@H]2CCCN([C@H]3CS(=O)(=O)C[C@H]3O)C2)cc1 242302142 YPVYBFLEBGMAGZ-HYVNUMGLSA-N 381.498 0.986 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(C(=O)c3cnn4ccccc34)C[C@H]2C1 247487610 AJUXBHXSDGXTIN-GUYCJALGSA-N 378.454 0.193 0 50 GCAA CCn1nc(C)c(S(=O)(=O)N[C@H]2CCCN(c3nccnc3O)C2)c1C 278571778 CVAYSIPRILTZIT-ZDUSSCGKSA-N 380.474 0.963 0 50 GCAA CC(=O)NCC(=O)N1C[C@H]2CN(Cc3cc(-c4cccnc4)no3)C[C@@]2(CO)C1 1772710371 QOBOYXQGEFGRRG-UZLBHIALSA-N 399.451 0.125 0 50 GCAA CN1CC[C@]2(C(=O)NCCCO)CCCN(C(=O)CCc3cccnc3)[C@H]2C1 1775978626 GIKBIEHUKGTIGP-GHTZIAJQSA-N 388.512 0.826 0 50 GCAA COc1ccccc1CN1C[C@@H]2COC[C@]2(C(=O)NCCc2nc(=N)[nH][nH]2)C1 1857689992 RDYXKUQBOHHODD-AUUYWEPGSA-N 386.456 0.033 0 50 GCAA COc1ccc(NC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1OC 1875249125 JJTGPVRIPXDSJQ-WCQYABFASA-N 387.458 0.732 0 50 GCAA CCN1CCN(CC)CCN(C(=O)NCc2nnc3ccc(OC)nn23)CC1 2325764538 PRCIFNNKGWRSCT-UHFFFAOYSA-N 390.492 0.302 0 50 GCAA CC(C)C(=O)NCCn1cc([C@@H](C)NC(=O)c2cc(O)nc(N(C)C)n2)nn1 2325826161 RCNVAMMIMHSGED-LLVKDONJSA-N 390.448 0.103 0 50 GCAA NC[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CC1 2325896793 HBQRPADCVKXNSX-NUTKFTJISA-N 398.463 0.695 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[C@H]1N=c1[nH]nc(C)o1 2356168866 FKYUQXMSPFFHJX-ARFHVFGLSA-N 393.488 0.900 0 50 GCAA COc1ccccc1-n1c(C)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12 13815351 ZREFFCLKRNZERX-UHFFFAOYSA-N 383.408 0.838 0 50 GCAA CCc1nnc(CNC(=O)C[C@H]2COCCN2C(=O)c2cc(C)on2)s1 72168108 ZXQZAELTHNDKCA-NSHDSACASA-N 379.442 0.944 0 50 GCAA O=C(NC[C@H]1COCCO1)c1ccc(CN2CCC3(CCO3)CC2)[nH]c1=O 77426189 FSQKIFDBNWCEEV-HNNXBMFYSA-N 377.441 0.275 0 50 GCAA O=C(CCn1cnnn1)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 82108290 GAJGHDMKFXFJGA-LJQANCHMSA-N 383.456 0.890 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91746199 BFHDTWBWIMBUMV-ZIAGYGMSSA-N 397.497 0.119 0 50 GCAA O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 229656766 WAXMABDOCGPCDE-OLZOCXBDSA-N 385.511 0.934 0 50 GCAA CCc1nc(CCNC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)no1 584899614 YGPNEWLOFHEQEL-GOSISDBHSA-N 379.461 0.581 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)NC[C@@H]3C2)(c2ccccc2)CC1 847554259 YPJZCSZBHFRTJQ-QGZVFWFLSA-N 382.464 0.969 0 50 GCAA Cc1ccc(C)c([C@@H](C(=O)O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 1506423555 GCLQLGNIRXOWPZ-KRWDZBQOSA-N 397.497 0.624 0 50 GCAA CN(C)S(=O)(=O)CCCN1CCCN(C(=O)CN2CCCCCC2)CC1 1529172393 KZRQFSBQFFPKSS-UHFFFAOYSA-N 388.578 0.678 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1 1704300081 UARYHBULGUFBDB-QAPCUYQASA-N 396.465 0.673 0 50 GCAA Cc1cccc(CCN2C[C@@H]3CN(C(=O)CN4CCOCC4)C[C@]3(CO)C2)n1 1772701092 MKKRFBWYSFDKJZ-NQIIRXRSSA-N 388.512 0.017 0 50 GCAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2CN(Cc3nccn3C)C[C@@]2(CO)C1 1772811017 QZFKEKJSSSUFRT-JXFKEZNVSA-N 387.484 0.910 0 50 GCAA CCCCS(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1857694401 ALYODVUHSIDYCT-HWWDLCQESA-N 381.498 0.805 0 50 GCAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@H]2CN(Cc3ncc[nH]3)C[C@@]2(CO)C1 1857704070 CIKJFNGFWFRHMJ-VFNWGFHPSA-N 398.511 0.897 0 50 GCAA CN(C(=O)C[C@H]1CCC(=O)NC1)C1CCN(c2ncnc3c2ncn3C)CC1 1875334025 VKMLJTWHGNENGE-CYBMUJFWSA-N 385.472 0.707 0 50 GCAA C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCN1C(=O)c1cnn(C)c1 2325751498 ZCXQPEPEFSDHHE-RDJZCZTQSA-N 397.483 0.950 0 50 GCAA O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 2325869473 PMDMFQHUXDZQLC-AWEZNQCLSA-N 379.424 0.947 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O)c1ccc2nccnc2c1 2356151187 WHOVBCAHKBFCOB-BMGDILEWSA-N 384.436 0.748 0 50 GCAA Nc1nc(SCC(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n[nH]1 65398653 RZAKCVSVSLIJCJ-WDEREUQCSA-N 377.426 0.585 0 50 GCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCN(CC)CC2)[C@H]3C1=O 77379398 HETBPMMBQLMSNW-BOSXTWCSSA-N 377.485 0.359 0 50 GCAA Cn1cnnc1SCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 95389566 YQWPGONQIHALQB-QWHCGFSZSA-N 387.469 0.460 0 50 GCAA Cc1cc(C)n2c(C(=O)N3CCC(c4nccn4CC(N)=O)CC3)nnc2n1 96148628 WHQPXWUUHUZELV-UHFFFAOYSA-N 382.428 0.443 0 50 GCAA Nc1c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)[nH]c(=O)[nH]c1=O 174681943 HRXGDFNWCOGDJL-UHFFFAOYSA-N 391.859 0.941 0 50 GCAA CCOc1ccc(OC)cc1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 274781545 KZBYJNREDFWYLW-UHFFFAOYSA-N 389.416 0.457 0 50 GCAA N=C(O)c1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 328594070 NNQTVWJJNRJQGN-UHFFFAOYSA-N 397.434 0.953 0 50 GCAA Cc1cccc(OCCN2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)c1 328603375 FYZCLBGHXMPSMM-INIZCTEOSA-N 386.470 0.421 0 50 GCAA CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@@H]2C1 408026893 HMDNDKUBDPQJAH-CVEARBPZSA-N 388.511 0.325 0 50 GCAA CC(C)n1cnnc1[C@H](C)NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 534645999 HLSDWXDNMRDZAO-LBPRGKRZSA-N 377.449 0.988 0 50 GCAA O=C1C[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)CN1Cc1cccnc1 827763045 DFJQGBPPRIPGDQ-QGZVFWFLSA-N 380.452 0.959 0 50 GCAA O=C1CCCN1CC(=O)N1CCOC2(CCN(CCc3ncc[nH]3)CC2)C1 1506419253 XZFBORJGLWNYCV-UHFFFAOYSA-N 375.473 0.268 0 50 GCAA CN1CC[C@H](NC(=O)N2CCN(S(N)(=O)=O)CC2)[C@H](Cc2ccccc2)C1 1616163829 QZENJFXUOWEHCC-SJORKVTESA-N 395.529 0.080 0 50 GCAA NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C(F)(F)F)c(O)c1)C2 1857528202 OVSAYBYYZNTHHE-SNVBAGLBSA-N 392.355 0.526 0 50 GCAA CCN(C)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1 1875246851 BYLQHZSCEXCESD-NUEKZKHPSA-N 397.497 0.430 0 50 GCAA COC(=O)C1(C)CN(c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)C1 1875268998 MKYYGDVQRJJOCN-CHWSQXEVSA-N 375.429 0.471 0 50 GCAA CC(=O)NCC(=O)N[C@@H](C)C1(O)CN(C(=O)c2ccc3ncsc3c2)C1 1875345948 NMXSLIGZVUVKBV-JTQLQIEISA-N 376.438 0.124 0 50 GCAA O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 2100537755 UFZGDUGDNHOZIX-YOEHRIQHSA-N 396.490 0.987 0 50 GCAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2853901 XMUKJZJDBFMXOG-LLVKDONJSA-N 383.451 0.640 0 50 GCAA O=C1N[C@H](CO)C(=O)N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]12 14534497 QWUGKOLXCIVAQH-GDBMZVCRSA-N 389.843 0.029 0 50 GCAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3cccs3)C[C@H]12 14748652 FFPSGWKPTOOEMD-HUUCEWRRSA-N 385.445 0.848 0 50 GCAA biogenic COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 20451575 DPEXTUBATFGRLR-KRWDZBQOSA-N 379.457 0.547 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCNC(=O)C1(C)C)CO2 71758749 ZYMWIAVXTIPXFK-CQSZACIVSA-N 388.468 0.713 0 50 GCAA CNC(=O)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72156695 BJNORMZVFGJHPM-ZDUSSCGKSA-N 386.374 0.258 0 50 GCAA Nc1nc(SCC(=O)N2C[C@@H]3CCN(C(=O)N4CCCCC4)[C@@H]3C2)n[nH]1 82134221 CTOCXJAMVIUXCX-NWDGAFQWSA-N 379.490 0.618 0 50 GCAA C[C@H](Cc1ccccn1)NC(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1 95390205 ORJMKIDKOZWJTE-CYBMUJFWSA-N 375.450 0.808 0 50 GCAA O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)NCC(=O)N2CCCC2)c1 95498416 JHTLKKSDXJKBPM-AWEZNQCLSA-N 381.454 0.106 0 50 GCAA CCCc1cc(C(=O)N2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)O)C2)n(C)n1 96152234 JARICWZHGPVPMV-SJCJKPOMSA-N 398.485 0.181 0 50 GCAA COCCNS(=O)(=O)c1cccc(C(=O)NCc2noc(C3CC3)n2)c1 215707713 WTEYOMYPVJOPJE-UHFFFAOYSA-N 380.426 0.802 0 50 GCAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 216060765 XWCWONJXQKMNLH-CYBMUJFWSA-N 376.438 0.721 0 50 GCAA COCCn1ccc2c(OCC(=O)NCCS(=O)(=O)N(C)C)cccc21 263588822 YRYGMJDZYLTTHT-UHFFFAOYSA-N 383.470 0.674 0 50 GCAA COc1cc(CNC(=O)N2CCCN([C@H]3COC[C@@H]3O)CC2)cc(OC)c1 426589994 OSOKJNMXVOZDGP-ROUUACIJSA-N 379.457 0.681 0 50 GCAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N1CCC[C@H](CO)C1 534654292 SEYKBIWENJFKBH-AWEZNQCLSA-N 375.473 0.939 0 50 GCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1nc(C)c(C(C)=O)c1C)C2 1565514852 MUFURIAQBWJAOC-CVEARBPZSA-N 376.457 0.798 0 50 GCAA Cn1nc(C(F)(F)F)nc1-n1nc(CC(N)=O)nc1[C@@H]1CCn2nccc2C1 1857677776 CTLZYZXVLYDVOC-MRVPVSSYSA-N 395.349 0.369 0 50 GCAA Cc1cnc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NCc3cnn(C)c3)C2)cn1 1857683374 RIWUFRBGVZBTPZ-OXJNMPFZSA-N 397.483 0.562 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)n1 1857715390 PDFLYCURVXVSET-HNNXBMFYSA-N 384.400 0.114 0 50 GCAA O=C(Cn1cncn1)N1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3F)[C@H]2C1 1875309298 FZJKSALYXOKKLO-CJNGLKHVSA-N 375.379 0.858 0 50 GCAA COC[C@@H](Oc1cc(F)cc(F)c1)C(=O)N[C@@H]1COC[C@H]1N1CCOCC1 1875405895 QYXKAMLSEWFVNO-BRWVUGGUSA-N 386.395 0.574 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2C[C@H](c3ccccc3)[C@H]2CO)ncn1 2325789401 NHWRTMDIRYUEHI-NCXUSEDFSA-N 383.496 0.943 0 50 GCAA CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)O)C(C)C 1578625 ZNGPROMGGGFOAA-HRCADAONSA-N 379.457 0.628 0 50 GCAA Cc1nccn1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 12315616 MKIWIMOCQLXWGD-INIZCTEOSA-N 391.422 0.977 0 50 GCAA c1cncc(CN2CCN(c3nc4nonc4nc3N3CCOCC3)CC2)c1 67849908 AVAOQZNYFVMUMQ-UHFFFAOYSA-N 382.428 0.567 0 50 GCAA Cc1ccncc1C(=O)N1CCN(Cc2[nH]cnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 72421202 AIAIYOKMEQHYQT-SJORKVTESA-N 389.481 0.545 0 50 GCAA Cc1nc(CN(C)Cc2cc3n(n2)CCN(C(=O)c2ncccc2O)C3)no1 72476515 XIEPXEXGKSKUHJ-UHFFFAOYSA-N 383.412 0.963 0 50 GCAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC4(CC2)CN(C)C(=O)O4)[C@@H]3C1=O 77535138 VVMBEGGWCZOCOH-CJXDPKRBSA-N 389.452 0.620 0 50 GCAA O=C(NCCn1ccc2ccccc21)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 91819576 ZVLILZJRGRABHP-MSOLQXFVSA-N 384.480 0.842 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cc3cn4ccsc4n3)cc2C1 91849312 RZBQMOQTCHTMSB-UHFFFAOYSA-N 387.469 0.948 0 50 GCAA COc1ccc(F)c(F)c1C(=O)N1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 95380000 BZQDXAJMJUNCNV-ZIAGYGMSSA-N 383.439 0.901 0 50 GCAA Cn1cnc(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)c1 223601937 MFPNJEHVYMIKMI-ZIAGYGMSSA-N 380.426 0.034 0 50 GCAA COc1cccc(C(=O)N2CCC(C(=O)N3CC[C@](C)(O)[C@H](O)C3)CC2)c1 248145096 SBLLZSQAMJGQHX-XLIONFOSSA-N 376.453 0.892 0 50 GCAA COc1ccccc1-c1noc(CCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)n1 426545380 RXZXCAKRUKGHRJ-GFCCVEGCSA-N 394.453 0.815 0 50 GCAA COc1cccc(CN2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2)c1 584887712 ROWTXTHBEKQZLM-INIZCTEOSA-N 385.468 0.497 0 50 GCAA O=C(NCC1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C1CCCC1 952867767 RLXHEJCNSVUSLU-OAHLLOKOSA-N 392.543 0.522 0 50 GCAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cc(N3CCOCC3)no2)C1 1772814254 QAFQJJZOPPOQPU-LBPRGKRZSA-N 376.417 0.152 0 50 GCAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2n(n1)CCN(C)C2=O 1857679796 WDBWYHOQAFFRSU-INIZCTEOSA-N 395.419 0.964 0 50 GCAA Cc1nc(CNC(=O)[C@@]23CCCN(S(C)(=O)=O)[C@H]2CN(C)CC3)n(C)c1C 1857689239 KKGVICONJLDKBL-MAUKXSAKSA-N 397.545 0.399 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@@H]2C(=O)NCc1nc2ccccc2o1 1875395930 QDJHCBUDPIPOHM-INIZCTEOSA-N 389.437 0.737 0 50 GCAA Cc1ccn(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cc(C)n(C)n3)C2)n1 1940196372 GLPLTWUCHARHJQ-ZMSDIMECSA-N 388.472 0.309 0 50 GCAA N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 2325800569 UFZNDMSOHBZZDJ-NAPHVPBUSA-N 379.457 0.965 0 50 GCAA Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nn1C(F)F 2733229 ODJZKDNJOIZMKJ-UHFFFAOYSA-N 388.400 0.467 0 50 GCAA CN(Cc1ccnc2ccccc12)C(=O)Cn1nnnc1CN1CCOCC1 19743474 LHUPSVFHNZTHGZ-UHFFFAOYSA-N 381.440 0.712 0 50 GCAA COCCN1CCN(C(=O)c2ccccc2C(C)=O)[C@H]2CS(=O)(=O)C[C@H]21 82099724 YAWWQCTUYZAQIY-SJORKVTESA-N 380.466 0.459 0 50 GCAA O=C(O)[C@H](c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2nc[nH]n2)CC1 95368717 SQAOZKQSIVMMEE-HNNXBMFYSA-N 381.396 0.574 0 50 GCAA COCc1nc(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 95501586 YTDYBKHMXOULQY-CVEARBPZSA-N 392.481 0.699 0 50 GCAA COc1ccc(CN2CCNC(=O)C2)cc1OC[C@@H](O)CN1CCCCC1 95528475 CTKUGNSGHSVEGJ-KRWDZBQOSA-N 377.485 0.853 0 50 GCAA Cn1ncc2ccc(NC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc21 96180927 WKBSAOYBDLGHCY-HNNXBMFYSA-N 377.470 0.910 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)CCCc2nc(O)c3ccccc3n2)CC1 252489188 JJKKZSLOSPCFFA-UHFFFAOYSA-N 378.454 0.762 0 50 GCAA COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)C2 252494546 NYEOUFOSSSORNA-MAUKXSAKSA-N 381.450 0.883 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)cc1 376783252 SGHYDICQXSFIPZ-LLVKDONJSA-N 380.451 0.460 0 50 GCAA Cc1ncn(CCNS(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)c1C 825284898 YZBZKMXIYZSTEV-UHFFFAOYSA-N 377.426 0.431 0 50 GCAA C=CC(=O)N(C)CC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 862120783 LFSBMMGPOGVLAQ-CQSZACIVSA-N 393.484 0.812 0 50 GCAA CN1CCCC[C@H]1CCC(=O)N1CCCN(CC(=O)N2CCOCC2)CC1 1529172024 FXFOPUSWYMVACR-SFHVURJKSA-N 380.533 0.644 0 50 GCAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)c(O)nc1=O 1565509974 JFFIGOFZLMGPMB-OLZOCXBDSA-N 383.408 0.258 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)COc3ccc(-n4cnnn4)cc3)C[C@H]2O)on1 1704352717 HZUJPSCABSLSDO-CXAGYDPISA-N 384.396 0.400 0 50 GCAA C[C@@]1(NC(=O)C2CCC2)CCOC2(CCN(c3ccnc(N)n3)CC2)[C@H]1O 1772700640 BNBPXPVGMHRLSR-FUHWJXTLSA-N 375.473 0.854 0 50 GCAA Cc1nc(CNS(=O)(=O)CC[C@H]2CCS(=O)(=O)C2)nc2c1CCCC2 1857705237 ZDNFPPCJNFBOCT-CYBMUJFWSA-N 387.527 0.908 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 1857712715 NMKIVAXKEWTIBB-OAHLLOKOSA-N 385.428 0.729 0 50 GCAA CC(C)n1cnnc1CN(C)C[C@@]1(O)CCCN(C(=O)CN2CCOC2=O)C1 1857719321 IQBGGXXYVQCZJY-SFHVURJKSA-N 394.476 0.097 0 50 GCAA CS(=O)(=O)N1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1875241142 PGNJJAISKARLSG-INIZCTEOSA-N 381.498 0.838 0 50 GCAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cn1nccn1 1875261703 MYHBJMSLJATQTF-SNVBAGLBSA-N 388.833 0.850 0 50 GCAA COCCN1CCC[C@@H](CNC(=O)Cn2nnnc2CN2CCCCCC2)C1 12092436 RUMCPDRFAVZFEE-KRWDZBQOSA-N 393.536 0.524 0 50 GCAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1ccc(F)cc1 14748672 UJBHUPUKIRCRLQ-JQHSSLGASA-N 397.406 0.972 0 50 GCAA CCc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3CCO)C2)cc1 67820328 VESPPQCGIYETBA-UHFFFAOYSA-N 379.438 0.883 0 50 GCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(c1ncnc3[nH]cnc13)C2 67966167 MSDRPTHTTJCIMZ-UHFFFAOYSA-N 375.396 0.895 0 50 GCAA O=C(O)[C@H]1CN(c2ncccn2)CCN1C(=O)CCc1ccc2c(c1)OCO2 71403976 YDACMLAUIJATAF-CQSZACIVSA-N 384.392 0.940 0 50 GCAA O=C(NCc1ccccc1-n1cccn1)c1cnc(Cn2cncn2)nc1O 92022546 LTZWQWMHCSXRHJ-UHFFFAOYSA-N 376.380 0.938 0 50 GCAA O=C(CCN1CCCn2nc([C@H](O)CO)cc2C1)NCc1ccc(F)cc1 230578410 WOJPRSGEMWAFBS-GOSISDBHSA-N 376.432 0.960 0 50 GCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)c3cccnc23)O[C@H](CO)[C@H](O)[C@H]1O 240707750 HQJWXXCVGAUCSJ-YYESSZKYSA-N 382.800 0.211 0 50 GCAA CN1CCN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)C[C@H]1C(=O)O 248030861 LARDJTJURATDCS-HNNXBMFYSA-N 391.453 0.478 0 50 GCAA COc1cc(N2C[C@@H](C(=O)NC[C@@H](C)C(=O)O)CC2=O)cc(OC)c1OC 263313067 YBBPUBVBMYSKOS-MNOVXSKESA-N 380.397 0.902 0 50 GCAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CC[C@H](Oc2cccnc2)C1 328615465 YNPZSPFYPUYQEK-NSHDSACASA-N 389.393 0.673 0 50 GCAA C[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@]2(CCO[C@@H]2C)O1 447981944 HNCXDEPLADKSLS-IOASZLSFSA-N 375.491 0.388 0 50 GCAA CN(C)[C@@H](CNC(=O)N1CCc2c(c(C(N)=O)nn2C)C1)c1cccs1 584903585 JUQOBZJCJCRHPC-ZDUSSCGKSA-N 376.486 0.951 0 50 GCAA Cc1c(CN2CCC3(CC2)CN(C(=O)[C@H]2CCN(C)C2)CCO3)cnn1C 823754926 BRJNJWXBUOIBLX-KRWDZBQOSA-N 375.517 0.874 0 50 GCAA O=C(N1CCNCC1)N1CCN(c2nccn3nc(C(F)(F)F)cc23)CC1 905646223 ZLVQQOJKEDFOGG-UHFFFAOYSA-N 383.378 0.895 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NC[C@@H]2CCCO2)C1)C1CCOCC1 1857706393 IIGUYGJRRNQYAM-ABSDTBQOSA-N 379.501 0.821 0 50 GCAA Cn1cc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)ccc1=O 1857707906 PGSMIDMUDJKLGU-KBPBESRZSA-N 389.433 0.339 0 50 GCAA CN(C)S(=O)(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857720630 CIIYZTUXEGFEPR-UHFFFAOYSA-N 397.501 0.105 0 50 GCAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@H]1CNC(=O)N1C 1875313252 NHABUKOOQSBZJZ-SNVBAGLBSA-N 391.833 0.194 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cnn(CC3CCCC3)c1)C2 1875396192 YJJGBSYEAAMADD-HNNXBMFYSA-N 394.497 0.449 0 50 GCAA N=c1ncc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CN2CCOCC2)c[nH]1 2100473346 JOVKHFXISMOSQH-NXLVEIQXSA-N 395.507 0.798 0 50 GCAA Cc1cccn2cc(CC(=O)NC[C@H]3C[C@@H](O)CN3c3cc(N)ncn3)nc12 2325786228 VLKCXILSHMQGGM-HUUCEWRRSA-N 381.440 0.313 0 50 GCAA COc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 17078832 RPIYCTRQIOVVPE-UHFFFAOYSA-N 386.451 0.830 0 50 GCAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)nn2)n1 49343629 YKURIZACHZWUCL-UHFFFAOYSA-N 377.474 0.852 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1nc(-c2ccncc2)n[nH]1 72152001 LJWGFYASRULIDB-HNNXBMFYSA-N 383.456 0.616 0 50 GCAA Cc1c(C(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cnc2ccnn12 91305263 HQUCUAJHQOOUEZ-HXUWFJFHSA-N 387.484 0.973 0 50 GCAA CN(C)C[C@]1(O)CCN(S(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)C1 95361391 GERDBCCELNMJNS-GOSISDBHSA-N 381.498 0.656 0 50 GCAA CN(Cc1ccon1)S(=O)(=O)c1cccc(C(=O)N2CCCNCC2)c1 97742591 ZALKPASUZHMSCZ-UHFFFAOYSA-N 378.454 0.931 0 50 GCAA C[C@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)N1C(=O)c2ccccc2C1=O 169882271 SBUDHPNRPIXEDG-LLVKDONJSA-N 379.438 0.211 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)c2)CCN1 188310589 RBYZVWIKBXXKCG-CYBMUJFWSA-N 384.415 0.561 0 50 GCAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN2CCCC[C@H]2C1 195070486 CZTIQQKJHMWJPB-INIZCTEOSA-N 389.500 0.544 0 50 GCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@@]16CCS(=O)CC[C@@]56[C@@H]2[C@@H]43 247337947 RJOVTMHCDKITPS-UUKPGWKSSA-N 381.457 0.931 0 50 GCAA CCCc1nc(C)cc(N2CC[C@]3(O)CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)n1 247982656 XYXGOKJNTQIRLG-YJBOKZPZSA-N 397.545 0.807 0 50 GCAA O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)C1 329702435 IDOGTARFXMKYOP-ZWKOTPCHSA-N 399.557 0.950 0 50 GCAA Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(C(=O)c2cnc3nc[nH]n3c2=O)C1 952967763 LFVOBFNMCLKAMY-LBPRGKRZSA-N 399.411 0.305 0 50 GCAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@@]2(CO)C1 1772812289 FBJUMFVRRPPPAP-KDOFPFPSSA-N 396.513 0.783 0 50 GCAA O=C1CCc2c1cccc2C(=O)N[C@@H]1CS(=O)(=O)[C@H]2CN(CCCO)C[C@@H]12 1857703853 TYIITZCVOQQWKI-JZXOWHBKSA-N 392.477 0.025 0 50 GCAA CS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857709145 HTBJWPGWXGCEMD-QLFBSQMISA-N 387.889 0.520 0 50 GCAA CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857719879 WNZGPRQPYGAKFE-IKGGRYGDSA-N 395.525 0.847 0 50 GCAA CCc1nc(O)ccc1C(=O)N[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1O 1875246913 HKNAAYRGRNMZCX-IUIKQTSFSA-N 387.440 0.301 0 50 GCAA COC(=O)c1nccc(N2CC[C@@]3(CCN(C(=O)c4coc(C(N)=O)c4)C3)C2)n1 1875303244 GSCMMWJZYRSUCD-LJQANCHMSA-N 399.407 0.698 0 50 GCAA CNC(=O)c1cccc(C(=O)N2CCC[C@H]3CN(CC(=O)N4CCC4)C[C@H]32)c1 1875338913 PZOHCHBGDYVDOK-ZWKOTPCHSA-N 384.480 0.815 0 50 GCAA CCN(CCN(C)C)C(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)COc2ccccc2)C1 1940195781 MHJSHXNPCFIXQR-SZMVWBNQSA-N 377.485 0.731 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)c1cn[nH]c1 2100473578 FSYFYXXCQAHMNN-NWANDNLSSA-N 377.445 0.062 0 50 GCAA Cc1nc2c([nH]1)CN(C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c3scnc3C)C1)CC2 2100545199 JHWNXVUYAKCVCR-NJZAAPMLSA-N 389.481 0.937 0 50 GCAA NC(=O)CO[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 2325707341 CCBGAWPLPYQSAN-MRXNPFEDSA-N 398.419 0.593 0 50 GCAA 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DVBLMHOINDGHDQ-INIZCTEOSA-N 398.529 0.344 0 50 GCAA COc1ccc(/C=C/C(=O)N2CCC[C@]3(CCNC3)C2)cc1S(N)(=O)=O 888096893 PFDIDAGFWGNZET-MJICGBHWSA-N 379.482 0.958 0 50 GCAA COc1cc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc(OC)c1 1565529258 LLFIURPPZGYEQT-GUYCJALGSA-N 384.454 0.482 0 50 GCAA CN(CC(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C)Cc1ccc(F)cc1 1704324909 HCZOZLKEAFCJEL-GOEBONIOSA-N 387.477 0.280 0 50 GCAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C[C@@H]12 1704337569 ADADSZRKJNNVAP-DZASIIFFSA-N 390.488 0.732 0 50 GCAA O=C1COc2cc(C(=O)N3C[C@H]4CN(Cc5cnc[nH]5)C[C@]4(CO)C3)ccc2N1 1772815219 LKLPAFUNHZLLKJ-JLTOFOAXSA-N 397.435 0.307 0 50 GCAA CN1CCN(c2ccc(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)cc2)CC1 1857709385 VDFODDARXYHUQA-IHPCNDPISA-N 388.512 0.392 0 50 GCAA CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2c[nH]c(=N)nc2C1 1875268423 MWQRQKOQPPLDLE-INIZCTEOSA-N 387.465 0.160 0 50 GCAA CC(C)[C@H](O)Cc1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355954 HZNYVYSKYFAYHP-IAGOWNOFSA-N 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CCn1c(C)[n+](CCCS(=O)(=O)O)c2cc(S(=O)(=O)N(C)C)ccc21 1950674 CEOPBWPPBVRBDX-UHFFFAOYSA-O 390.507 0.785 0 50 GCAA Cn1nc(NC(=O)[C@H]2CCS(=O)(=O)C2)c2c(N3CCOCC3)cccc21 72407817 JCKQYRHNKWSBLO-LBPRGKRZSA-N 378.454 0.783 0 50 GCAA Cc1cccc(C)c1NC(=O)N1CCN(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]21 77354858 XVAXRUCXTOBTGB-KGLIPLIRSA-N 381.454 0.703 0 50 GCAA CCC(CC)C(=O)N1CCN(C(=O)c2cnccn2)[C@H]2CS(=O)(=O)C[C@H]21 82115732 MWVGZWZIVKOABQ-CABCVRRESA-N 380.470 0.363 0 50 GCAA Cn1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)cn1 91518710 GXRJSIQMEABKOV-UHFFFAOYSA-N 378.458 0.092 0 50 GCAA Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 285311191 DXMAYMSNVPDWFY-LBPRGKRZSA-N 390.483 0.738 0 50 GCAA NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 474420460 FRHDTWXVRLRNOS-UHFFFAOYSA-N 386.455 0.752 0 50 GCAA CNC(=O)C1CCC(NC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 1261210569 SHYKYGAHWUWDHR-UHFFFAOYSA-N 398.485 0.447 0 50 GCAA Cc1ccc(C)c2c(=O)cc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)[nH]c12 1529093868 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GCAA CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ncccc2[nH]1 8846414 APUMAATXNMRSEW-UHFFFAOYSA-N 387.385 0.973 0 50 GCAA CN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10111677 MKFNRAXLVBOTCE-UHFFFAOYSA-N 375.878 0.652 0 50 GCAA O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1)c1ccccc1Cl 95530329 BFXCEHFNPAVBIN-NSHDSACASA-N 390.827 0.999 0 50 GCAA CCc1ccc(CNC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772476 DSKMYWVPSGOQGF-UHFFFAOYSA-N 393.465 0.364 0 50 GCAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC)c(OC)c1 253470723 BKZFNWRQSNLQMK-NSHDSACASA-N 377.397 0.833 0 50 GCAA CN1C(=O)c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2C1=O 257174559 IFYHRSNWCAAOIK-HNNXBMFYSA-N 392.371 0.992 0 50 GCAA O=C(O)[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CCO1 299747338 CQZOBBQUTBUQGC-LBPRGKRZSA-N 399.197 0.487 0 50 GCAA CC(C)Nc1ncc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cn1 299765901 ZEIJPEFCTCFYJJ-RCJHGTSTSA-N 376.457 0.925 0 50 GCAA CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)cc1 408257957 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378.444 0.697 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)CC2)c1 1875247179 SFISHJXNRPRAQR-MJGOQNOKSA-N 386.496 0.433 0 50 GCAA CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@](C)(NC(=O)CN2CCCCC2=O)C1 1875345509 ACNRJWBXOOYUHK-OXQOHEQNSA-N 394.516 0.657 0 50 GCAA COc1cn(CC(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)c(C)cc1=O 1875402671 JUJKOGFBWWGATK-BPLDGKMQSA-N 394.859 0.971 0 50 GCAA O=C(Cc1ccc(O)c(F)c1)N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O 2100473759 ZGHYWCJCAKENIN-YSVLISHTSA-N 380.416 0.578 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cc3nccn3c(O)n2)c1 2325865212 SCEMLDQCYWRKMQ-UHFFFAOYSA-N 383.368 0.684 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N[C@H]2C[C@H](C(=O)OC)C2)cc1OC 2356148786 RRHHMFGZMGRKJS-SKNMWMDOSA-N 392.408 0.328 0 50 GCAA Cn1c(=O)n(CCO)c(=O)c2c1nc(SCC(=O)O)n2Cc1ccccc1 3211997 VPNKWPRNLWZLHK-UHFFFAOYSA-N 390.421 0.114 0 50 GCAA Cc1cn2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc2n1C 4250916 YDZQSLDCDBRUMP-UHFFFAOYSA-N 381.392 0.738 0 50 GCAA Cc1cc(N2CCN(C(=O)Cn3nnnc3CN3CCCC3)CC2)cc(C)n1 12596165 XXLXJGLFEFABIN-UHFFFAOYSA-N 384.488 0.630 0 50 GCAA CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 13323649 SECXUKFCXKLHFE-UHFFFAOYSA-N 377.264 0.360 0 50 GCAA CCc1ocnc1C(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67805305 DLXNTKHUZBKJFZ-DZGCQCFKSA-N 378.429 0.605 0 50 GCAA CC(C)N1CCC(CN2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 72412214 KTQILUSYJIEMJW-ZWKOTPCHSA-N 395.573 0.813 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN(C(=O)CCN)C2 77420249 VHLCZGXJXQKZKI-MRXNPFEDSA-N 381.498 0.720 0 50 GCAA COCCOC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 82107872 SBHIRLLAYNYVAN-INIZCTEOSA-N 383.489 0.805 0 50 GCAA COc1cc(-n2cnnn2)ccc1NC(=O)NCCN1CCCC[C@@H]1CO 97742633 XEMMMPCVPSSUQO-CQSZACIVSA-N 375.433 0.639 0 50 GCAA O=C(CCCc1nc(-c2ccncc2)no1)N1CCN(c2ncc[nH]c2=O)CC1 221443575 DVMHROYIIXWLBM-UHFFFAOYSA-N 395.423 0.886 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2nn(C)c3ccccc23)C1 243957186 CHHHYJLABRATRP-BETUJISGSA-N 384.440 0.980 0 50 GCAA 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O=C(Nc1cccc(-n2cnnn2)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 51189953 SWDIETBVGRZKBG-CQSZACIVSA-N 385.428 0.765 0 50 GCAA COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(N3CC(=O)NC3=O)cc1)C2 65434884 TYXFSHRLTXPVEK-UHFFFAOYSA-N 383.364 0.382 0 50 GCAA CN1N=C(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)CCC1=O 67755498 QCSBDDJPNLOPMI-UHFFFAOYSA-N 382.424 0.875 0 50 GCAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91997560 VRYZMOSHFBQAHO-LJQANCHMSA-N 376.457 0.568 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCSCC3)c2)CC1=O 95385443 KHYFWJASEXEGBW-UHFFFAOYSA-N 383.495 0.338 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@]2(C(=O)O)C1 96137389 VTJWYYUMJNMLKB-NHYWBVRUSA-N 387.483 0.189 0 50 GCAA CN(C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 170613213 NUKOMCVYJPOOFB-LSDHHAIUSA-N 375.516 0.891 0 50 GCAA O=C(NCc1ccccc1OCCN1CCOCC1)c1[nH]nc2c1CNCC2 188742264 YEBXQJFCIXYKNC-UHFFFAOYSA-N 385.468 0.696 0 50 GCAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218151283 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C[C@H](C(=O)N1CCCN(C(=O)CCCc2cn[nH]c2)CC1)N1CCCC1=O 1529189926 BPVALKXIJXUTHN-OAHLLOKOSA-N 375.473 0.804 0 50 GCAA CC(=O)N[C@]1(C)CCOC2(CCN(C(=O)CCCN3CCCC3)CC2)[C@H]1O 1704312449 BRANYWRKVZSFQQ-RBUKOAKNSA-N 381.517 0.900 0 50 GCAA O=C1CO[C@]2(CCN(Cc3ccccc3OCCCN3CCOCC3)C2)CN1 1772811041 NGGIHDKQCWGMBD-OAQYLSRUSA-N 389.496 0.879 0 50 GCAA COc1cccc(CN2CCOC[C@H](C(=O)O)C2)c1OCCN1CCOCC1 1772817603 GCWHHPNKONXTKE-QGZVFWFLSA-N 394.468 0.939 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccccc1 1857682312 VEHNTYNMDQMLRY-QLPKVWCKSA-N 394.497 0.049 0 50 GCAA CN(C)S(=O)(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)CC2)CC1 1857715012 XHCWCKSJTHTNTK-UHFFFAOYSA-N 383.518 0.791 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NS(=O)(=O)Cc3ccccc3)C[C@H]2CO1 1857737862 HBJFOIHZELTHIS-IKGGRYGDSA-N 381.498 0.426 0 50 GCAA CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C2CC2)nc(S(C)(=O)=O)n1 1875330787 ZSQWXKQPNHCHQU-UBHSHLNASA-N 394.497 0.972 0 50 GCAA C[C@]1(NC(=O)C[C@@H]2CCNC2=O)CCCN(C(=O)CN2CCCCCC2=O)C1 1875346209 WRFCFEPHDVSAGU-YWZLYKJASA-N 392.500 0.413 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356152133 BSHNHFVUFJKYME-KRWDZBQOSA-N 380.470 0.114 0 50 GCAA CCn1nccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 2732852 FNFBXEBCTPHRCI-CQSZACIVSA-N 394.501 0.662 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccncn1 15069713 HMAFAUZEQAWPQJ-QGZVFWFLSA-N 383.452 0.882 0 50 GCAA O=C1C[C@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(Br)cc1 19335198 DYONQROCMJKJDK-AWEZNQCLSA-N 382.258 0.691 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C)CC2)c(OC)c1 72159146 HBLPVISPQFQTQP-KRWDZBQOSA-N 390.484 0.168 0 50 GCAA Cc1ccc(OCC(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72429778 ZLTWUBZEWZWLGH-DLBZAZTESA-N 394.493 0.866 0 50 GCAA O=C(NCC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1)c1ccccc1 72436912 NQAYFQYGLCNNPJ-UHFFFAOYSA-N 391.435 0.741 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(S(C)(=O)=O)CC2 77343242 DLLOOVWJCOLYMG-OAHLLOKOSA-N 388.511 0.804 0 50 GCAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 95515347 QKCIJZUDWRITGM-OAHLLOKOSA-N 388.472 0.091 0 50 GCAA Cc1ccn(CC(=O)N2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95525517 SKSBHCFSPGAVHT-SJORKVTESA-N 389.481 0.097 0 50 GCAA COc1cc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc(OC)c1 96165614 LLFIURPPZGYEQT-CXAGYDPISA-N 384.454 0.482 0 50 GCAA Nc1nc(N2CCOCC2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n1 212352094 YWOYPSVAUUGBQC-CABCVRRESA-N 399.451 0.979 0 50 GCAA CNS(=O)(=O)N1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 296098593 XAOYXKPDSXGXDP-XJKSGUPXSA-N 384.477 0.569 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)N(C)C)C2)cc1C(=O)O 414341532 OIKIDCJWNTUQBF-NSHDSACASA-N 385.442 0.818 0 50 GCAA O=C(Cc1ccncc1)N1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1 827970046 WFXZMQRYMQPBBI-UHFFFAOYSA-N 381.436 0.948 0 50 GCAA C[C@@H](c1ccn(C)n1)n1nnnc1N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 1335976240 WQIXCFDGKRVSGC-QXEWZRGKSA-N 393.395 0.428 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(-c2ccccc2)[nH]n1 1704357116 CDFYSGMMUCRVTJ-BBRMVZONSA-N 378.454 0.713 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)NCc3cccc(F)c3)C[C@H]2CO1 1857731236 DHDMLQSRPFCFHD-ULQDDVLXSA-N 378.448 0.945 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)CCc3ccccc3OC)CCO2)n1 1857734929 ZGKRBBHVEIEYHB-INIZCTEOSA-N 375.429 0.861 0 50 GCAA O=C([C@H]1CC(=O)N(C2CNC2)C1)N1CCO[C@@H](COc2ccc(F)cc2)C1 1875315821 JBSICXGFZVDMQV-SUMWQHHRSA-N 377.416 0.252 0 50 GCAA CC[C@@](C)(O)c1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355669 DPLXRVOWOQASHA-AUUYWEPGSA-N 383.408 0.646 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cccc(C3(S(C)(=O)=O)CC3)c2)N1C 1875403363 URZXAIBKFBSEJB-KDOFPFPSSA-N 396.509 0.532 0 50 GCAA Cc1cc(=NC(=O)C(=O)NCc2cnc(N(C)C)n2C)[nH]n1-c1ccc(F)cc1 2325748747 ORFBKGMKCSGTEM-UHFFFAOYSA-N 399.430 0.796 0 50 GCAA O=C(N[C@H]1c2ccccc2OC[C@H]1O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 2325798479 WNKATEWZRVJBSP-LESCRADOSA-N 394.493 0.496 0 50 GCAA 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1940194732 KJEHBPZNUJUZRW-IAOVAPTHSA-N 394.472 0.245 0 50 GCAA CCCN(CC(=O)O)C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896293 VSRMYCSHTGZTHQ-CQSZACIVSA-N 387.392 0.384 0 50 GCAA O=C(O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1 4521518 ZDLZKMDMBBMJLI-FDMDGMSGSA-N 399.403 0.337 0 50 GCAA in-vitro NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 20406577 DXHMBYIHDHXTMJ-KRWDZBQOSA-N 387.461 0.794 0 50 GCAA O=C(NC(CO)CO)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71764736 ZXVUHQJQIZIHBN-KRWDZBQOSA-N 376.501 0.227 0 50 GCAA O=C(NC1CCOCC1)[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 72435292 PHVKBJYGOSDKCU-QGZVFWFLSA-N 376.409 0.480 0 50 GCAA CCN1CCN(Cc2cc3ccccc3n(C)c2=O)[C@H]2CS(=O)(=O)C[C@H]21 77298773 JZQQKZDSTHFTMP-MSOLQXFVSA-N 375.494 0.842 0 50 GCAA COc1cc(OC)nc(N2C[C@@H]3OC(=O)N(CCN4CCCCC4)[C@@H]3C2)n1 247889052 MAABLYCMYQUUQT-KGLIPLIRSA-N 377.445 0.989 0 50 GCAA COc1cccc(CC(=O)N2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c1 247898686 POMADMVRPMRLDC-GUYCJALGSA-N 382.438 0.042 0 50 GCAA Cc1nn(C)c(C)c1[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(F)(F)F 331224438 XAXPOGLOGHOZCQ-LBPRGKRZSA-N 397.423 0.672 0 50 GCAA O=C(Cn1cccnc1=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 366153682 CDCOXFWXLDWKQC-GFCCVEGCSA-N 382.467 0.274 0 50 GCAA COc1cc(CC(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc(OC)c1OC 1704310150 WUAASOQRABJQSM-HDICACEKSA-N 379.365 0.643 0 50 GCAA Nc1n[nH]c(SCC(=O)N2C[C@H]3COC[C@@H](C2)CN3Cc2ccccc2)n1 1704315558 KEGZWKBVJGYSRJ-CABCVRRESA-N 388.497 0.838 0 50 GCAA Cc1cnccc1C(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1775991916 OQPDPYCZOUVKQX-HOCLYGCPSA-N 399.451 0.395 0 50 GCAA CC(C)C(=O)N1CCC[C@@]2(CN(CCCS(=O)(=O)N(C)C)CC[C@H]2O)C1 1857688143 VNRGFSRKLYHAKX-SJLPKXTDSA-N 389.562 0.599 0 50 GCAA Cc1cnc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)CCNS(C)(=O)=O)cn1 1857706232 LOEVPELTTJFVEP-HALDLXJZSA-N 381.502 0.051 0 50 GCAA COCC(=O)NCc1ccnc(CNC(=O)CN2CCOc3ccccc3C2)c1 2100483114 SLWFQJKGCOBEMC-UHFFFAOYSA-N 398.463 0.855 0 50 GCAA CCOc1cc(C(=O)N2CCOC3(CCS(=O)(=NC(C)=O)CC3)C2)[nH]n1 2325785222 KSZLKWAWKGGRCP-UHFFFAOYSA-N 384.458 0.828 0 50 GCAA O=C1CO[C@H](C(=O)N2CCC(O)(Cn3ccnc3)CC2)[C@@H](c2ccccc2)N1 2356137434 XRRBESPAEUSAKX-MSOLQXFVSA-N 384.436 0.493 0 50 GCAA CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2OCC(=O)O)NC(=O)N1 65409880 WWFQQENVVOUPOY-MRXNPFEDSA-N 375.381 0.637 0 50 GCAA COC(=O)C[C@H](N)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 71589781 CSRAVBGIQLKDSW-HNNXBMFYSA-N 383.452 0.985 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1 72161878 NXHNCBFLKSQNFZ-UHFFFAOYSA-N 375.498 0.801 0 50 GCAA Cc1nnnn1CCCN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72421001 BEFOOIGDVPIRLY-OAHLLOKOSA-N 376.461 0.549 0 50 GCAA CN(C)CCN1C[C@]2(CCCN(C(=O)CCCn3cnnn3)C2)CCC1=O 72422701 KMXVAVRKLCVPPZ-GOSISDBHSA-N 377.493 0.246 0 50 GCAA CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1 77505828 FMYVAHUEQICEDD-INIZCTEOSA-N 381.498 0.905 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)CCN3CCCCCC3=O)cc2C1 92037489 LTHWAVXVDWVYIB-UHFFFAOYSA-N 390.488 0.789 0 50 GCAA Cc1cn(CC(=O)N[C@H]2CN(C(=O)CC(C)C)C[C@@H]2C2CC2)c(=O)[nH]c1=O 95384109 HQFWCVTYEIEDIE-CABCVRRESA-N 376.457 0.244 0 50 GCAA CSCCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2COCCO2)c1 95392452 PXQUZNHOQPOVOP-AWEZNQCLSA-N 388.511 0.815 0 50 GCAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C(N)=O)C2)c(OC)c1 95515457 WPVFXVMNDHDCDA-CYBMUJFWSA-N 377.441 0.824 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(N)[nH]n2)CN1C(=O)C(C)(C)C 96163220 MIRGIJHVARVWEB-AAEUAGOBSA-N 378.477 0.606 0 50 GCAA C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](C(=O)C2CC2)C1 252515795 NRNLAQCUKJHFCE-IAQYHMDHSA-N 381.454 0.341 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1=O 328612513 OWQNFNIBDGAGLU-CQSZACIVSA-N 376.438 0.829 0 50 GCAA O=C(NCCCN1CCCC[C@H]1CO)N1CCN(C(=O)c2ccco2)CC1 426490354 SLSMNBMPPHYYNR-INIZCTEOSA-N 378.473 0.984 0 50 GCAA O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)C[C@@H](O)CNC2=O 426494509 PUXPRFDVMIXNHG-JTQLQIEISA-N 384.314 0.816 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(c3nc[nH]n3)CC2)o1 426683991 WVSHAGSPUUPBQA-MRXNPFEDSA-N 386.456 0.803 0 50 GCAA CN1CC[C@@H]2OCCN(c3ncnc4c3ncn4CC3(O)CCOCC3)[C@H]2C1 888097165 CUEUPSCUOTYRMS-GJZGRUSLSA-N 388.472 0.277 0 50 GCAA C[C@H](Cn1cncn1)C(=O)N1CCCN(C(=O)c2cn3ccccc3n2)CC1 1704298254 IMZMAENQDQREJT-OAHLLOKOSA-N 381.440 0.937 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccc3N3CCC(=O)NC3=O)C[C@H]2O)n[nH]1 1704299104 OHAUGMBUEIMVRB-CXAGYDPISA-N 397.435 0.840 0 50 GCAA CN(CC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1)C(N)=O 1857735318 CLQOONXBNNIGLU-RDJZCZTQSA-N 378.477 0.185 0 50 GCAA CCN1C(=O)CO[C@H](C(=O)N2CCc3c[nH]c(=N)nc3C2)[C@H]1c1ccccc1 1875268395 AJARNXQPPDMMQK-MSOLQXFVSA-N 381.436 0.762 0 50 GCAA Cn1cc([C@@H](N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)C(F)(F)F)cn1 1875398963 KKRNIGJSEMOOTQ-SMDDNHRTSA-N 386.378 0.289 0 50 GCAA CN1CCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)[C@H]2CS(=O)(=O)C[C@H]21 72408822 QEJCQIFPYNBDCZ-CABCVRRESA-N 379.413 0.220 0 50 GCAA CN(C)C(=O)CN1CCN(Cc2cccc(F)c2F)[C@H]2CS(=O)(=O)C[C@H]21 77505562 PKJKXQWAAVCFAL-LSDHHAIUSA-N 387.452 0.336 0 50 GCAA C[C@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77538830 QEXGNXFCFFRECM-AWEZNQCLSA-N 389.477 0.868 0 50 GCAA O=C(NC[C@@H]1CCCN(C(=O)COc2ccc3nncn3n2)C1)c1ccco1 95525512 HPVVGXUADQKQKL-ZDUSSCGKSA-N 384.396 0.765 0 50 GCAA CCCCC(=O)N[C@@H]1C[C@@H](C(=O)NCC)N(C(=O)c2cc(C)nc(N)n2)C1 96152311 NLACIMZCIQYQBN-OCCSQVGLSA-N 376.461 0.393 0 50 GCAA Cc1cc(C)cc(C(=O)N2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)c1 247529040 OFODHERDVSRTSP-CABCVRRESA-N 386.495 0.186 0 50 GCAA O=C(O)C[C@@H]1CSCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 262555472 WFRMIRFTBODMBM-LLVKDONJSA-N 377.422 0.499 0 50 GCAA Cc1cc(N2CCC[C@H](N(CC(=O)N3CCCC3)S(C)(=O)=O)C2=O)n(C)n1 328610380 HOVWVFBJJDCHCO-AWEZNQCLSA-N 397.501 0.108 0 50 GCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1=O 366129975 YHYCTHQMFQRJMC-HXUWFJFHSA-N 399.451 0.189 0 50 GCAA CC[C@@H](CNC(=O)N1CCCN(c2ncccn2)CC1)N1CCN(C)CC1 534653111 CHBNFTVXEPKJHA-KRWDZBQOSA-N 375.521 0.724 0 50 GCAA COC(=O)N1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CC1 1529153034 PFEONNFPOCECFS-SJORKVTESA-N 375.425 0.804 0 50 GCAA CCOCCN1C(=O)[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)c2ccccc21 1940197455 RFTUYKNABLGAFT-HXUWFJFHSA-N 382.420 0.937 0 50 GCAA Cc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C2)ccn1 2100483426 SRJZKGDJYKBKQG-JYJNAYRXSA-N 397.497 0.087 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCCCc2ccccc2)C[C@H]1O)c1c[nH]c(=O)cn1 2100556842 JVLZQZYHZLPOPC-ZMSDIMECSA-N 384.436 0.388 0 50 GCAA COC(=O)/C=C(/CC(C/C(=C/C(=O)OC)OC)(C(=O)OC)C(=O)OC)OC 4533086 BPRHHAORKOCUOA-OXAWKVHCSA-N 388.369 0.506 0 50 GCAA Cc1nccn1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 12315617 MKIWIMOCQLXWGD-MRXNPFEDSA-N 391.422 0.977 0 50 GCAA Cc1cc(CNC(=O)c2cn(C)nc2C(=O)NCc2cc(C)nn2C)n(C)n1 20617188 OLJFCDRMEUEVFA-UHFFFAOYSA-N 384.444 0.364 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N[C@H](c1ccco1)C(F)(F)F 23145877 BGCISLZYTLHCNX-CQSZACIVSA-N 388.350 0.908 0 50 GCAA NC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72157265 MWAWDROIQQDCOL-GOSISDBHSA-N 380.448 0.646 0 50 GCAA NC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 72173916 GQBBTKIEBHWWOA-LJQANCHMSA-N 394.475 0.611 0 50 GCAA CCc1ccccc1CN1CCN(CC(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77504110 VBHMARUSUBFSAI-ZWKOTPCHSA-N 379.526 0.620 0 50 GCAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnc[nH]c2=O)CC1 95518847 PSFPCRZBIOIPHR-MRXNPFEDSA-N 378.473 0.750 0 50 GCAA CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NCc2cnc(C)cn2)c1 95522044 HTFGRRJNVKIEIF-CQSZACIVSA-N 378.454 0.764 0 50 GCAA COC(=O)c1cccc(NC(=O)N2CCN(CCN3CCOCC3)CC2)c1 96131353 SSZXLAOEDSBCEU-UHFFFAOYSA-N 376.457 0.955 0 50 GCAA CCn1c(=O)n(CC)c2cc(NC(=O)NCc3noc(C(N)=O)n3)c(C)cc21 97551479 SASDSLNWEQZLQT-UHFFFAOYSA-N 387.400 0.955 0 50 GCAA C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCN1 262618013 HZBVIXCCRFEAEF-JSGCOSHPSA-N 393.465 0.444 0 50 GCAA O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCN2C(=O)N=C(O)[C@H]2C1 329414826 FESYFJAORJAECC-NOZJJQNGSA-N 378.335 0.921 0 50 GCAA COC(=O)c1cc(S(=O)(=O)N2CCC(C)(C)S(=O)(=O)CC2)cn1C 408453012 RXUUTICNZMEMEN-UHFFFAOYSA-N 378.472 0.400 0 50 GCAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCN2CCCC2=O)cc1 1565506659 PNPBFNGYISEFLD-HOTGVXAUSA-N 375.425 0.451 0 50 GCAA COc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)c(OC)cc1Cl 1704341598 XMRRZONHMPUKGE-WPRPVWTQSA-N 379.818 0.813 0 50 GCAA COc1ccccc1Cn1nc(CC(N)=O)nc1-c1cc2n(n1)CCN(C)C2=O 1857674516 LTAFVJSHHLIBDT-UHFFFAOYSA-N 395.423 0.312 0 50 GCAA O=C(NCCn1cncn1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857732923 NDBVMHLKZDFWKF-CQSZACIVSA-N 397.464 0.890 0 50 GCAA CC(=O)N1CC2(C1)[C@@H](C(=O)NCc1ccc3c(c1)OCCO3)CCS2(=O)=O 1875393945 VLNCQCCPGRKCED-CQSZACIVSA-N 394.449 0.110 0 50 GCAA CCCNC(=O)[C@H]1CC[C@@H](OC)[C@H](NC(=O)CCn2ccc(O)nc2=O)C1 2100547545 KKBLSJIRGQMDIZ-BFHYXJOUSA-N 380.445 0.165 0 50 GCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCCCCN1CCOCC1 12571348 LNGMQUDRMMDARV-GOSISDBHSA-N 382.549 0.842 0 50 GCAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN(C)C(C)C)C1 14971876 QMDZWPLMJROROC-HNNXBMFYSA-N 379.509 0.620 0 50 GCAA COCCNC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1 15003092 YWCMMOFQCIXFBT-CQSZACIVSA-N 393.469 0.680 0 50 GCAA CCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1 22016269 VTLWBBPPDRIRAT-UHFFFAOYSA-N 395.397 0.876 0 50 GCAA CCC[C@]1(C2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)NC(=O)NC1=O 67434099 IBIZKURIUGJCPL-QGZVFWFLSA-N 385.486 0.428 0 50 GCAA Nc1cc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)ncn1 71760930 XDYGTKYQVDRNMY-RTBURBONSA-N 382.512 0.859 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1 71775521 PRJMRYIKVLRSDJ-OAHLLOKOSA-N 377.489 0.797 0 50 GCAA Cn1cnnc1CCC(=O)N1CCOC[C@H]1CC(=O)N1Cc2ccccc2C1 72432114 OMMQAYJNYGMMJS-QGZVFWFLSA-N 383.452 0.908 0 50 GCAA COC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72441601 KWEZYVILYXJCMY-ZDUSSCGKSA-N 399.469 0.939 0 50 GCAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@H]13)O2)N1CCOCC1 77338413 LZZXGLOLXMJWBJ-BOSXTWCSSA-N 375.469 0.113 0 50 GCAA Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 82230187 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NC(=O)C1(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCCCC1 368824288 PWCNIQBDNWLQIR-KRWDZBQOSA-N 398.463 0.767 0 50 GCAA Cc1nccc(CN2CCC[C@@H](NS(=O)(=O)c3c(C)noc3C)C2=O)n1 375176375 AKDXHQGNSKRWLV-CQSZACIVSA-N 379.442 0.859 0 50 GCAA CN(C(=O)NC1CCN(Cc2cccs2)CC1)[C@@H]1CS(=O)(=O)C[C@H]1O 584893994 FLOKKMUNBWIICX-HUUCEWRRSA-N 387.527 0.512 0 50 GCAA O=C(Cn1nc2c(cc1=O)CCCC2)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088843 UIPJRKAYZWDYTM-ZVZYQTTQSA-N 384.480 0.982 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(Cc3nc4ccccc4[nH]3)C[C@H]2C1 1073389332 AYTCBGHVAHNRKS-KSSFIOAISA-N 393.513 0.628 0 50 GCAA CC[C@@H]1[C@H](C(=O)N(C)Cc2nc(C)no2)C[C@@H]2CN(c3cnccn3)CC(=O)N21 1857687426 QQONEZVUDMMBGH-RBSFLKMASA-N 399.455 0.642 0 50 GCAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 2100547413 JHKZOXAIINRREL-LBPRGKRZSA-N 381.400 0.384 0 50 GCAA Cc1c(N2C(=O)N[C@H](Cc3cnn(C)c3O)C2=O)c(=O)n(-c2ccccc2)n1C 2325851957 OADSFHSDIIJUPU-CQSZACIVSA-N 396.407 0.591 0 50 GCAA 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CCn1ccnc1CN(C(=O)c1cnc(O)n(C)c1=O)[C@H]1CC12CCNCC2 435557834 CCRKTFZHPORKTG-AWEZNQCLSA-N 386.456 0.487 0 50 GCAA CS(=O)(=O)c1ccc(OCCO)c(NS(=O)(=O)C[C@@H]2CCCCO2)c1 888093484 XKFOESWIAUZFGW-LBPRGKRZSA-N 393.483 0.772 0 50 GCAA CN1CCN(CCC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)CC1 1565506795 CRLWSUQBGRDJIA-OALUTQOASA-N 377.485 0.469 0 50 GCAA COc1ccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc1OC 1565526286 UHQBSCBWINXICE-GUYCJALGSA-N 384.454 0.482 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(c2cc(C(=O)O)c3ccccc3n2)C[C@H]1O 1704357331 QEFPQIMTZDONRC-XHDPSFHLSA-N 379.438 0.622 0 50 GCAA CN1CC[C@]2(C(=O)NCCc3ccnn3C)CCCN(C(=O)c3ncc[nH]3)[C@H]2C1 1857686536 AOKGQZQXFPDSEC-OXJNMPFZSA-N 399.499 0.429 0 50 GCAA O=C1COc2ccc(S(=O)(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cc2N1 1857730635 STHAALMRJCMQAO-PBHICJAKSA-N 393.421 0.129 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356164252 LMINVGPPKFWXOL-GOSISDBHSA-N 394.497 0.505 0 50 GCAA CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 810823 XRIVIEOXDUTFSH-UHFFFAOYSA-N 375.491 0.881 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnn(C)c1 20451044 JUTNYXLLUOMAHW-QGZVFWFLSA-N 385.468 0.478 0 50 GCAA NC1(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)CC1 71752111 IUAKUCKQMJGWFK-QGZVFWFLSA-N 385.512 0.892 0 50 GCAA Cc1ccc(CCNC(=O)C[C@@H]2COCCN2S(=O)(=O)N(C)C)s1 72480566 XGFHPVXDSLSTDM-CYBMUJFWSA-N 375.516 0.613 0 50 GCAA Cc1ccccc1N1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1=O 82137017 PXIFPSOZAJSQMW-HNNXBMFYSA-N 379.482 0.289 0 50 GCAA Cc1nc(N(C)C)ncc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 91326060 AWOCCNMDOLYZCX-UHFFFAOYSA-N 386.460 0.475 0 50 GCAA COCCN1CCC[C@@]2(CCN(Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O 95359202 RULRQRCZAUMPMG-FQEVSTJZSA-N 386.452 0.861 0 50 GCAA Cc1ccccc1-n1nc(Cn2cncn2)nc1CCn1ccc(=O)[nH]c1=O 96166765 YSIRFZUMRLXGOY-UHFFFAOYSA-N 378.396 0.308 0 50 GCAA O=C(Cn1ncn2nccc2c1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 112229752 LQRBCPWAAKEFAI-UHFFFAOYSA-N 386.843 0.889 0 50 GCAA O=C([C@@H]1CCNC1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262661639 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CC1=NC(=O)C2(CCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3ccccc3C)CC2)N1 2100545642 ZIXAHVLEAQXDJJ-MSOLQXFVSA-N 398.463 0.803 0 50 GCAA O=C(N[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1O)c1n[nH]c2c1COCC2 2100547024 ADCBLNKFAHTZJQ-APHBMKBZSA-N 376.457 0.754 0 50 GCAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)ns1 2356169339 QJKUEMCFVXFMFI-UHFFFAOYSA-N 382.467 0.830 0 50 GCAA COc1ccc(CN2CCNC(=O)C2)cc1OCCCNC(=O)[C@@H]1CCCO1 14953109 VQCCFONWQVGQCO-KRWDZBQOSA-N 391.468 0.691 0 50 GCAA COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 16650419 ZMQQJCBMYZTFHP-CZUORRHYSA-N 389.495 0.275 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC(C)(C)CO)CO2 71752592 NSWWFABFGYCOLL-CQSZACIVSA-N 379.457 0.537 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 77438930 BLSLJIXZZMJFGA-KGLIPLIRSA-N 390.421 0.142 0 50 GCAA CCS(=O)(=O)N1CCCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2O)C1 82121922 MEAQLQYKRPDYAM-GFCCVEGCSA-N 394.457 0.302 0 50 GCAA Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1C 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Cc1cc(C(=O)N2CCCN(CC(=O)NC[C@H]3CCCO3)CC2)nc(C)n1 1772704722 GYGXVVDVPZCCIT-MRXNPFEDSA-N 375.473 0.537 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)c3cc(O)nc4ccc(C)cc34)C[C@@]2(CO)C1 1772710389 QUDCSQFNNNYVBP-SPLOXXLWSA-N 399.447 0.788 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3ccc4c(c3)OCO4)C[C@H]2CO1 1857691724 AVPGUBITHSLWAI-ILXRZTDVSA-N 375.425 0.465 0 50 GCAA CC(C)[C@@H](O)Cc1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355955 HZNYVYSKYFAYHP-IRXDYDNUSA-N 397.435 0.588 0 50 GCAA Cn1c(N2CC[C@@H](N[C@@H](c3ccccc3)c3ncc[nH]3)C2)cc(=O)n(C)c1=O 1875400304 WFGWJKDCWXVLFX-QAPCUYQASA-N 380.452 0.765 0 50 GCAA O=C1NCCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)[C@@H]1CCO 2325874123 BLIRGJXJUUIRRJ-CQSZACIVSA-N 390.367 0.681 0 50 GCAA COC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 4694757 OREDNIMQUOTMOS-CMPLNLGQSA-N 394.181 0.698 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N[C@@H](c1ccco1)C(F)(F)F 23145875 BGCISLZYTLHCNX-AWEZNQCLSA-N 388.350 0.908 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCN(C)C(=O)C3)C2=O)c1 71748249 AHOHRTWANXLFTG-IBGZPJMESA-N 379.432 0.462 0 50 GCAA Cc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)CCn2cnnn2)cc1F 72463472 GDJRVZZQCFXUIO-CQSZACIVSA-N 376.392 0.767 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)nc(C)n1 72478305 QYKVNDLMAVZORM-CABCVRRESA-N 380.470 0.199 0 50 GCAA COCC(=O)N1CCC(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)CC1 95362542 DVYCVAFRMUBVGM-HNNXBMFYSA-N 377.441 0.885 0 50 GCAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cn[nH]c1 299775849 KXUPOPHLENOGMO-QGZVFWFLSA-N 375.473 0.489 0 50 GCAA COc1ccc(CN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CCNC2)cc1F 328635274 NFAKYKGIFRAPHH-OAHLLOKOSA-N 376.432 0.596 0 50 GCAA CN1CCN(C)[C@@H](CNC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)C1 332797488 ROAQPFUZJAYUIF-LSDHHAIUSA-N 377.493 0.191 0 50 GCAA Cn1cc([C@@H]2CN(C(=O)NC3CCN(c4nccs4)CC3)C[C@H]2N)cn1 333609137 RRFWIABSJAKCBQ-LSDHHAIUSA-N 375.502 0.982 0 50 GCAA CN(C)CCCOC1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 368637808 LJTIZVLAYJPORJ-QFBILLFUSA-N 391.516 0.899 0 50 GCAA COc1ccccc1CNC(=O)CN1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)O)C1 1615752344 TZQLWVDUKQQLPL-KXBFYZLASA-N 375.425 0.176 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2cnco2)cc1 1704298908 LNCBKVXZGORZBQ-LSDHHAIUSA-N 379.438 0.978 0 50 GCAA Cc1nonc1OCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)CCc1cccnc1 1857692756 SJLHFFRJUGCUGT-HOTGVXAUSA-N 385.424 0.986 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 1875364398 WQHDRKDUSVMIGW-UHFFFAOYSA-N 386.452 0.975 0 50 GCAA CCOC(=O)Cn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 2346077 BWMZUJAMXKLYIV-GFCCVEGCSA-N 377.445 0.371 0 50 GCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C 12203103 QUERZCVOOVRWQF-QGZVFWFLSA-N 387.484 0.340 0 50 GCAA CN(Cc1ccc2nonc2c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 55309152 MUZKQZGOSYZHNM-GOSISDBHSA-N 394.435 0.967 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCN(C)CC3)C2=O)c1OC 67788305 CSUAIORJGNQWRL-HXUWFJFHSA-N 377.485 0.805 0 50 GCAA COc1cccc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C(=O)O)c1OC 92106740 RAPAKEFTKCIHQA-UONOGXRCSA-N 376.409 0.953 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(NC)nc2)CN1C1CCOCC1 96148586 UHKMSFVDNRYVEX-ZFWWWQNUSA-N 376.461 0.006 0 50 GCAA COCCn1c(CN2CCN(c3ccccc3)C(=O)C2)nnc1[C@H]1C[C@@H](N)C1 244723851 MIQYDZUPLMWKPB-IYBDPMFKSA-N 384.484 0.978 0 50 GCAA CSCC[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252533042 FTUZFWJULHHCBU-LSDHHAIUSA-N 379.482 0.974 0 50 GCAA O=C([C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)N1CCN(C2CCCC2)CC1 266118597 HJWHSULTBLHSOF-KRWDZBQOSA-N 387.484 0.851 0 50 GCAA CO[C@@]12CC[C@@H](NC(=O)C(C)C)C[C@@H]1N(C(=O)c1ccc(=O)n(C)n1)CC2 534675559 UXPPMECGRVXFHS-FRIZHTMISA-N 376.457 0.705 0 50 GCAA CC(=O)NCCNC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 790653328 PZRSVWLFBBSKEA-IBGZPJMESA-N 387.440 0.847 0 50 GCAA Cn1nccc1CCC(=O)N1C[C@H]2CN(C(=O)c3cnsc3)C[C@@]2(CO)C1 1772709323 OHVOOICDTTYYKP-KBXCAEBGSA-N 389.481 0.402 0 50 GCAA Cc1noc(C)c1CC(=O)N1C[C@H]2CN(C(=O)c3ccc(N)nc3)C[C@]2(CO)C1 1772712378 QTTGINDBPLFCBM-YWZLYKJASA-N 399.451 0.404 0 50 GCAA O=C(Cc1ccsc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]12 1857689858 MSJIUKZSMXFKEC-CFVMTHIKSA-N 393.490 0.673 0 50 GCAA O=C1OC[C@@]2(Cc3ccccc3)CN(Cc3cc(=O)n4[nH]cnc4n3)CCN12 1857691822 YOYCTQKUKOJRSH-LJQANCHMSA-N 380.408 0.667 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)CCN2CCCCC2=O)[C@H]1c1cnn(C)c1 1857715215 HFLMAKANVCIMTL-LPHOPBHVSA-N 377.489 0.653 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1875249526 ZBJHHIHNPLCCOJ-GDBMZVCRSA-N 380.412 0.283 0 50 GCAA CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1875305809 IUTMSOMCHVQFJW-ILMHXZGMSA-N 398.485 0.791 0 50 GCAA Cc1cc(CO)oc1C(=O)N[C@H](CNC(=O)C1(C(N)=O)CCC1)C(C)(C)C 1875347411 OJTXESUAGHFNKT-CYBMUJFWSA-N 379.457 0.997 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1C 8714463 LAIRLACPPIGTEP-UHFFFAOYSA-N 387.527 0.950 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)N(CCO)Cc2cccs2)CC1 12111928 UEFFWGNYRFGLDM-UHFFFAOYSA-N 378.502 0.988 0 50 GCAA COC(=O)c1ccc(CN2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)cc1 20616622 RRDQBTMECHANQV-UHFFFAOYSA-N 386.408 0.863 0 50 GCAA O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606977 IZDQEGGFWPZAQP-CQSZACIVSA-N 387.527 0.597 0 50 GCAA CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1NS(C)(=O)=O 82166714 MRSJAJIDDVMPIZ-JKSUJKDBSA-N 377.470 0.913 0 50 GCAA CCc1nc2c(N3CCN(C)[C@]4(CCC(=O)N(CCO)CC4)C3)ncnc2o1 91380790 VEEBNWZNDNTOFC-IBGZPJMESA-N 388.472 0.676 0 50 GCAA Cc1nc2ncccn2c1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 91526078 XMHWNFWIBSJUTM-UHFFFAOYSA-N 382.428 0.661 0 50 GCAA CS(=O)(=O)N1C[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@]2(C(=O)O)C1 96163501 PXEIMVSBPWUKTQ-CXAGYDPISA-N 382.438 0.236 0 50 GCAA O=C(c1ncccc1O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 212947943 VLYPARQIDUSZDT-HIFRSBDPSA-N 376.413 0.155 0 50 GCAA COCCn1nnnc1[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CCO1 214958832 DPKFDJNHYZBJMA-AWEZNQCLSA-N 379.490 0.950 0 50 GCAA O=C1CNCCN1CC(=O)N1CCO[C@@H](c2ccccc2Br)C1 236589020 IHDYSRGUQOXCNK-CQSZACIVSA-N 382.258 0.781 0 50 GCAA Cc1c(C(=O)N2CCCC[C@H]2CN2CCOCC2)nnn1C1CCNCC1 237733213 HRLBSXUAFYEBLU-KRWDZBQOSA-N 376.505 0.838 0 50 GCAA N[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 269113119 LEUKYDAGPSNWMV-KBPBESRZSA-N 393.465 0.573 0 50 GCAA CN1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 378557028 IHVLINWBKRNNMG-INIZCTEOSA-N 388.468 0.277 0 50 GCAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1c1ncnc2c1ncn2C[C@]1(O)CCOC1 888097967 VWUMFVWKMJWHDH-NXEZDXNNSA-N 389.456 0.344 0 50 GCAA Cn1nc2c(c1NC(=O)[C@H]1[C@@H]3CC[C@@]4(CN(CCN)C(=O)[C@@H]14)O3)CSC2 1529161559 LFLOUEABGHQREY-JRATXPSKSA-N 377.470 0.070 0 50 GCAA O=S1(=O)C[C@H]2NCCN(c3ccnc(N4CCc5sccc5C4)n3)[C@H]2C1 1565510652 YVORBBWANUOOCH-KGLIPLIRSA-N 391.522 0.676 0 50 GCAA Cc1ccc2oc(=O)n(CCC(=O)N[C@H]3CCOC[C@@H]3OCC(=O)O)c2c1 1565527374 JYKHZPSSGSAAFE-WFASDCNBSA-N 378.381 0.668 0 50 GCAA NC(=O)NCC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696663 KOQCGWXEAVLBFC-LJQANCHMSA-N 382.424 0.719 0 50 GCAA Cc1ccc(-c2nc(-c3cn4c(n3)CCNCC4)n(-c3cnn(C)c3)n2)nn1 1857717358 MFCBBARBJJCWBI-UHFFFAOYSA-N 376.428 0.775 0 50 GCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857720251 LFRDBIHEKPQVND-XLAORIBOSA-N 388.468 0.087 0 50 GCAA CN(C)C(=O)NCCN(C)c1ncnc2c1ncn2CC1(O)CCOCC1 1875269113 FZBSRQDILCRLCB-UHFFFAOYSA-N 377.449 0.075 0 50 GCAA NC(=O)CSCC(=O)N(CCNC(=O)c1cc2cccnc2[nH]1)C1CC1 1875347379 NCHKVLBJORCPTN-UHFFFAOYSA-N 375.454 0.502 0 50 GCAA COc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)cc1Br 2325777904 MVTIBDITXKRMFU-GDGBQDQQSA-N 375.244 0.728 0 50 GCAA O=C(Cn1ccnn1)NC[C@H]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 2325869474 PMDMFQHUXDZQLC-CQSZACIVSA-N 379.424 0.947 0 50 GCAA C[C@@H]1CCN(C(=O)[C@@H]2CO[C@H](CN=c3ccc4nnnn4[nH]3)C2)CC1(F)F 2332237873 PGBPEPZLBCVDPE-WOPDTQHZSA-N 381.387 0.262 0 50 GCAA CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C 2516170 ZNGPROMGGGFOAA-JYJNAYRXSA-N 379.457 0.628 0 50 GCAA in-vitro Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 15592794 IVBIHCHMZKXMAS-UHFFFAOYSA-N 397.497 0.078 0 50 GCAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@H]1CC(=O)NCCCCO 67712635 IOFFMHKPBPVQHV-MRXNPFEDSA-N 391.468 0.635 0 50 GCAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)n[nH]1 72150177 QKORKYNVFHGGJL-ZDUSSCGKSA-N 378.383 0.398 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77522285 SYEQFZLHGVAIMV-UONOGXRCSA-N 385.873 0.945 0 50 GCAA Cc1nc(CCNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc(=O)[nH]1 95369733 VHEZDPHORUYWBU-UHFFFAOYSA-N 376.438 0.492 0 50 GCAA O=C(CN1CCCC1)N1CCC2(CCN(Cc3ncc[nH]3)CC2)[C@H](CO)C1 97514226 GOIFXTHDWBKRDZ-KRWDZBQOSA-N 375.517 0.929 0 50 GCAA CCn1cc(C(=O)NC[C@@H](C)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 138637939 XFNCMJNIXZOZQY-GFCCVEGCSA-N 376.432 0.681 0 50 GCAA C[C@@H]1CCS(=O)(=O)CCN1CC(=O)N1CCN(c2ccccc2F)CC1 192085736 UTSLHWWWQCKXSO-OAHLLOKOSA-N 383.489 0.983 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCN2CCC[C@H](O)C2)c1)N1CCC1 215515621 ZBEXEIVGARYMOS-INIZCTEOSA-N 381.498 0.658 0 50 GCAA COC(=O)[C@@]1(CO)N[C@@H](c2c(F)ccc(F)c2Cl)[C@H]2C(=O)N(C)C(=O)[C@H]21 247830716 LBIYQRYYRDYODH-ZZTKVPBPSA-N 388.754 0.398 0 50 GCAA O=C(CCc1nc(-c2ccccn2)no1)N1CCC[C@@H](N2CCNCC2=O)C1 262532965 PNHWIKJXCKSVLI-CQSZACIVSA-N 384.440 0.487 0 50 GCAA Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)N[C@@H]1CCN(C)C1=O 273738567 SXAFGMMIBTVFCU-SNVBAGLBSA-N 391.243 0.965 0 50 GCAA CN(CC(=O)NCCOc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 827825788 UZWJLEOMQCHRCB-HNNXBMFYSA-N 377.466 0.849 0 50 GCAA COC(=O)Cn1cc(CN2CCc3nnc(N4CCCOCC4)cc3C2)nn1 952890577 DUUJHSBOUZTIOH-UHFFFAOYSA-N 387.444 0.026 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1 1506408936 NUNMEVZVOQZXRQ-SFHVURJKSA-N 395.525 0.977 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCCN(C)CC2)cc1OC 1529153037 PGFNMRHLQIRIKM-MSOLQXFVSA-N 377.441 0.424 0 50 GCAA COc1ccccc1[C@H](N)CNC(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775962220 ZWFOIRFAVLZMER-MRXNPFEDSA-N 385.468 0.974 0 50 GCAA Cc1cnccc1C(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1775991914 OQPDPYCZOUVKQX-GDBMZVCRSA-N 399.451 0.395 0 50 GCAA CC(C)CN(C)C(=O)[C@]12COC[C@H]1CN(Cc1nc(O)c3cnn(C)c3n1)C2 1857686319 QNJFGAOSGKKWSR-BFUOFWGJSA-N 388.472 0.632 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)N2CCc3[nH]nc(C4CC4)c3CC2)C1 1857701639 XMJOEBZWVJNSFV-GFCCVEGCSA-N 387.527 0.842 0 50 GCAA Cc1ccc2oc(N3CCC(C(=O)NCCc4nnc(O)n4C)CC3)nc2n1 1857718613 MXYUPLGSGDUIFT-UHFFFAOYSA-N 385.428 0.941 0 50 GCAA CCS(=O)(=O)CCn1cc(C)c(=NC(=O)[C@@H](C)NC(=O)c2ccco2)[nH]1 1875263711 VMPFSJWUMDCWSM-GFCCVEGCSA-N 382.442 0.398 0 50 GCAA Cn1cc([C@H](N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)C(F)(F)F)cn1 1875398962 KKRNIGJSEMOOTQ-FZMZJTMJSA-N 386.378 0.289 0 50 GCAA CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[C@H](C(=O)NC3CC3)C[C@H]2O)cc1 1940197342 JAWVVHSUQVQVDH-IAOVAPTHSA-N 394.493 0.557 0 50 GCAA N=c1nc(N2CCC(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)[nH][nH]1 2325876550 ZEHDHLLOSMUJQQ-UHFFFAOYSA-N 383.412 0.269 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NCC[C@@H]4CCCN4)cccc3C2=O)C(=O)N1 2325895559 DAQNTFDESUYEIO-LRDDRELGSA-N 384.436 0.320 0 50 GCAA CC(C)N(Cc1nccn1C)C(=O)Cn1nnnc1CN1C[C@H](C)O[C@H](C)C1 20536501 YFLVYAGCVOXRJH-GASCZTMLSA-N 390.492 0.453 0 50 GCAA CNC(=O)c1noc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)n1 65508288 HWEJARFKILFZHO-JTQLQIEISA-N 382.380 0.898 0 50 GCAA CCCn1cnnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 72151161 FMWMZANVPBUKNG-INIZCTEOSA-N 388.447 0.834 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c(C)n2)cc1 72156302 HZSUMXLENLUMBJ-MRXNPFEDSA-N 386.456 0.519 0 50 GCAA CS(=O)(=O)c1cnc(N2Cc3cnn(CCO)c3C2)nc1[C@@H]1CCCNC1 72426718 KMPWBHLHOMFNQV-GFCCVEGCSA-N 392.485 0.056 0 50 GCAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]3C1=O 77343197 BSPILFCVUUQJCD-FPXQBCRKSA-N 396.509 0.462 0 50 GCAA Cn1ncc2c(=O)n(CC(=O)NC3CCN(Cc4ccncc4)CC3)cnc21 193981827 QCTYZUFGVSZOFH-UHFFFAOYSA-N 381.440 0.306 0 50 GCAA CN1CCCN(CC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 823778331 DARIHLPQCACLTJ-UHFFFAOYSA-N 390.484 0.500 0 50 GCAA COc1ccc(CCNC(=O)CN2CCC3(CC2)N=C(N(C)C)NC3=O)cc1 1506407967 ULFFPQSGZSAEPA-UHFFFAOYSA-N 387.484 0.236 0 50 GCAA CCn1cc(CN2C[C@@H]3CN(C(=O)c4cc(=O)cc(C)o4)C[C@@]3(CO)C2)cn1 1772805491 MBNCWHVAPQZFMT-OXQOHEQNSA-N 386.452 0.731 0 50 GCAA CC(C)c1nc(CN2C[C@@H]3CN(C(=O)CCn4cnnn4)C[C@@]3(CO)C2)co1 1772814246 PQJFRNAFUXSHHW-RDTXWAMCSA-N 389.460 0.128 0 50 GCAA CNC(=O)c1ccc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)nn1 1857738897 CXJLFSAUYPJJLF-IRXDYDNUSA-N 381.436 0.843 0 50 GCAA N=c1nc(C2CC2)nc(N2CCN(C(=O)c3cn4cc(CN)ccc4n3)CC2)[nH]1 1875279455 JBCXKJLZAPLGNU-UHFFFAOYSA-N 393.455 0.230 0 50 GCAA CNC(=O)C12CC(CNC(=O)c3ncn(C(C)(C)C)n3)(C1)OC21CCNCC1 1875393205 JBYOHQULFQSYDT-UHFFFAOYSA-N 390.488 0.180 0 50 GCAA O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 705008 TYZAROBTKWYEHS-OAHLLOKOSA-N 381.392 0.629 0 50 GCAA CCS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 34239479 BHOPGYBLLSFEGH-QCODTGAPSA-N 391.442 0.396 0 50 GCAA in-vitro CS(=O)(=O)N1CCCN([C@H]2CN(Cc3ccc4occc4c3)C[C@@H]2O)CC1 72433742 WBCHKTMHCUMGIU-ROUUACIJSA-N 393.509 0.945 0 50 GCAA Cc1ccc(C(=O)N2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 72447953 GIVHYRRDECSPFT-CVEARBPZSA-N 380.441 0.994 0 50 GCAA CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCNCC3)c2)CCO1 215407077 WOCAGPOMMJSBCM-INIZCTEOSA-N 381.498 0.922 0 50 GCAA CCN(C)S(=O)(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 216367209 CZRTUVYUHFGWKM-CQSZACIVSA-N 379.486 0.947 0 50 GCAA NC(=O)Cn1cc(C[C@@H]2NC(=O)N(Cc3ccc(F)cc3Cl)C2=O)nn1 275337740 REBSKLZVHWDLIM-LBPRGKRZSA-N 380.767 0.219 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)CC[C@H]2CCCOC2)CC1 328651020 VTOXTAITNBKJME-CYBMUJFWSA-N 376.475 0.530 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ccccc1=O 426746078 KHMXHGSYVVWHFC-SFHVURJKSA-N 382.464 0.745 0 50 GCAA COc1cc2c(cc1CNC(=O)N1CCN[C@H]3CS(=O)(=O)C[C@H]31)CCC2 534635245 FVWVIPFHTVUDLF-JKSUJKDBSA-N 379.482 0.464 0 50 GCAA Cc1cc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)C(C)C)C3)CC2)nc(N)n1 584896013 WQIADOIFCDMPJW-OAHLLOKOSA-N 389.504 0.846 0 50 GCAA C=CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 805362004 OXQRUIDJCHGEEW-CQSZACIVSA-N 379.482 0.985 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3C)C[C@H]2O)on1 1704340190 POOZSQKTIPCRRJ-MLGOLLRUSA-N 379.438 0.614 0 50 GCAA CCc1csc(CNC(=O)C2(OC)CCN(C(=O)Cn3cnnn3)CC2)n1 1857711506 CZKICYGGSIFXIB-UHFFFAOYSA-N 393.473 0.016 0 50 GCAA Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O 1875243261 YQCYYGSMYSFLSQ-USXIJHARSA-N 379.457 0.729 0 50 GCAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc3[nH]ccc13)C2 1875395973 RGRNESDOAVGPDE-AWEZNQCLSA-N 375.450 0.885 0 50 GCAA O=C(c1n[nH]c(-n2cnnc2)n1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 2100482671 QAYBLCORCBKGJA-CZUORRHYSA-N 390.407 0.609 0 50 GCAA CN1CC[C@H](O)[C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 2100545385 RVZYMCYGIFNYCS-SJORKVTESA-N 381.498 0.269 0 50 GCAA O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)[C@@H]2NC[C@@H](O)[C@H]2O)CC1 2325860795 UNUYVIUURHWEKH-RBSFLKMASA-N 385.823 0.350 0 50 GCAA COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C(F)(F)F)c1 1461604 NTGIMUMGGGJCBL-NSHDSACASA-N 389.330 0.922 0 50 GCAA CCn1ncc(NC(=O)c2nn(C)cc2I)c1C(N)=O 2776811 JOAOEBGASRLYJQ-UHFFFAOYSA-N 388.169 0.592 0 50 GCAA Cc1cc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCOCC4)CC3)C2=O)no1 4820911 UVZQSPYRCJWGMF-AWEZNQCLSA-N 376.413 0.186 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)c1OC 12597031 VKLQPHCQKPNVOB-HNNXBMFYSA-N 393.484 0.529 0 50 GCAA CN1CCN(c2ncccc2CNC(=O)[C@@H]2Cc3ccccc3C(=O)N2)CC1 67742250 SDTCKHNBMRLXMY-SFHVURJKSA-N 379.464 0.804 0 50 GCAA O=C([C@@H]1CC2(CCNCC2)CN1)N(CCN1CCOCC1)Cc1ccco1 72129443 IDCMZXKUVXTGLX-SFHVURJKSA-N 376.501 0.672 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2cccc(F)c2)C1 91997723 BFTMNXBJTJSFAN-ZDUSSCGKSA-N 382.417 0.606 0 50 GCAA O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCCN1C(=O)Cn1ccnc1 95501940 YOGUCSAFLXTKAE-MRXNPFEDSA-N 380.412 0.879 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc[nH]c1=O)CC2 95504002 WCQXJFFFOJGBFB-UHFFFAOYSA-N 385.424 0.261 0 50 GCAA CCOc1cc([C@@H]2N[C@](CC)(C(=O)OC)[C@@H]3C(=O)N(C)C(=O)[C@H]23)ccc1O 210073842 JCPDMLKSARPYRT-XLPNERPQSA-N 376.409 0.988 0 50 GCAA Cn1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299770912 RZHINLXFPNWCHC-QGZVFWFLSA-N 389.500 0.499 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(Cl)o2)CCO1 328602336 BEAUZRBZDDIFDF-VIFPVBQESA-N 380.806 0.120 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 363950324 SPRGQKZVOYDKOF-HNNXBMFYSA-N 380.470 0.029 0 50 GCAA CN1CCO[C@@H]2CN(C(=O)C3CCN(C(=O)COc4ccccc4)CC3)C[C@@H]21 378045318 IAZPIGWTMCQUSW-RBUKOAKNSA-N 387.480 0.845 0 50 GCAA O=C(NCc1ccc2nonc2c1)N1CCCO[C@H](CN2CCOCC2)C1 426369200 NCDHEWZBVYEOAW-OAHLLOKOSA-N 375.429 0.856 0 50 GCAA COCCn1cnnc1CCNC(=O)N1CCC(N2CCSCC2)CC1 426477567 MRZZNLHKNAKQRL-UHFFFAOYSA-N 382.534 0.690 0 50 GCAA CN=c1cc(-c2cccc(C(=O)NCCN3CCCC[C@@H]3CO)c2)nc(N)[nH]1 534576694 JJESMHLMBRDWQJ-MRXNPFEDSA-N 384.484 0.766 0 50 GCAA COCC(=O)N1C[C@H]2CN(C(=O)c3csc(C(C)C)n3)C[C@@]2(C(=O)O)C1 1565526900 DBNOLIDYYFDZOY-GTNSWQLSSA-N 381.454 0.898 0 50 GCAA COCc1noc(CNC(=O)[C@@]23CCCCN2C[C@@H](NC2CCOCC2)C3)n1 1875241059 NKYAXFZLFDAASY-KXBFYZLASA-N 393.488 0.598 0 50 GCAA Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@H](C(=O)N2CCN(C)CC2)C[C@H]1O 2100547392 ISLGHLYZNWLICI-USXIJHARSA-N 378.473 0.254 0 50 GCAA O=C1CC[C@H](N2Cc3cc(NS(=O)(=O)c4ccco4)ccc3C2=O)C(=O)N1 2325897130 PFGDJVCIHFTMOW-ZDUSSCGKSA-N 389.389 0.841 0 50 GCAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)CC1 55342640 JXSXULKMRJDYJZ-MRXNPFEDSA-N 392.456 0.707 0 50 GCAA NC1=NC(=O)C2(CCN(C(=O)c3coc(COc4cccc(F)c4)n3)CC2)N1 67540527 AGMONQSAWNPFPE-UHFFFAOYSA-N 387.371 0.812 0 50 GCAA CN(C)C(=O)CNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71763540 NGXVORGYRKUVQO-SFHVURJKSA-N 387.528 0.962 0 50 GCAA CCCCCCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)OC1=O 77425756 KBQHQEGJBLEZBQ-UHFFFAOYSA-N 380.489 0.812 0 50 GCAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91656139 JFCVAOQKTIULFX-SJORKVTESA-N 387.440 0.086 0 50 GCAA CCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc1 95376490 SSTNSEUGSVCLOT-AWEZNQCLSA-N 382.438 0.829 0 50 GCAA CC(C)n1cnnc1CN1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 95510620 QDILSFCQOIEQDJ-LSDHHAIUSA-N 381.502 0.469 0 50 GCAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CN2CCOCC2)CC1 96141011 PJZCIRONGYHIJE-UHFFFAOYSA-N 387.488 0.581 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2C)CN1C1CCOCC1 97743676 LYHLVVOWQTYQHP-YOEHRIQHSA-N 375.473 0.581 0 50 GCAA COCCn1nnnc1[C@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CCO1 97805493 TXFUBTNNLBXGRH-MRXNPFEDSA-N 383.412 0.923 0 50 GCAA CC(C)C(=O)N1CCn2nc(CNC(=O)CN3CC[C@@H](N(C)C)C3)cc2C1 299796302 PKAMOAYDMUDATF-MRXNPFEDSA-N 376.505 0.133 0 50 GCAA NC(=O)[C@H](c1ccccc1)N1CCN([C@@H](C(N)=O)c2ccccc2)C[C@@H](O)C1 371085115 DKHOYCQIMCNZKV-LDLYASANSA-N 382.464 0.418 0 50 GCAA CNC(=O)C[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccccc1 484874223 CDUKTQLRIJCHBN-OHIZHGFFSA-N 399.447 0.533 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2ccn(C(C)(C)C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073392530 NPLYWOFWNJNMQF-CABCVRRESA-N 396.513 0.848 0 50 GCAA Cc1c(S(=O)(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)cnn1C 1565512872 DFFJFORFINSUIM-GUYCJALGSA-N 377.422 0.980 0 50 GCAA O=C(Cn1cnnn1)N1CCCN(Cc2cc3c(cc2Cl)OCO3)CC1 1772705366 MRFSBVYGOXNCLJ-UHFFFAOYSA-N 378.820 0.790 0 50 GCAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@]2(CN(C)C)C1 1772709281 FEIQQMRNSWXMMV-JXFKEZNVSA-N 397.483 0.593 0 50 GCAA CCCOCC(=O)NC[C@@]1(C)CN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CCO1 1857532072 JEFSJKWETJGUSQ-GJYPPUQNSA-N 378.473 0.684 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2cnn(C)c2)C[C@H]1NC(=O)CCO 2100483188 XNNSWQIRRFAKFK-GVDBMIGSSA-N 380.489 0.541 0 50 GCAA Cc1ccnn1CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2ncc(F)cc2F)CCO1 2325879130 IZVBLPWLSVNZEV-IUODEOHRSA-N 393.394 0.911 0 50 GCAA CCc1noc(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325886696 FJYIOPICMJWPFM-ZDUSSCGKSA-N 397.391 0.323 0 50 GCAA OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O 12957072 NLRXQZJJCPRATR-OWYFMNJBSA-N 385.210 0.781 0 50 GCAA in-vitro CCC[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCN2C1=O 14537479 DTCCSXVGVZPNFZ-LSDHHAIUSA-N 379.482 0.803 0 50 GCAA O=C1C[C@H](C(=O)NCc2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961129 VWZMTQLGUOTSAC-ZDUSSCGKSA-N 383.408 0.349 0 50 GCAA O=c1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)[nH]c(=O)[nH]1 72154409 ZOGFASLODXFAJS-INIZCTEOSA-N 387.459 0.989 0 50 GCAA O=C(C[C@@H]1COCCN1C(=O)Cn1cnc2ccsc2c1=O)NC1CC1 72433076 DEBICELZKMIQPG-GFCCVEGCSA-N 376.438 0.354 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)NC1CCOCC1 72481617 PJAZIXPKLHEAJN-CQSZACIVSA-N 387.458 0.366 0 50 GCAA CCN(CC)C(=O)N1CC[C@H]2CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@H]21 82134700 LVMAKIXNWUSZKX-GOEBONIOSA-N 375.473 0.924 0 50 GCAA Cc1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCNCC3)cc2)n[nH]1 91452531 RLBVTPBXCIZXOV-UHFFFAOYSA-N 378.458 0.027 0 50 GCAA CN1CCN(C[C@@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@@H]2CO)CC1 91966148 UXQJFVNVQASNGJ-HZPDHXFCSA-N 381.904 0.902 0 50 GCAA CN1CCOC[C@@H](CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)C1 96163215 OKIBSNPBOHASCG-ZDUSSCGKSA-N 385.490 0.605 0 50 GCAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 100813468 UYCSCAFSVRPVEP-QGTPRVQTSA-N 399.447 0.875 0 50 GCAA O=C(Cn1cnc2cnccc2c1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 329319311 IOFWCBCZXHGWIK-AWEZNQCLSA-N 390.465 0.750 0 50 GCAA CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](Cc2nnc3ccccn23)C1 373352730 GNUFVAFXERRXEJ-ZDUSSCGKSA-N 379.486 0.838 0 50 GCAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)nc(N)n1 1506413692 LIKYXUSTYZEZMY-ZDUSSCGKSA-N 389.456 0.795 0 50 GCAA O=C(CCc1cnccn1)N1CCc2nc(C(=O)N3CCC[C@@H](O)C3)cn2CC1 1875242019 JHJIWHCGCNCLTQ-MRXNPFEDSA-N 398.467 0.288 0 50 GCAA O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)Nc1ccc2c(c1)COB2O 1875369023 VZMZSNQGFJUEAI-UHFFFAOYSA-N 388.192 0.685 0 50 GCAA CCCn1cc(C(=O)N[C@H]2C[C@H](C(=O)NC3CCOCC3)C[C@@H]2O)c(C)n1 1940194973 GGYBWWDRMNUSAW-JQFCIGGWSA-N 378.473 0.766 0 50 GCAA COCCn1cnnc1CCNC(=O)c1ccc2nnc(-c3cccn3C)n2c1 2100482801 ZWAJLGNKJAIDOJ-UHFFFAOYSA-N 394.439 0.945 0 50 GCAA C[C@H](COCC(=O)N1CCN(C(=O)c2nnn(C)c2N)CC1)c1ccccc1 2325828433 GYFRRGHHXMORND-CQSZACIVSA-N 386.456 0.502 0 50 GCAA CCn1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C(=O)NCC(C)C)n1 2804473 OTPBOSMCELBREW-UHFFFAOYSA-N 399.517 0.899 0 50 GCAA O=C(NCCCn1nnc2ccccc21)c1cn(CCN2CCOCC2)nn1 19781748 BEUSKAAUZUSBAJ-UHFFFAOYSA-N 384.444 0.175 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(F)cc3F)nn2)CN1 71315369 KRWKLDMXIXMMSB-RISCZKNCSA-N 379.371 0.527 0 50 GCAA CS(=O)(=O)CCN1CCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC1 91289534 UZGRUGUXOGLDKW-UHFFFAOYSA-N 378.454 0.585 0 50 GCAA CC(C)CN1CCn2nc(CNC(=O)[C@@H]3CSC(C)(C)C(=O)N3)cc2C1 91849111 HAYCJMGAUXPBQK-HNNXBMFYSA-N 379.530 0.981 0 50 GCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCN(CC)CC2)[C@@H]3C1=O 107109489 HETBPMMBQLMSNW-XLSPSMHOSA-N 377.485 0.359 0 50 GCAA COCCN1CCC(C(=O)OC(C)(C)C)(S(=O)(=O)N2CCNCC2)CC1 147411006 RYNMREHGKBTOKD-UHFFFAOYSA-N 391.534 0.044 0 50 GCAA CN(c1ccn(C)n1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CC1 239654279 BNFFKJCRDOBOBG-UHFFFAOYSA-N 384.483 0.934 0 50 GCAA COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 266544288 RBZZTMVJDJNTEZ-CQSZACIVSA-N 385.424 0.470 0 50 GCAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)n1 275340851 RSYCHQDBZIADMP-KRWDZBQOSA-N 392.437 0.787 0 50 GCAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)C1=O 298293887 IDWSCTNUAIKYBD-MGPUTAFESA-N 384.436 0.723 0 50 GCAA O=C(c1cnc(O)nc1O)N1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 426530653 XMKQTYVYECURHG-ADLMAVQZSA-N 376.413 0.679 0 50 GCAA C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CCS(=O)(=O)C1 1321966587 QLRQSBCXLPAECK-DIFFPNOSSA-N 379.438 0.248 0 50 GCAA COc1ccc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1OCC(=O)O 1704308699 HKVWDYIPRONJJL-GJZGRUSLSA-N 394.424 0.376 0 50 GCAA CCN1CCC(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)(N(C)C)CC1 1704347508 NWGWUTKDUZMBQT-MOPGFXCFSA-N 388.512 0.775 0 50 GCAA CCn1nccc1C(=O)NC[C@]12CCC[C@H]1CN(c1ccc3nnnn3n1)C2 1875313208 ZDJPNOFNUDSINT-UGSOOPFHSA-N 381.444 0.772 0 50 GCAA C[C@H](NC(=O)NS(=O)(=O)CCCCS(C)(=O)=O)C1CC(F)(F)C1 1875330809 CWGXGCVIRLBTFY-VIFPVBQESA-N 376.447 0.874 0 50 GCAA CC(=O)N1CCOC2(CCS(=O)(=NC(=O)[C@@H](C)Cn3ccnc3)CC2)C1 2325775905 AREKMSBQYDHQMS-VFUJPCTFSA-N 382.486 0.925 0 50 GCAA Cc1cnccc1N1CCN(C(=O)NCCn2ccn3nccc3c2=O)CC1 2325787587 JEYQLYNFTXQBFQ-UHFFFAOYSA-N 381.440 0.731 0 50 GCAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 3864710 WVNSXHZTOZDVNN-TZNOJPMFSA-N 375.424 0.258 0 50 GCAA Cc1cccc2nc(CCNC(=O)c3cn(CCN4CCOCC4)nn3)[nH]c12 19745908 BUEUDGLNWOMOFP-UHFFFAOYSA-N 383.456 0.768 0 50 GCAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](Cc1ccccc1)n1cnnn1)C2 67756502 CFFWEYVFCSEXRR-HNNXBMFYSA-N 381.396 0.474 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ncc[nH]1)CO2 71416081 ZCKRIOGYGJCYSV-AWEZNQCLSA-N 387.440 0.690 0 50 GCAA Cc1ncc(CN2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72473123 KINMONVUUMAIHU-DLBZAZTESA-N 376.486 0.300 0 50 GCAA COC(=O)N[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91871600 PGZXVMPKVWQFIQ-LBPRGKRZSA-N 377.445 0.776 0 50 GCAA Cc1nc(C)n(CCNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)n1 95523632 ALEIXHKEHHRALG-UHFFFAOYSA-N 381.462 0.935 0 50 GCAA COc1ccc(NC(=O)NCCc2nnc(N)s2)cc1NS(C)(=O)=O 96133595 CJNSHZWGOXYVLN-UHFFFAOYSA-N 386.459 0.865 0 50 GCAA N[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)C1 97259286 FEZRQHABBOZJIZ-OAHLLOKOSA-N 379.482 0.803 0 50 GCAA COc1cc(-n2cnnn2)ccc1NC(=O)NCCN1CCCC[C@H]1CO 97742634 XEMMMPCVPSSUQO-AWEZNQCLSA-N 375.433 0.639 0 50 GCAA CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCN(C[C@H]2CCCO2)CC1 248304419 MEOAQPLDKBMEMZ-CYBMUJFWSA-N 386.474 0.462 0 50 GCAA CCn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](N4CCNCC4)C3)ccc21 262335228 SBVZWLBJERQNGE-ZDUSSCGKSA-N 380.470 0.283 0 50 GCAA 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 265450375 KRCRFRLPVQRJKG-KEQNDAMKSA-N 386.429 0.438 0 50 GCAA Cc1cc(=NC(=O)Cc2ccccc2C(=O)O)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159170 KTLSZVHVTNAHSN-CYBMUJFWSA-N 377.422 0.852 0 50 GCAA COc1cc(N2CCN(C(=O)Cc3ccc(-n4cnnc4)cc3)CC2)ncn1 424772836 FGSVRMMRGWSHRN-UHFFFAOYSA-N 379.424 0.957 0 50 GCAA CCn1cnnc1[C@H](C)NC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 534660584 RICDKBJGBYPKAW-ZDUSSCGKSA-N 384.448 0.637 0 50 GCAA Cc1cc(C)n(CCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(=O)n1 827825782 QVUINZGRWABDTM-UHFFFAOYSA-N 396.444 0.582 0 50 GCAA CCN(CC)c1ccc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)cc1 1565525980 BWTLOPDHTIYQDT-ROUUACIJSA-N 376.501 0.786 0 50 GCAA Cc1cc(=N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)[nH]c(-c2ccccn2)n1 1857527858 KTNWSRMPNDWBID-AWEZNQCLSA-N 393.451 0.357 0 50 GCAA Cn1ccc(=NC(=O)CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)[nH]1 1857712613 RVMUZQAXHPLDOA-LPHOPBHVSA-N 376.432 0.208 0 50 GCAA COCC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857714287 OSOXQKPCARPZGO-UONOGXRCSA-N 393.415 0.460 0 50 GCAA O=C1CCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccc(Cl)c3)C2)CCN1 1875241397 CPSWGIVVOQBKAK-NUEKZKHPSA-N 393.871 0.948 0 50 GCAA Cn1nnc(=NS(=O)(=O)c2cccc(NC(=O)N3Cc4ccccc4C3)c2)[nH]1 1875339173 BZBOLFJMDNOKET-UHFFFAOYSA-N 399.436 0.981 0 50 GCAA C=CC(=O)N(CC)CC(=O)N(CC(=O)NC)C[C@@H](C)N1C[C@H](C)O[C@H](C)C1 1875386881 BTGPVCQQDFPVPR-OAGGEKHMSA-N 382.505 0.093 0 50 GCAA CNS(=O)(=O)c1cc(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)ccc1F 1875398355 MRUIPQBVFQFORS-NUEKZKHPSA-N 382.461 0.860 0 50 GCAA NC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 2325874135 BWYRYZCSNCODFR-JTQLQIEISA-N 379.631 0.871 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)cc1OC 14968925 DLCFUTUBRHNODA-OAHLLOKOSA-N 377.441 0.253 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cnc(OC)nc3)CC2)C1 67787124 GDIPNHIOCSZINV-QGZVFWFLSA-N 391.516 0.924 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC1CCOCC1)CO2 71771668 YCPCKHMMLSLZOO-INIZCTEOSA-N 391.468 0.945 0 50 GCAA CCc1cc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 72439138 RXANQGKXQIAPJX-KGLIPLIRSA-N 381.454 0.487 0 50 GCAA O=C(CN1CC2(CCNCC2)OC1=O)N1CCCO[C@H](Cn2cccn2)C1 95519176 BMAVOXLFJKJVBC-HNNXBMFYSA-N 377.445 0.075 0 50 GCAA COCCc1noc([C@H]2CCCN(C(=O)Cn3cccc(OC)c3=O)C2)n1 95524577 SENHPIWOIWEGPT-ZDUSSCGKSA-N 376.413 0.835 0 50 GCAA O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(Br)cc1 100050783 DYONQROCMJKJDK-CQSZACIVSA-N 382.258 0.691 0 50 GCAA CCN(C(=O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)c1ccccc1 169779255 QRJQNBVWQVRQTM-UHFFFAOYSA-N 379.438 0.539 0 50 GCAA O=C(c1cccc(O)c1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 213086127 NDRLJWSIIBGTJY-SJORKVTESA-N 375.425 0.760 0 50 GCAA CCOC(=O)c1cn(CCNC(=O)[C@H]2COCCN2CC(F)(F)F)cn1 253417837 OFNDCGOQNKXOJP-GFCCVEGCSA-N 378.351 0.439 0 50 GCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O 328608721 BBMJMVMYHKRGJL-SNVBAGLBSA-N 386.865 0.589 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)c3cccc(C(=O)N4CCCC4)n3)C2=O)cn1 329730047 PJZRFJIAGNFLHO-MRXNPFEDSA-N 382.424 0.586 0 50 GCAA O=C1CO[C@H](C(=O)N2CCCN(C(=O)c3ccoc3)CC2)[C@@H](c2cccnc2)N1 1529172451 MGXAPHWAWBDICW-MSOLQXFVSA-N 398.419 0.605 0 50 GCAA Cc1cc(NC(=O)N(C)[C@H]2CS(=O)(=O)C[C@@H]2O)ccc1N1CCCC1=O 1565508520 AQMFNSBOQJDKSM-GJZGRUSLSA-N 381.454 0.743 0 50 GCAA Nc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C1)CC2 1704335283 MMNRYGOJYWOLCJ-QGZVFWFLSA-N 395.485 0.380 0 50 GCAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(Cc4ccn(C)c(=O)c4)CC3)[C@@H]2C1 1775962924 XEDRSWMWTRCMMA-SJORKVTESA-N 388.468 0.791 0 50 GCAA CCCCc1nnc2n1C[C@@]1(CCN(C(=O)c3cc4n(n3)CCNC4=O)C1)OC2 1857694105 ARUGSRLUDOKOHT-IBGZPJMESA-N 399.455 0.376 0 50 GCAA CCn1c(=O)c(=N[C@@H]2CN(c3cc[nH]c(=NC)n3)C[C@@H]2OC)[nH]c2ccccc21 1875399710 HSYULIYZRBOZNX-ZBFHGGJFSA-N 395.467 0.408 0 50 GCAA COCC(C)(C)N(C)C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325887720 GVZQZMLEUOFQBE-OAHLLOKOSA-N 387.436 0.945 0 50 GCAA NC[C@H]1CC[C@H](NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325895995 OKOGBWFKZDMBEA-DCGLDWPTSA-N 398.463 0.695 0 50 GCAA Cc1nn(C)cc1Cc1nc(CC(N)=O)nn1-c1nc(C(F)(F)F)nn1C 2356152936 IRNSKCYQEVCHAR-UHFFFAOYSA-N 383.338 0.075 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 8654385 MMTIPYXAXCIFJB-UHFFFAOYSA-N 383.408 0.920 0 50 GCAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 20614981 ANGOTDSREWOGCP-UHFFFAOYSA-N 396.400 0.404 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)NCCSc1nnc[nH]1 23231846 ISAGGIINUGHEKS-AWEZNQCLSA-N 380.518 0.784 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 71754675 YLXLVHMHOLYFHR-QGZVFWFLSA-N 391.516 0.657 0 50 GCAA COc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)ncn2)c1 72115703 FBLGVJSOBQTIBR-UHFFFAOYSA-N 393.469 0.712 0 50 GCAA O=C([C@@H]1CCOC1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77353476 KZSNKHVODHBLMI-OAHLLOKOSA-N 380.466 0.629 0 50 GCAA COCCOCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 85534004 VGMYCUHKKOCZAU-KRWDZBQOSA-N 381.517 0.975 0 50 GCAA COc1ccc(CN2CCN(C(N)=O)CC2)cc1OC[C@H](O)CN(C)C(C)C 95499728 RTXMDOQFUKHETG-QGZVFWFLSA-N 394.516 0.971 0 50 GCAA Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)nc3)C2=O)cn1 182015592 CFZLYWUJYOCLLM-NSHDSACASA-N 389.359 0.918 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccncc2)C2CC(O)C2)cc1 223204630 XAYYAJMLYBEABB-VMBOVVBDSA-N 375.450 0.841 0 50 GCAA CCN1C(=O)[C@@H]2[C@H](c3ncc[nH]3)N[C@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O 249693044 NLBFUEDZBUMCGB-CJXDPKRBSA-N 398.419 0.535 0 50 GCAA O=C(CC[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)NCCN1CCOCC1 252551362 UCWYMOZAEJNHCN-MRXNPFEDSA-N 392.431 0.679 0 50 GCAA C[C@@H]1CN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)nc3)cn2)C[C@@H](C)O1 270574914 BSDFETYZIHHREX-VXGBXAGGSA-N 391.453 0.990 0 50 GCAA CNS(=O)(=O)c1cccc2c1CCN(Cc1nnnn1CC(F)(F)F)C2 284990062 YKEFPJMDJVUCKU-UHFFFAOYSA-N 390.391 0.702 0 50 GCAA CC1(C)N=C(O)N(CCN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)C1=O 328631102 KASRQSJFLTUOIC-NSHDSACASA-N 376.417 0.634 0 50 GCAA CC(C)n1cc([C@@]2(O)CCN(C(=O)CN(C)c3ncnc4[nH]cnc34)C2)nn1 375403341 LONZOLKZQRVFLB-QGZVFWFLSA-N 385.432 0.082 0 50 GCAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CCNS(C)(=O)=O)CC2 1857695296 CWGGOXNFZYXZKW-UHFFFAOYSA-N 376.482 0.954 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccccc3-n3cncn3)C[C@H]2CO1 1857732665 ZZIZPXMJCGJWTR-JYJNAYRXSA-N 398.467 0.317 0 50 GCAA CN=c1ncc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccc(OC)c(OC)c2)c[nH]1 1857738112 ROLPUTXQQQHCHJ-IRXDYDNUSA-N 388.424 0.532 0 50 GCAA Cn1cc(CN[C@H]2CCCN(CCN3CCOCC3)C2)c(-c2ccnn2C)n1 1875283851 FJLVNXSMFIMKLX-SFHVURJKSA-N 387.532 0.707 0 50 GCAA C/C(=C\C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C[C@H](O)C1)C(C)(C)C 2325878052 CWQLQYZLKLJHGJ-CWFABOFTSA-N 394.516 0.990 0 50 GCAA Nc1ncccc1C(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896278 VLWLUJSUNNXNRL-HNNXBMFYSA-N 393.403 0.355 0 50 GCAA O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1cc(=O)[nH]c(=O)[nH]1 72166727 COLNQLWBLYABJY-CQSZACIVSA-N 378.388 0.747 0 50 GCAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(CCO)Cc1cnn(C)c1 72429623 UVTLLRQJUJUKAZ-GOSISDBHSA-N 377.533 0.937 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc3nonc13)CCN2Cc1ncc[nH]1 72481148 AGVUXIAMXIFGNA-LSDHHAIUSA-N 388.453 0.429 0 50 GCAA COCC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 97572259 LWYDNSJNSZYPNU-KRWDZBQOSA-N 375.469 0.921 0 50 GCAA O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCCN1CCOCC1 170625217 XOAUEDQOYZLCJY-HNNXBMFYSA-N 378.404 0.085 0 50 GCAA CN(CCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)S(C)(=O)=O 229886192 GWVVSEHULWHCLT-GOSISDBHSA-N 395.573 0.807 0 50 GCAA COC(=O)c1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc(C(=O)OC)c1 250365090 JACVYRBSDVAZRZ-AAVRWANBSA-N 375.333 0.853 0 50 GCAA COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 261606168 DNAICXUFHDGPGE-JTQLQIEISA-N 377.440 0.584 0 50 GCAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCC(O)(c3cccnc3)CC2)n1 426580604 AAMFFJJTCVGFGL-OAHLLOKOSA-N 385.468 1.268 0 50 GCAA NC(=O)Cn1cc(-c2cccc(C(=O)NCCN3CCCC[C@@H]3CO)c2)cn1 534585822 LFEUPLLHBAIVEX-GOSISDBHSA-N 385.468 0.612 0 50 GCAA Cc1nc(O)nc(O)c1CC(=O)NCCN1N=C(c2ccccc2)CCC1=O 952969123 HUKGGZDXJJDUTA-UHFFFAOYSA-N 383.408 0.882 0 50 GCAA Cc1cc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2C2CCN(C)CC2)CO3)n(C)n1 1772805493 MEORYIVJIFHQCI-FQEVSTJZSA-N 399.499 0.944 0 50 GCAA COCCn1nc(CC(N)=O)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857675166 MPBXBIVAOYMGJF-CYBMUJFWSA-N 399.455 0.948 0 50 GCAA COc1cc(F)ccc1C(=O)N[C@H]1CC[C@H](C(=O)NCC(N)=O)C[C@@H]1OC 1875243086 PEGQPICODWDASQ-XEGUGMAKSA-N 381.404 0.349 0 50 GCAA CNC(=O)CN1CCC(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875393851 NEPDJADPWYGJHW-QWHCGFSZSA-N 377.489 0.962 0 50 GCAA O=C(N=c1nc2nccc(C3CC3)n2[nH]1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 1940198448 VIASITNEGMFRNI-CQSZACIVSA-N 377.408 0.806 0 50 GCAA CCOC(=O)N1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1 14996398 JWPBSXOIIXBDCK-UHFFFAOYSA-N 386.412 0.831 0 50 GCAA O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1 19852878 GVDCJRSHGFLARB-UHFFFAOYSA-N 396.875 0.881 0 50 GCAA Cc1c(O)cccc1C(=O)N1CCn2nc(C(=O)N3CCN(C)CC3)cc2C1 65430935 PHRDVBQQSPBVNP-UHFFFAOYSA-N 383.452 0.941 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CCN(C)CC4)cc3)nn2)CN1 67756415 RWIUBLIVEABZQM-ROUUACIJSA-N 383.500 0.342 0 50 GCAA CCCCC(=O)N1CCN(C(=O)CCn2cccn2)[C@H]2CS(=O)(=O)C[C@H]21 82139120 ZPAMIWLQIZQUMF-CABCVRRESA-N 382.486 0.300 0 50 GCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(CC(=O)N1CCOCC1)C2 95521598 WJMVEBPWSZGXCN-JKSUJKDBSA-N 376.457 0.573 0 50 GCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@H]5[C@]16CC[S@@](=O)CC[C@]56[C@@H]2[C@@H]34 247337933 RJOVTMHCDKITPS-RVYIXMKYSA-N 381.457 0.931 0 50 GCAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)[C@@]1(O)CCSC1 328622611 BJPQMVKZGHHYFV-GDZNZVCISA-N 383.493 0.786 0 50 GCAA COCCc1noc([C@@H]2CCCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)C2)n1 952969766 GTYGTXFHXWSMPS-KGLIPLIRSA-N 379.461 0.162 0 50 GCAA CN1C(=O)[C@@]2(CCCN(C(=O)c3c[nH]nc3-n3cnnn3)C2)c2ccccc21 1506419575 FYBJAOGIGZNLSI-GOSISDBHSA-N 378.396 0.536 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(O)(CN(C)C)CC2)OCC(=O)N1C 1529188742 AZSMKIBWAROYJE-MOPGFXCFSA-N 389.496 0.808 0 50 GCAA Cc1ccc(C)c(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704299555 RJSJMMALKZJOEZ-KBPBESRZSA-N 376.500 0.488 0 50 GCAA Cc1nn(CCO)cc1CN1C[C@H]2CN(C(=O)CC3=CCCC3)C[C@@]2(CO)C1 1772816316 NFYSXCWIAGBDNF-PZJWPPBQSA-N 388.512 0.937 0 50 GCAA COCCn1nnc([C@H]2CN(CC(=O)NCCc3ccc(F)cc3)CCO2)n1 1857718379 HBDLHTNWCKYFHE-MRXNPFEDSA-N 392.435 0.191 0 50 GCAA NCc1nc(C2CCN(C(=O)c3nnn([C@@H]4CCNC4)c3C(F)F)CC2)n[nH]1 1875309611 FFTHIGWULTZKRO-SNVBAGLBSA-N 395.418 0.347 0 50 GCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@H]2CCCCn3nnnc32)CC1 1940198176 SFQUBLCOHSQGNX-LBPRGKRZSA-N 384.444 0.355 0 50 GCAA CN(C[C@@H](O)CNC(=O)c1cccc(N(C)C)c1)C(=O)[C@]1(C)CCNC(=O)C1 2325826695 JUKNZPHJKSVQPD-OXJNMPFZSA-N 390.484 0.218 0 50 GCAA Cc1cccn2c(F)c(C(=O)N3CCn4nc(C(=O)NCCO)cc4C3)nc12 65375019 DJLQILSJHMRFET-UHFFFAOYSA-N 386.387 0.356 0 50 GCAA CC(C)CN1CCN(C(=O)c2sccc2S(N)(=O)=O)C[C@@H]1CCO 72432376 QZGIFBKNCYBXJG-LBPRGKRZSA-N 375.516 0.560 0 50 GCAA CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)CO)CC2)OC1=O 77555628 IEEIFRZHJATIOV-UHFFFAOYSA-N 375.469 0.967 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(CO)o1)CC2 95499348 NYKOYXDBYOKLHR-UHFFFAOYSA-N 388.424 0.658 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccn3nnnc3c1)CC2 95504365 NWLCWYCVKNMBTF-UHFFFAOYSA-N 394.439 0.774 0 50 GCAA CCS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95518727 YKVWYSRVZSVZEE-UHFFFAOYSA-N 394.497 0.457 0 50 GCAA CCn1nc(C)c([C@@H](C)NC(=O)Cn2nnnc2CN2CCOCC2)c1C 95519765 LNBJPTIAKVUETE-GFCCVEGCSA-N 376.465 0.216 0 50 GCAA CC(C)[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H]1NS(C)(=O)=O 95529032 PMPFNEHHWHYMGU-GOEBONIOSA-N 392.481 0.429 0 50 GCAA COc1ccc([C@@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)N(C)S(=O)(=O)N2)cc1 248259457 VGKMOSDMXKVZKV-PMPSAXMXSA-N 383.470 0.570 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)cc1 275298375 MNZAJINEYNKDPC-QGZVFWFLSA-N 392.437 0.589 0 50 GCAA O=C1NC[C@H]2CN(Cc3nc4ccc(Br)cc4o3)CCN2C1=O 329803083 JOIAIGRIPSPERB-JTQLQIEISA-N 379.214 0.733 0 50 GCAA CN1C[C@@H](C(=O)N2CCC(CNS(C)(=O)=O)CC2)c2ccccc2C1=O 367721037 NHMISCKBLUKLHJ-MRXNPFEDSA-N 379.482 0.644 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)N=c1cc[nH]cc1 408514335 HIDGEYVOKGJUQY-UHFFFAOYSA-N 385.467 0.354 0 50 GCAA Cc1ccc2nc(O)cc(C(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2c1 1529179984 AGXVTAYQHGKUDJ-BLLLJJGKSA-N 393.465 0.573 0 50 GCAA CC(=O)N1CC2(C1)[C@H](C(=O)N(C)Cc1c(F)cccc1F)CCS2(=O)=O 1875396259 ZYZINNDCSGKHDB-ZDUSSCGKSA-N 386.420 0.959 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NS(=O)(=O)Cc3ccccc3F)C2)cc[nH]1 1875400371 XMHPFVCXFFXUOA-CABCVRRESA-N 395.460 0.403 0 50 GCAA O=C1C[C@H]2CCCCN2CCCN(C(=O)CCn2cnnn2)CCCCN1 2100533729 XHNYEOAXOBPWSS-MRXNPFEDSA-N 377.493 0.437 0 50 GCAA Cn1nnnc1[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CCO1 2356149489 CZQIHFXROXLSFN-HNNXBMFYSA-N 385.428 0.057 0 50 GCAA COc1cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CN)cc2ccccc12 4544907 CMXOJPNFUOTQBY-OAHLLOKOSA-N 386.456 0.494 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)NCCCn1ncc2ccccc21 19641621 ARUXGGUXWCFYOD-UHFFFAOYSA-N 398.471 0.452 0 50 GCAA Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 20026489 MSFJLIZJUHHXOW-UHFFFAOYSA-N 383.452 0.623 0 50 GCAA O=C1NCCN1CCNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67654516 LRIUKEPCWXFJPE-GOSISDBHSA-N 382.411 0.433 0 50 GCAA O=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N(CCO)CCO 71751392 GIEAWIIENQBMFV-IBGZPJMESA-N 390.528 0.571 0 50 GCAA NC(=O)c1noc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 91391135 DKIHBDRLZFTLJC-UHFFFAOYSA-N 384.440 0.968 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1nccc1C)CC2 95501946 KTZYFHNJEXCZDH-UHFFFAOYSA-N 386.456 0.464 0 50 GCAA O=C(NCC1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1)[C@H]1CCCO1 952976596 NJTAULIXLSGHCT-MRXNPFEDSA-N 393.463 0.964 0 50 GCAA Cc1cccc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3C(=O)CN2C(=O)CNC2=O)c1C 1857695255 BFKPBPBSWRJROZ-TXPKVOOTSA-N 398.463 0.708 0 50 GCAA O=C(c1ccc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1)N1CCOCC1 1857730090 YEKAKCSVISHLIH-UTKZUKDTSA-N 399.447 0.722 0 50 GCAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857731033 IGDQILXGDVVGKX-BEFAXECRSA-N 384.440 0.624 0 50 GCAA CS(=O)(=O)c1ccc(CCNC(=O)N2CCC(n3cnnc3O)CC2)cc1 1875267497 MIANENMFLNGVLV-UHFFFAOYSA-N 393.469 0.976 0 50 GCAA COc1ccc2c(c1OC)CN(C1=CC(=O)N([C@@H]3CCC(=O)NC3=O)C1=O)CC2 2325900239 QNZKXNGTPLCMKF-CYBMUJFWSA-N 399.403 0.120 0 50 GCAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2Cc1cc(=O)n2[nH]cnc2n1 2356169145 MLISXPAOXYDOGZ-HXUWFJFHSA-N 393.451 0.970 0 50 GCAA Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H]([C@H](C)O)C(=O)N2C1 14750028 IVQKEHOHWIUJPP-DTCNJJKHSA-N 380.832 0.619 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)C3CCOCC3)C2)nn(CCN(C)C)c1=O 67675099 BZGPIXQCHGBHON-MRXNPFEDSA-N 379.505 0.759 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2scnc2C)CN1Cc1nc(C)no1 96141741 IMRYDTGVQAANMW-RYUDHWBXSA-N 378.458 0.652 0 50 GCAA Cn1c(CO)nnc1[C@@H]1CCCN(CC(=O)NCCc2ccc(F)cc2)C1 244795346 REQBOECLRWSVGY-OAHLLOKOSA-N 375.448 0.985 0 50 GCAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 275322311 PEYKVGNYHQCBAM-SWLSCSKDSA-N 392.437 0.815 0 50 GCAA Cc1n[nH]c(C2CC2)c1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299780180 AIYGTGBYJPKVOA-UHFFFAOYSA-N 378.458 0.497 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)ccc1OC 823833489 UERMAALXFYDDDT-ZDUSSCGKSA-N 397.497 0.980 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NC2CCN(C)CC2)cc1OC 1529197169 LFMQBNVPKGAPRU-MSOLQXFVSA-N 377.441 0.470 0 50 GCAA O=C(CN1CCC2(CC1)C[C@@](O)(CO)CCO2)NCCc1ccc(F)cc1 1704337256 YRXDXKATADQNMX-LJQANCHMSA-N 380.460 0.853 0 50 GCAA O=C1CCc2cc(S(=O)(=O)N3C[C@@H]4COCC[C@]4(C(=O)O)C3)ccc2N1 1772707332 YGMHPBXGRDUWCX-PXAZEXFGSA-N 380.422 0.683 0 50 GCAA CN1CCCN(C[C@H](O)C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 1857716810 FPJXHDJDXISJAJ-SFHVURJKSA-N 375.517 0.749 0 50 GCAA Cc1nc2cc(N3C[C@@H](C(=O)N[C@H]4CCC(=O)NC4=O)CC3=O)ccc2s1 1857798170 SEGYIBNFIADCDG-JQWIXIFHSA-N 386.433 0.879 0 50 GCAA Cn1ncnc1CCNC(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356147467 XSXNVYDDQNCVET-RCDCFZSISA-N 380.452 0.806 0 50 GCAA OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 4098633 HSTZMXCBWJGKHG-CUYWLFDKSA-N 390.388 0.447 0 50 GCAA endogenous,fda O=C(NC1=NN(c2ccccc2)C(=O)[C@]1(O)S(=O)(=O)O)c1ccccc1 57311674 WTFGMAMOGGWVRQ-MRXNPFEDSA-N 375.362 0.353 0 50 GCAA COc1cc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c(OC)cc1Cl 65364693 RUWFHWWBJHVKPH-UHFFFAOYSA-N 392.861 0.982 0 50 GCAA Cc1nc(C2CCN(C(=O)[C@H]3CNCCO3)CC2)cc(N2CCOCC2)n1 72408356 ZPZOQAPMJRBKCR-QGZVFWFLSA-N 375.473 0.316 0 50 GCAA O=C(Cn1cccnc1=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95503409 IXXBBHBZJOKDFA-UHFFFAOYSA-N 396.451 0.279 0 50 GCAA Cc1cc(C)n(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)c(=O)n1 95511352 RJJCZAJXNRXXQN-FUHWJXTLSA-N 395.463 0.905 0 50 GCAA COc1cccc(CC(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)c1 96140609 NNFWLAHBJZQSFZ-LIRRHRJNSA-N 375.425 0.764 0 50 GCAA COCC(=O)N1CCC(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 97463671 WYGRORSGWXQZKD-KRWDZBQOSA-N 377.416 0.710 0 50 GCAA O=C(Cc1ccccc1)N1CCN(C(=O)C2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 213411267 BMIOGXMRSQAYNM-SJORKVTESA-N 376.478 0.866 0 50 GCAA Cc1cc(C)n(CC(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)n1 276637460 XMBBMOSCUOFJJD-MRXNPFEDSA-N 387.488 0.794 0 50 GCAA CCn1cc(CN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)C(C)C)cn1 823986256 IYISFPLJUAPENT-UHFFFAOYSA-N 380.474 0.784 0 50 GCAA C[C@@H](NC(=O)N1CCN(c2nncn2C)CC1)c1nnnn1-c1ccccc1 888093869 BIZFYQYHTOCSGF-CYBMUJFWSA-N 382.432 0.384 0 50 GCAA Cc1nc2ccccn2c1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 890854836 KRLQMRYSNCLQAT-INIZCTEOSA-N 385.468 0.440 0 50 GCAA O=C([C@@H]1COc2ccc(F)cc2C1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1330255565 UWXRJCOIPQELQF-IFXJQAMLSA-N 378.400 0.765 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 1704328186 YTKQEZPOYYFIEE-WDEREUQCSA-N 381.376 0.737 0 50 GCAA Cc1cccc(CCN2CCCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)n1 1772700293 BUPNUTHVHVFAFW-QGZVFWFLSA-N 387.484 0.749 0 50 GCAA O=C(c1onc2ncccc12)N1CCCN(S(=O)(=O)N2CCCC2)CC1 1775981335 KQLGWMOPDCLKTJ-UHFFFAOYSA-N 379.442 0.711 0 50 GCAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2c(n1)CCNCC2 1857726564 XHTLHNILHRTXJE-ZDUSSCGKSA-N 392.485 0.454 0 50 GCAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1ncccn1 1250997 NANRDHMGNGOEQN-UHFFFAOYSA-N 383.231 0.768 0 50 GCAA CCn1nccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 6635152 VBZRGHCAAUSNCU-ZIAGYGMSSA-N 394.501 0.915 0 50 GCAA CCS(=O)(=O)N(CC(=O)NC1CCN(C)CC1)c1ccc2c(c1)OCO2 65363163 XRAXJNAFMHJPLH-UHFFFAOYSA-N 383.470 0.782 0 50 GCAA NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)C(=O)c2ccco2)C3)cc1 67713578 IZYMDRXQIOQKHE-UHFFFAOYSA-N 392.371 0.896 0 50 GCAA CN(Cc1nncn1C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71721403 GDPCOKVILRNNDS-MRXNPFEDSA-N 388.516 0.887 0 50 GCAA CCCc1nnc(C(=O)N2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)o1 71763100 POKBZXCFPLFFLX-IBGZPJMESA-N 383.408 0.638 0 50 GCAA O=C([C@@H]1CNC[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1)N1CCOCC1 91535983 XIRBRCLSMFQBTH-CVEARBPZSA-N 375.473 0.200 0 50 GCAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91997561 VRYZMOSHFBQAHO-IBGZPJMESA-N 376.457 0.568 0 50 GCAA COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 95520066 LOFICQFEZWNDGP-SFHVURJKSA-N 379.501 0.515 0 50 GCAA Cc1c([C@@H](C)NC(=O)CCCn2nnnc2CN2CCOCC2)cnn1C 95523094 VADIAUCYNTWIGP-CYBMUJFWSA-N 376.465 0.205 0 50 GCAA O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)N[C@H]1CCNC1=O 223636014 PWTDCQPYJBOMQY-KRWDZBQOSA-N 376.416 0.992 0 50 GCAA CO[C@@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]5[C@H]([C@@H]6CC[C@@H]7O[C@@H](OC)[C@@](O)([C@@H]5[C@H]76)[C@H]34)[C@]21O 247885367 RJJXWMZYJXNNPT-KJOLCGJFSA-N 390.476 0.995 0 50 GCAA Cn1c(O)nc(=O)c2nc(CCC(=O)Nc3ccccc3C(=O)O)c(O)nc21 253630342 AUMCRJKTPKAIFN-UHFFFAOYSA-N 385.336 0.404 0 50 GCAA CC(C)C(=O)N1CCn2nc(CNC(=O)[C@H](C)CN3CCOCC3)cc2C1 299781494 LIQJZJNTEAIMDY-OAHLLOKOSA-N 377.489 0.466 0 50 GCAA O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN2C(=O)N=C(O)[C@@H]2C1 329417040 FYBFXFWXEIAUOW-ZANVPECISA-N 378.335 0.921 0 50 GCAA CCCS(=O)(=O)N1CCC2(CC1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 822992414 BTUPLQNRIHJARO-HNNXBMFYSA-N 399.517 0.347 0 50 GCAA CN(Cc1ccccc1)S(=O)(=O)N1CCC(N2CCN(CCO)CC2)CC1 952977048 OPQFJOPFBTVBJW-UHFFFAOYSA-N 396.557 0.438 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCn1c(O)nc2ccccc21 1704339093 DBZZBURISVSRCQ-JSGCOSHPSA-N 396.469 0.155 0 50 GCAA CO[C@H](C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cc1c(C)nc(O)nc1O)C1CC1 1775991166 IYNUEBMVJKOEFS-WWGRRREGSA-N 390.440 0.366 0 50 GCAA Cc1nc(C(=O)N2CCN(C)C(=O)C2(C)C)nc(N2CC[C@@H](N(C)C)C2)c1C 1857532912 LCFMBWBUUGOJRT-OAHLLOKOSA-N 388.516 0.927 0 50 GCAA CN1CCn2nc(C(=O)N[C@@H]3CC(=O)N(CCc4ccccc4)C3)cc2C1=O 1857674885 BREZQBSWOGKVPP-OAHLLOKOSA-N 381.436 0.542 0 50 GCAA N=c1[nH]c(CCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)cs1 1857692457 FUJGKXCEPWKTEY-SIXWZSSISA-N 393.557 0.695 0 50 GCAA O=C(COc1ccc2nncn2n1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857733202 ZHKDWLNSJUUWJA-IAGOWNOFSA-N 394.435 0.787 0 50 GCAA CCS(=O)(=O)N1CCC(NC(=O)NCc2cccc(CNC(C)=O)c2)CC1 1875253568 PCNSHOZMXOWXNL-UHFFFAOYSA-N 396.513 0.936 0 50 GCAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cc2c(cn1)OCCO2 1875397697 KSLYJBNSAFYGIJ-WMLDXEAASA-N 386.456 0.702 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)c2ccc(Cl)cn2)[C@H]2CS(=O)(=O)C[C@H]21 72463645 AMISCGJKZRGSTJ-KGLIPLIRSA-N 385.873 0.841 0 50 GCAA C[C@H](NC(=O)c1cccc(S(=O)(=O)NCCCCO)c1)c1cnn(C)c1 95378994 SAYPEFGKGLAPON-ZDUSSCGKSA-N 380.470 0.962 0 50 GCAA O=C(NCc1nnnn1-c1ccccc1)[C@H](c1cccnc1)N1CCOCC1 95520188 WEABQGUPVZHHCK-SFHVURJKSA-N 379.424 0.747 0 50 GCAA COCC(=O)N1CC[C@@H](Nc2cc(C(F)(F)F)nc(N(C)C)n2)[C@H](O)C1 299776664 CFDIUIMWMSBBLZ-NXEZZACHSA-N 377.367 0.582 0 50 GCAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 408516341 LCGJFSVZTKRXDA-YFSSQWDJSA-N 376.453 0.716 0 50 GCAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)c1OC 478001486 UORJPDISFAVUGJ-CYBMUJFWSA-N 375.425 0.514 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCC(OC)CC2)cc1OC 1529099936 ISJOEEPXBFCIKX-MSOLQXFVSA-N 378.425 0.897 0 50 GCAA CC(C)=CC(=O)N1CCN([C@@H]2CCCN(C(=O)C[C@H]3CCC(=O)N3)C2)C(=O)C1 1775989778 RSIPBGLTZILQJA-HZPDHXFCSA-N 390.484 0.283 0 50 GCAA Cc1noc(C)c1C(=O)N1CC[C@]2(C1)Cn1c(nnc1Cn1cccn1)CO2 1857685760 SFHMZZFRVGXTCS-SFHVURJKSA-N 383.412 0.943 0 50 GCAA Cc1nsnc1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857716735 QKJZODDNDPPKBB-QWRGUYRKSA-N 380.451 0.801 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857730681 UOWIKWBANITHNN-RKVPGOIHSA-N 393.465 0.227 0 50 GCAA COCC(=O)NCC1[C@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@H]12 1875330030 KIMJGGLZAXHDBG-CHWSQXEVSA-N 380.470 0.202 0 50 GCAA Cn1cc(C(=O)NC[C@@H](NC(=O)c2nc[nH]c3ncnc2-3)C(C)(C)C)nc1O 1875344112 DSNIIURGYYPQLV-SNVBAGLBSA-N 386.416 0.318 0 50 GCAA CCO[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cn(C[C@@H](O)CC)nn2)C1)C(C)C 2325827305 BQQYNZJZUOKIKQ-IJEWVQPXSA-N 381.477 0.441 0 50 GCAA CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763371 ABZLHWFIQIXUGG-GUYCJALGSA-N 393.440 0.733 0 50 GCAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 12438978 FWVUSLKSWBBRNH-IBGZPJMESA-N 398.507 0.991 0 50 GCAA O=C(c1cc(F)c(F)cc1F)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14532459 SUABTOAHVVTPTH-OLZOCXBDSA-N 385.367 0.672 0 50 GCAA CCN1Cc2nc(OC)c(CNC(=O)c3nnc4nc(C)ccn34)cc2C1=O 71403963 WKSKSBFVMNJZLI-UHFFFAOYSA-N 381.396 0.742 0 50 GCAA O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1 91526473 BHEKOXCPIZWKTM-OAHLLOKOSA-N 378.454 0.840 0 50 GCAA CN1C(=O)[C@H](CC(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)N(C)C1=O 91829875 VGSQSPKXNKWZOX-JTQLQIEISA-N 387.352 0.364 0 50 GCAA CCc1noc(CNS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)n1 95367440 HYQLOMCYVHCTSW-UHFFFAOYSA-N 380.426 0.583 0 50 GCAA O=C(c1cccc(S(=O)(=O)NCCCn2ccnc2)c1)N1CCOCC1 95391189 RDMPEVFXAXJGOD-UHFFFAOYSA-N 378.454 0.724 0 50 GCAA CCOCCCN1CC[C@H](N[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 222336839 KAXRWMBPXYSZTP-LNLFQRSKSA-N 382.549 0.792 0 50 GCAA COc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1C(=O)N(C)C 952983832 RDHSKOWQRDZELS-UHFFFAOYSA-N 398.467 0.948 0 50 GCAA CCOC(=O)N1CCC(N2C[C@H]3CN(Cc4nccn4C)C[C@@]3(CO)C2)CC1 1772702028 IVGDDFZXZHTVFY-UZLBHIALSA-N 391.516 0.767 0 50 GCAA CN1C[C@H](NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O 1857711600 ILRHKEOJVGXBMD-JTQLQIEISA-N 381.483 0.196 0 50 GCAA O=C1Nc2ccc(S(=O)(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4)c3cccc1c23 1875250350 QWTJHIAWQMSZCH-MNOVXSKESA-N 387.417 0.541 0 50 GCAA COc1c[nH]c(C(=O)N[C@@H]2C[C@H](C(=O)NCc3ccccc3C)C[C@H]2O)cc1=O 2100537108 ISIRJEOANLKNFS-ZMSDIMECSA-N 399.447 0.878 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCCn2ccnc2)cc1OC 2100547899 REQPRJHGGASSDX-MSOLQXFVSA-N 388.424 0.663 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O)c1ccn2ncnc2c1 2100557686 ZGWBVMYVBXYQLH-JYJNAYRXSA-N 397.439 0.002 0 50 GCAA O=C1CC[C@H](CCC(=O)NS(=O)(=O)c2ccc(Br)cn2)N1 2325851654 FULLTCPWJIZKGZ-SECBINFHSA-N 376.232 0.708 0 50 GCAA O=C1CCC2(CCN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)CC2)N1 2356137522 OKDJFDDNKVYURM-MOPGFXCFSA-N 398.463 0.784 0 50 GCAA NC(=O)CN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)c1ccncc1F 2356144914 RRLHCJQLMDESPI-STQYRHOTSA-N 398.438 0.512 0 50 GCAA COc1cc(CNCCc2cn[nH]c2)ccc1OC[C@@H](O)CN1CCOCC1 23339682 LGWOKEFBBWFLFZ-SFHVURJKSA-N 390.484 0.823 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NC(CO)CO 72134640 IYABEGAMCWLXEM-FQEVSTJZSA-N 397.475 0.514 0 50 GCAA Cc1nc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)o1 77287996 VESDGLPCQXZROS-KGLIPLIRSA-N 381.454 0.542 0 50 GCAA CNC(=O)CCc1ccccc1NC(=O)N1CCN(c2ncc[nH]c2=O)CC1 97601001 XAETXNNICPMUMN-UHFFFAOYSA-N 384.440 0.803 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2cc(C3CC3)no2)[C@@H]2CS(=O)(=O)C[C@@H]21 222071004 RFCMRIPMOYDSDU-OLZOCXBDSA-N 382.442 0.157 0 50 GCAA COc1cc2nc(N3CCC4(CC3)NC(=O)N(C)C4=O)nc(N)c2cc1OC 277054766 QTVYTJPCYSKANK-UHFFFAOYSA-N 386.412 0.750 0 50 GCAA O=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1nnc2n1CCCC2 299771162 UHFCCLVYDHHZLM-UHFFFAOYSA-N 381.502 0.386 0 50 GCAA CCn1c(C)ccc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1=O 299780731 CIKZYAPEYDPRRQ-FORWCCJISA-N 376.453 0.805 0 50 GCAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@@H]5CCCN(C(N)=O)C5)(C4)C2)C3)n1 952979914 GIRUKOUBMCAUGM-CHIWXJOUSA-N 387.488 0.936 0 50 GCAA CC(C)n1c(CNC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)nc2ccccc21 1565529764 ZUHJNKGBYZDHDX-ZBFHGGJFSA-N 391.497 0.898 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3C)C[C@@H]2O)n[nH]1 1704298396 JCVJWBXTBZDCTK-WBMJQRKESA-N 378.454 0.350 0 50 GCAA CNS(=O)(=O)CCNC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704331711 TYEUNBYQUSIVKS-UHFFFAOYSA-N 394.453 0.457 0 50 GCAA Cc1cnn(CCCN2C[C@H]3CN(C(=O)c4cnc(C)cn4)C[C@@]3(CO)C2)c1 1772705848 BEHOKSUSDCGYPO-FXAWDEMLSA-N 384.484 0.747 0 50 GCAA CCn1nc(C(=O)N2CC3(C2)[C@H](C(=O)N(C)C)CCS3(=O)=O)cc1C1CC1 1857527970 NOKSLCLVTPAZLX-ZDUSSCGKSA-N 394.497 0.498 0 50 GCAA CN1CCC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3cccc(O)n3)C[C@H]12 1857686496 YYWLWTDGNWDBRG-OXJNMPFZSA-N 388.468 0.573 0 50 GCAA O=C(c1ncc[nH]1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857731273 NKMKSYSBNVILQG-IBGZPJMESA-N 384.440 0.862 0 50 GCAA CN(C)CCCN(C)C[C@@H](O)C1CCN(C(=O)CCCn2cncn2)CC1 1875249913 JKNSYNSLQBFFGK-GOSISDBHSA-N 380.537 0.541 0 50 GCAA Cn1c(N2CC[C@@H](N[C@@H](c3cccnc3)C3CCOCC3)C2)cc(=O)n(C)c1=O 1875400245 UZPXNOMEDMBLEV-YLJYHZDGSA-N 399.495 0.815 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2nc(N)cc(O)n2)[C@H]1c1ccccc1 1940194677 DUPSEDBRGBRNDS-MOPGFXCFSA-N 399.451 0.800 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2nnc(C)o2)cc1OC 2100555605 YUHXEONRRGUFBD-CVEARBPZSA-N 376.369 0.268 0 50 GCAA CN1CCOC[C@@]12COCN(S(=O)(=O)c1cccnc1OCC(F)F)C2 2325782786 GBTBXDXAEQCPLG-HNNXBMFYSA-N 393.412 0.405 0 50 GCAA CC(C)=CCC(=O)N[C@H]1C[C@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325877992 BAECHWZTFOSUOT-GJZGRUSLSA-N 384.498 0.246 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNCCC(=O)NC2CCCCCCC2)C1 65393596 ZDKCDHAFHZDTNC-MRXNPFEDSA-N 375.535 0.856 0 50 GCAA CN(C)S(=O)(=O)CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67955525 BQKRAEGXWPRGDO-SFHVURJKSA-N 389.562 0.791 0 50 GCAA Cc1cnc(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72410059 PJHFDCLHZCKGNT-CABCVRRESA-N 380.470 0.281 0 50 GCAA CCn1cnnc1CN1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 95500171 BDBUDGJXSCWLJW-SJORKVTESA-N 375.498 0.781 0 50 GCAA Cc1cc(C(=O)OCC(=O)NCc2cccnc2)cc(S(N)(=O)=O)c1C 170616665 MJIPCPBJYDXZAZ-UHFFFAOYSA-N 377.422 0.819 0 50 GCAA Cc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)nn1-c1c(F)cccc1F 252553183 VHIGHUHLWISRTE-UHFFFAOYSA-N 398.435 0.919 0 50 GCAA Cn1c(Cn2nnc(-c3ccccc3)n2)nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254816572 NKDPLPHOGJGISZ-GHJWDPDVSA-N 399.436 0.908 0 50 GCAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc2ncc(CCO)cn2n1 670434395 LWOPBEGMFVZIFM-AWEZNQCLSA-N 383.408 0.892 0 50 GCAA CCOC(=O)N1CCC(N2CCOC3(CCN(C(=O)COC)CC3)C2)CC1 823241516 FRZNNFZSIOVSMV-UHFFFAOYSA-N 383.489 0.947 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCC(CNC(=O)c2ccnn2C)CC1 952966272 UWFYEPWZPDDRQO-UHFFFAOYSA-N 381.458 0.856 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C[C@@H]2O)n[nH]1 1529173616 ZLZAGLRJTDZXGY-QAPCUYQASA-N 381.440 0.607 0 50 GCAA Cc1cc(C)n(CCCNC(=O)[C@]23COC[C@H]2CN(Cc2nc(C)no2)C3)n1 1857692018 KWCWZPHXLLEVOS-VQIMIIECSA-N 388.472 0.846 0 50 GCAA Cc1cnc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3C(=O)c2n[nH]c3c2COCC3)cn1 1857708220 LNKUELMUHKENAP-AFAVFJNCSA-N 396.451 0.748 0 50 GCAA Cc1cc(C)n(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)n1 1857725141 KIKDYPIUYOBGOQ-ULQDDVLXSA-N 377.489 0.326 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)N3CC(N4CCOCC4)C3)CC2=O)s1 1875247425 VRQWSJPPDXFEFX-GFCCVEGCSA-N 379.486 0.387 0 50 GCAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1n[nH]c(-n2cnnc2)n1 2100545195 JBOMDBMZUQSXNS-UHFFFAOYSA-N 377.368 0.039 0 50 GCAA Cn1cccc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2[nH]nc3ncccc23)C[C@H]1O 2100557401 RFKBLHVAUYQZMG-NORZTCDRSA-N 382.424 0.482 0 50 GCAA NCC1(NC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCCC1 2325896171 SHAFQTMWKFTJLA-OAHLLOKOSA-N 384.436 0.449 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)NCCc1nc2c(s1)CCCC2 2356156958 YFJDUTIAJZPSGZ-XISZODLJSA-N 379.526 0.504 0 50 GCAA CCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)CC3)nc(C)n2)CC1 15671364 WMFNYLAINITMFN-UHFFFAOYSA-N 382.534 0.399 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1cc(=O)[nH]cn1)CO2 71422109 MKFDVWGTPWKRDG-AWEZNQCLSA-N 385.424 0.375 0 50 GCAA CCN1Cc2nc(OC)c(CNC(=O)C3CCS(=O)(=O)CC3)cc2C1=O 71751414 GSZYIEJBENKMEF-UHFFFAOYSA-N 381.454 0.507 0 50 GCAA COCCN1CC[C@@]2(CCC1=O)CN(CCC(=O)N1CCCC1)CCN2C 95380733 XHBPDRPTJUZHBX-FQEVSTJZSA-N 380.533 0.644 0 50 GCAA CN(CC(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2)c1ccccc1 95390449 MOSKFKKNJJWRAB-DOTOQJQBSA-N 380.514 0.852 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)COc1ccc(F)cc1)C2 247959515 PWTICPMZTNCLIQ-HIFRSBDPSA-N 385.461 0.934 0 50 GCAA O=C([C@@H]1CCCN1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 261874059 SSXJCSYKEGDRRV-LBPRGKRZSA-N 381.483 0.998 0 50 GCAA COCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)OC 292263333 VYHOBSZJAWVRLQ-DLBZAZTESA-N 375.425 0.909 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 426589822 SXFOEGBSAINHHN-INIZCTEOSA-N 381.502 0.182 0 50 GCAA Cc1ccn(CC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(=O)c1 469464084 DMHZBHINOMHSJJ-UHFFFAOYSA-N 398.467 0.132 0 50 GCAA O=C(NCCn1nc(O)c2ccccc2c1=O)[C@H](c1ccccc1)n1cnnn1 828401210 QCYCYJFNOJQKKN-INIZCTEOSA-N 391.391 0.494 0 50 GCAA COc1ccc([C@H]2CN(C(=O)CN(C)c3ncnc4[nH]cnc34)CCN2)cc1 870138048 AWHXOOHWOMNMNU-OAHLLOKOSA-N 381.440 0.971 0 50 GCAA NC(=O)N1CCC[C@H]1C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 1529127017 XMVFTXWYWSKLKR-KRWDZBQOSA-N 388.468 0.807 0 50 GCAA Cc1ccc2ncnc(N3CCCN(S(=O)(=O)N4CCOCC4)CC3)c2n1 1857671171 OPDNZLUOARNOET-UHFFFAOYSA-N 392.485 0.422 0 50 GCAA COCC(=O)NC[C@H]1[C@H]2CN(c3ncc(C)c(N(C)C)n3)C[C@]23CC[C@H]1O3 1857721941 NMYIBGXQZRZPRE-NRTGNBEESA-N 375.473 0.597 0 50 GCAA NC(=O)[C@H]1CC[C@H]2OCCN(C(=O)CCn3cnc4ccccc4c3=O)[C@@H]2C1 1857734250 GNXMHFOTJSWLQY-IAOVAPTHSA-N 384.436 0.668 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@H]1NC(=O)c1cnccn1 2100555566 XHLWZAYJHVEEFV-ZMSDIMECSA-N 386.456 0.793 0 50 GCAA CC[C@H](OC)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCc2ccccc2C1 2332237859 OMISXSKVQSVCFZ-ZACQAIPSSA-N 394.493 0.526 0 50 GCAA C[C@@]1(O)CCOC2(CCN(Cc3cc(=O)n4cccc(O)c4n3)CC2)[C@H]1O 2356157774 QDZFIXHGWAUJLC-ZWKOTPCHSA-N 375.425 0.267 0 50 GCAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCO 59686617 JJZYGSPDXUBTNO-UHFFFAOYSA-N 381.466 0.586 0 50 GCAA in-vitro N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71776287 SKPOKTJPBJCPBT-KRWDZBQOSA-N 391.431 0.992 0 50 GCAA CCn1c(C)cc(C)c(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)c1=O 77488726 CRXITYZNFRCFDZ-OAHLLOKOSA-N 385.468 0.835 0 50 GCAA CC(=O)NCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCCCCC2)[C@H]3C1=O 77536147 FBFQJQKLARCNBD-BOSXTWCSSA-N 375.469 0.697 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H](O)c3ccccc3)cc2C1 91551288 PPEXMNJAQYHDQD-MRXNPFEDSA-N 378.454 0.398 0 50 GCAA CN(CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)S(C)(=O)=O 95353560 DNWCBAPODGNXEW-DOTOQJQBSA-N 380.514 0.786 0 50 GCAA O=C([C@@H]1CCCN1C(=O)Cn1sc2ccccc2c1=O)N1CCOCC1 95511614 GJPJPNCWEQJWDD-AWEZNQCLSA-N 375.450 0.913 0 50 GCAA CN1C[C@H](Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C[C@H]1CO 96164356 IGGBDENISDVYDS-OLZOCXBDSA-N 379.461 0.152 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cn3ccccc3n1)C2 216572572 QPCWWHQNMZGUCQ-KGLIPLIRSA-N 377.470 0.677 0 50 GCAA O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 252486642 HNJFUADPWVRRHZ-RTBURBONSA-N 393.447 0.543 0 50 GCAA Cn1c(=O)c2c(ncn2CCN2CCC(F)(c3ccccn3)CC2)n(C)c1=O 295370965 PHYYZOJKQVCCOP-UHFFFAOYSA-N 386.431 0.790 0 50 GCAA COCC(=O)N1CC[C@@H](NC(=O)c2cccc(CCC(C)(C)O)c2)[C@H](O)C1 299759164 AFGIQYRBRNRKEX-IAGOWNOFSA-N 378.469 0.728 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)cc1C(=O)O 414341530 OIKIDCJWNTUQBF-LLVKDONJSA-N 385.442 0.818 0 50 GCAA O=C(NS(=O)(=O)C[C@H]1COCCO1)c1ccc(O[C@@H]2CC2(F)F)cc1 888100332 XJVQUSRBYSTCTI-CHWSQXEVSA-N 377.365 0.948 0 50 GCAA Cc1ccn(CCC(=O)NC[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 1506398871 GPUAICUNEQKDSG-MRXNPFEDSA-N 383.518 0.750 0 50 GCAA Cc1ccc(N2C[C@@H]3CN(C(=O)c4cncn4C)C[C@]3(CCC(=O)O)C2)nn1 1772814496 CJHXMNYQQSNHBK-KUHUBIRLSA-N 384.440 0.962 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCCc1cnccn1 15063934 PXKSCPJBIBJVKS-IBGZPJMESA-N 381.480 0.959 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccccc3)no2)C1 67614132 OJNCERKIJDSICN-AWEZNQCLSA-N 393.469 0.871 0 50 GCAA COc1cccc(CN2CCC[C@@]3(CCN(C(CO)CO)C3)C2=O)c1OC 72426169 AEAYBIVDEUYKMT-FQEVSTJZSA-N 378.469 0.872 0 50 GCAA COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)NCC(N)=O)c2=O)cc1 77488740 IFNKILQEVDSPKZ-UHFFFAOYSA-N 395.419 0.235 0 50 GCAA CCCOC(=O)N1CCN(C(=O)c2cc(CC)no2)[C@H]2CS(=O)(=O)C[C@H]21 82092021 CYCWXFBHUGCDRZ-QWHCGFSZSA-N 385.442 0.707 0 50 GCAA COC(=O)[C@@]1(CO)N[C@@H](c2c(C)sc3ccccc23)[C@H]2C(=O)N(C)C(=O)[C@H]21 210359610 DTKCNARRNNUECQ-XLPNERPQSA-N 388.445 0.989 0 50 GCAA CC(C)C[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252536393 ILNFXQJYTYCQPR-ZIAGYGMSSA-N 391.424 0.953 0 50 GCAA Cc1nc(O)nc(O)c1-c1ccc(C(=O)NCCN(C)S(C)(=O)=O)cc1 426649615 KHKGOVGGVGBXDA-UHFFFAOYSA-N 380.426 0.484 0 50 GCAA COc1cc(NC(=O)CN2CCN(c3ncccn3)CC2)cc(-n2cnnn2)c1 952970752 VICHEFPCVLMEIH-UHFFFAOYSA-N 395.427 0.222 0 50 GCAA CN(C)c1ccc(C(=O)N2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)cc1 1565526928 YFHBUQUJQGWYDD-YJBOKZPZSA-N 381.498 0.611 0 50 GCAA COc1cc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)ccc1OCC(=O)O 1704312439 RYSZYAMQADIXCQ-GJZGRUSLSA-N 394.424 0.376 0 50 GCAA CN(C)C[C@]12CN(Cc3ccc(CO)o3)C[C@H]1CN(C(=O)c1ccnn1C)C2 1772810604 NCJMDSGPBHPKGK-MGPUTAFESA-N 387.484 0.641 0 50 GCAA CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCCN=c2ccc(C)c[nH]2)C1 1857683896 QGWIUCWDNRAFPM-OXQOHEQNSA-N 389.500 0.798 0 50 GCAA COc1ccc([C@@H]2[C@H](C(=O)NCc3nonc3C)C[C@@H]3CN(C)CC(=O)N23)cc1 1857691171 YKMWTKPQAKBIDC-IDHHARJASA-N 399.451 0.907 0 50 GCAA Cc1cnc(N2C[C@@H]3[C@H](CNC(=O)COC(C)C)[C@H]4CC[C@]3(C2)O4)[nH]c1=N 1857727385 QEERQVRLPSRZAC-NRTGNBEESA-N 375.473 0.723 0 50 GCAA COC(=O)CCNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)COc2ccc(F)cc2)C1 1875246186 KEUUSTBVROTWGR-NILFDRSVSA-N 382.388 0.140 0 50 GCAA COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1c3ccccc3nn1C)CC2 1875345822 JUZXXYTYJLNFNJ-LLVKDONJSA-N 376.442 0.605 0 50 GCAA O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402900 NMRRYCCJNLMJIO-RCCFBDPRSA-N 384.484 0.356 0 50 GCAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCO[C@@]2(CCNC2)C1 2356145975 ZGJGAMCGURXPJP-VIDZHXABSA-N 396.491 0.909 0 50 GCAA CCOC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1395375 MIZPAOKAXHOLND-CYBMUJFWSA-N 377.440 0.570 0 50 GCAA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3)cc1 4751847 QNHQBDSQKRSOIN-WBMJQRKESA-N 391.449 0.675 0 50 GCAA COc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)c1 41244313 XNBBBJFQVGZEKB-AWEZNQCLSA-N 380.466 0.804 0 50 GCAA CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 77292401 YPNFVZQPWZMHIF-RBGFHDKUSA-N 392.426 0.823 0 50 GCAA in-vitro O=C(O)CN1CCN(C(=O)CCc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77439324 WYEJNQVVFNUMJY-CABCVRRESA-N 384.429 0.153 0 50 GCAA CCN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCOC3)c2)CC1 95369839 MSZNWDROHRUTLK-HNNXBMFYSA-N 381.498 0.779 0 50 GCAA CCc1noc(CN2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95504495 CPTDHAZVLXCQKX-UONOGXRCSA-N 391.453 0.151 0 50 GCAA CN(C)[C@@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cnn(C)c1 117844876 GOXKZMMPVXIUCU-KRWDZBQOSA-N 391.497 0.993 0 50 GCAA Cc1c(O)cccc1C(=O)N1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 212802475 DQSBMAGLKYIFDT-KGLIPLIRSA-N 381.454 0.306 0 50 GCAA Cc1nc(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)sc1C(=O)O 244794937 QWRCCPWUHZBYGE-UHFFFAOYSA-N 376.460 0.056 0 50 GCAA Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCOC[C@@H]1C(=O)O 262502855 NVKGZPJPNIXXSM-LLVKDONJSA-N 392.437 0.755 0 50 GCAA COc1ccc2c(c1)C=C(C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1)CO2 262896619 HPBCWHDXJSPERA-INIZCTEOSA-N 376.409 0.715 0 50 GCAA C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(c2ncnc3[nH]cnc23)CC1 363013304 IFCXKVVPUCBLMS-LLVKDONJSA-N 383.412 0.849 0 50 GCAA CCc1nc(SCC(=O)N2C[C@H]3CCN(Cc4nccn4C)[C@H]3C2)n[nH]1 1073309663 LDFFADRZYHMNBC-OLZOCXBDSA-N 375.502 0.926 0 50 GCAA Cc1noc(CN2CC3(CCN(C(=O)c4[nH]cnc4C)CC3)OCCC2=O)n1 1704311381 HDMJRJZHXWOAFU-UHFFFAOYSA-N 388.428 0.833 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3OC)C[C@@]2(CN(C)C)C1 1772700482 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NC(=O)c1cnn2c(C(=O)N3CCC(CN4CCCCC4=O)CC3)ccnc12 1320229100 IBVJWPIKQLHGPR-UHFFFAOYSA-N 384.440 0.693 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)Cc3c(C)nc(C)nc3O)CC(=O)N21 1857727625 VOWBOLFZNDYOPL-QEJZJMRPSA-N 390.440 0.352 0 50 GCAA Cn1cc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@H]2O)ccc1=O 1875242047 KVKURLVRAJKSLB-IPMKNSEASA-N 395.459 0.840 0 50 GCAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCS(C)(=O)=O)cc1OC 1875246317 LIYUGLIKWLXQNW-RDJZCZTQSA-N 387.454 0.399 0 50 GCAA C[C@H](Oc1ccc(Cl)cc1S(=O)(=O)N(C)C)C(=O)N1CCOCCN1 1875284307 QENDTQUFJVWNPU-NSHDSACASA-N 391.877 0.721 0 50 GCAA CCOCC(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCNC(=O)C1 2100556671 OMACVESOTMGAFB-DEPWHIHDSA-N 387.480 0.058 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356134898 HNCCBCUZVWIBLL-UHFFFAOYSA-N 377.470 0.193 0 50 GCAA CS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1320043 XWFUCHLBRWBKGN-QMIVOQANSA-N 378.399 0.433 0 50 GCAA in-vitro COC(=O)C[C@@]1(C(=O)OC)N[C@H](c2ccc(C)cc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65465646 AZVOIFPPAAZFSK-DEXNDLTESA-N 392.383 0.484 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)COC[C@@H]3CCCCO3)cc2C1 91737836 NOSRLMPCHPQOGB-INIZCTEOSA-N 379.461 0.582 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cncn1)CC2 95529108 QGNLDQRZGSWIGX-ZDUSSCGKSA-N 387.444 0.111 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2cnn(C)c2)CN1C1CCOCC1 97730099 CHZLFCBTEUCNSY-RDJZCZTQSA-N 377.489 0.227 0 50 GCAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 243957190 CHJUHWYKUVHVDY-RTBURBONSA-N 393.451 0.351 0 50 GCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]2CO)cn1 275245097 FXXVMLMIQXLVFI-ZFWWWQNUSA-N 379.438 0.588 0 50 GCAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCO[C@@H](C(=O)O)C1 299753470 YHZWQGIOUUOYNH-HZPDHXFCSA-N 377.372 0.666 0 50 GCAA CN(C)CCCOC1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 368637809 LJTIZVLAYJPORJ-VQIMIIECSA-N 391.516 0.899 0 50 GCAA COCCn1ccnc1CN1C[C@H]2CN(c3ccncc3F)C[C@@]2(CO)C1 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Cn1ncc(N2CC[C@H](CNC(=O)c3cc(=O)c4ccccc4[nH]3)C2)cc1=O 72171119 CZVYOUNCGYYMGR-CYBMUJFWSA-N 379.420 0.878 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnn3ccccc13)C2 95373083 UKBSJSCGISHWIO-UONOGXRCSA-N 377.470 0.677 0 50 GCAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)cn1 328611524 LXUVMRADDXPDFG-ZDUSSCGKSA-N 379.442 0.688 0 50 GCAA CC[C@@H](C)c1cc(C(=O)N(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CCNC2)on1 328644110 RRWTVHPACDKJAB-TZMCWYRMSA-N 389.456 0.590 0 50 GCAA O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 330349033 JLWBHMAAMHRRGK-CQSZACIVSA-N 383.408 0.554 0 50 GCAA C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@H]1CN 366329245 MLFHSMOQVLFZKZ-WWGRRREGSA-N 394.497 0.273 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)c(=O)n(C)c1=O 416640421 CHIKJNTVMHRHTN-ZDUSSCGKSA-N 399.419 0.758 0 50 GCAA Cc1cc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)O)CC2)nc(C(C)C)n1 422725820 CKNYXYNCKDBCPI-ZDUSSCGKSA-N 391.472 0.736 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nnc(C)s2)o1 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388.468 0.937 0 50 GCAA CNC(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 72115704 DUEGRNWSYIVUDO-UHFFFAOYSA-N 398.485 0.512 0 50 GCAA CC(=O)NCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 72145113 DMWMHYZTCPHWJX-LJQANCHMSA-N 382.464 0.783 0 50 GCAA O[C@]1(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)CNCCOC1 77454988 MRWWZISTBQPRGU-SFHVURJKSA-N 375.498 0.678 0 50 GCAA CC(C)c1noc(CNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 91818095 IPNFTERIKOXAIK-CQSZACIVSA-N 379.461 0.380 0 50 GCAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 247534919 QEBGTKAOPIPXPU-KGLIPLIRSA-N 382.486 0.614 0 50 GCAA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 277650395 YHXUZIJXQDENRD-DOTOQJQBSA-N 395.481 0.807 0 50 GCAA Cn1nccc1CCC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 952982186 PEJWCHLUJOHHSR-UHFFFAOYSA-N 391.497 0.965 0 50 GCAA O=C(c1cc2c(nc1O)CCC2)N1C[C@@H]2CN(Cc3cc[nH]n3)C[C@]2(CO)C1 1857686710 DCYOBRQPHIYPPT-VBKZILBWSA-N 383.452 0.566 0 50 GCAA CCc1nc(CN(C)C(=O)[C@@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cs1 1875393388 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50 GCAA CC(=O)c1ccc(N2CCN(C(=O)[C@]34CNC[C@H]3CN(C(C)=O)C4)CC2)cc1 247952438 RGWITNGXRIYFEH-RXVVDRJESA-N 384.480 0.606 0 50 GCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N2CC[C@](C)(C(=O)O)C2)ccc1OC 269054282 WMABNJRIFDLODI-UABRLCRWSA-N 382.438 0.940 0 50 GCAA CN(C)CCN(CC(=O)O)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 299746852 BJLNAOYAYOKSPZ-SFHVURJKSA-N 394.403 0.068 0 50 GCAA CN1CC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)[C@H](c2cnn(C)c2)C1 849511292 OVXIORPUXCGENL-SJORKVTESA-N 380.456 0.748 0 50 GCAA CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](n3ccnn3)C2)cc1 888103141 KAVCUUOVPKZSJE-AWEZNQCLSA-N 378.458 0.733 0 50 GCAA O=C(N1CCCC1)N1CCC[C@@H](C(=O)N2CCSC[C@@H]2c2nn[nH]n2)C1 907478800 WGLSJHMFXFLVMG-CHWSQXEVSA-N 379.490 0.744 0 50 GCAA O=C(C(=O)N1CC[C@H]([C@H]2CCOC2)C1)N1CCN(C(=O)N2CCCC2)CC1 1328285169 BSRYZWYQGJUGNJ-HOTGVXAUSA-N 378.473 0.231 0 50 GCAA COC(=O)N1CCN(Cc2cc(OC)ccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1565506022 DKQIPQUKHROAKL-CABCVRRESA-N 384.454 0.753 0 50 GCAA CN1CCN(C(=O)c2ccnc(N3C[C@H](O)[C@H](Cc4ccncc4)C3)c2)CC1 1704306006 UAAJWTQFBBNTNB-MOPGFXCFSA-N 381.480 0.904 0 50 GCAA CN(C)C[C@@]12CN(C(=O)CCS(C)(=O)=O)C[C@H]1CN(C(=O)C1CCC1)C2 1772708958 LZDQTMXYOMFUTN-YJBOKZPZSA-N 385.530 0.070 0 50 GCAA Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(N)nc3)C[C@@]2(CO)C1 1772712287 QTTGINDBPLFCBM-FOIQADDNSA-N 399.451 0.404 0 50 GCAA CNC(=O)C[C@H]1CN(C(=O)COCCc2ccc(Br)cc2)C[C@@H]1O 1857531452 WJHCXSHXAUVLJC-ZFWWWQNUSA-N 399.285 0.964 0 50 GCAA CN1CC[C@]2(C(=O)O)CN(C[C@@H](O)COCc3ccc4c(c3)OCO4)C[C@@H]2C1 1875282469 GHBMODTXPUBDOU-YRNRMSPPSA-N 392.452 0.631 0 50 GCAA Cc1ocnc1C(=O)N1CCc2c(ncn2C)[C@]12CCN(C(=O)[C@H]1CCOC1)C2 2325776890 LYQHVVABXWYKOJ-VBKZILBWSA-N 399.451 0.879 0 50 GCAA Cn1c(=O)c2c(ncn2CCCSC[C@H]2CCc3nncn3C2)n(C)c1=O 2325788157 PNDMLKAUSVBXRP-LBPRGKRZSA-N 389.485 0.411 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)N=c4cc[nH]cc4)cc3C2=O)C(=O)N1 2325886687 FDOBUGOLZCCQFF-INIZCTEOSA-N 393.403 0.586 0 50 GCAA COC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(C)C 4763665 YWDCRYSZEDWOKQ-INIZCTEOSA-N 379.413 0.343 0 50 GCAA CCOCC(=O)N1CCC(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)CC1 72407043 NINSVOMJTJVCRD-UHFFFAOYSA-N 392.456 0.518 0 50 GCAA CC(C)CNC(=O)C[C@@H]1COCCN1C(=O)c1ccc2c(=O)n(C)cnc2c1 72436182 SSZYBYUNXNYCCI-OAHLLOKOSA-N 386.452 0.937 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n[nH]1 216297323 DZIKTTVTPFWXJO-UHFFFAOYSA-N 377.348 0.884 0 50 GCAA CSCc1noc(CN2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)n1 216979680 CAHDFUIEDXRUSZ-RYUDHWBXSA-N 375.520 0.635 0 50 GCAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cccc(OCC(N)=O)c2)c1O 253623622 BNKWWADIVKKVFO-NSHDSACASA-N 389.364 0.151 0 50 GCAA biogenic COC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 262554444 XXANIMNTXXDVTR-JTQLQIEISA-N 376.456 0.562 0 50 GCAA CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)cc1 263506875 WAYJDZMQWDWLPZ-CQSZACIVSA-N 394.471 0.342 0 50 GCAA Cc1nnc(SCC(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)s1 426621556 DPCLMFLUHFROFW-ZWUHOBOKSA-N 385.511 0.954 0 50 GCAA Cc1nc(N)nc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)c1Cl 584897458 CNOJGTIKSPBKSE-UHFFFAOYSA-N 383.861 0.967 0 50 GCAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1c1ncnc2c1ncn2C[C@@]1(O)CCOC1 888097966 VWUMFVWKMJWHDH-GPINWOSQSA-N 389.456 0.344 0 50 GCAA C[C@@H](C(=O)N1CCCN(C(=O)c2ccccc2-c2nn[nH]n2)CC1)n1cccn1 1529197432 QIIYTSAOPAHCSH-AWEZNQCLSA-N 394.439 0.999 0 50 GCAA CC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3n[nH]c4c3COCC4)CC2)[C@H]1O 1704332591 TVYANMDINDJLQG-ZWKOTPCHSA-N 392.456 0.133 0 50 GCAA CC(=O)NCC(=O)N[C@]1(C)CCOC2(CCN(c3ccc(C)cn3)CC2)[C@H]1O 1772705766 ZPGJHVFWTLNLQT-RBUKOAKNSA-N 390.484 0.521 0 50 GCAA CNC(=O)NCC(=O)N1CCCCC[C@H](NC(=O)CCc2ccccn2)C1 1775992194 QEMNNUNGOKJXQN-INIZCTEOSA-N 375.473 0.831 0 50 GCAA COCCn1cc(C(=O)NCC[C@H](C)NC(=O)c2cnc3n2CCCC3)nn1 1775992607 STICVQGBACHTMT-ZDUSSCGKSA-N 389.460 0.396 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)Cc3[nH]cnc3C)CC(=O)N2[C@@H]1CC(C)C 1857694791 XRRBWFBCRCMQLL-BFYDXBDKSA-N 389.500 0.871 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N(C)Cc3nncn3CCOC)CC2=O)s1 1857722095 BGRXLAMMZHURHE-LLVKDONJSA-N 393.473 0.350 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nn2C)C[C@H]1O 1857737755 BHJNCDQQEJTYOH-WMLDXEAASA-N 392.481 0.411 0 50 GCAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc(Cn4cnnn4)cc3)[C@@H]2C1 1875244663 YLKHDIBQBAAYEJ-GVDBMIGSSA-N 384.440 0.477 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCc2cscn2)CC[C@H]1O)c1cnccn1 1875248841 RYDZANRJCXILML-NJZAAPMLSA-N 375.454 0.551 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3CCC4(CC3)CNC(=O)CO4)CC2)c1 2356140417 ICDQWQHSMVHKJR-UHFFFAOYSA-N 386.496 0.625 0 50 GCAA CCn1c(C2CCN(C(=O)c3cc4ncc(CCO)cn4n3)CC2)n[nH]c1=O 67641596 LQCHGUHDQUXLAU-UHFFFAOYSA-N 385.428 0.189 0 50 GCAA CN1CCN(c2ncccc2CNC(=O)c2ccnc(-n3cnnc3)c2)CC1 67982546 ILZZCEJHMMEQMY-UHFFFAOYSA-N 378.440 0.739 0 50 GCAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)CC3)[C@@H]4C2=O)c1 77420616 ZESMVEQTQPWRDO-VGYLUTEMSA-N 395.459 0.626 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)CCCc3cn[nH]c3)cc2C1 82087580 PLQICFDTIYNTFT-UHFFFAOYSA-N 380.474 0.411 0 50 GCAA COCCn1ccnc1C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 95505191 RMKPDIHJLFDRMC-UHFFFAOYSA-N 377.445 0.566 0 50 GCAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 96131741 SERYBGDEDROQIH-UHFFFAOYSA-N 382.428 0.646 0 50 GCAA CCn1nccc1CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 253426797 AZDIHNLFRCCCCD-UHFFFAOYSA-N 386.499 0.974 0 50 GCAA C[C@]1(C(=O)N2CC[C@](C)(CNC(=O)[C@]3(C)CCC(=O)NC3)C2)CCC(=O)NC1 333430761 HMSJTBFESPLRID-AQNXPRMDSA-N 392.500 0.174 0 50 GCAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C(N)=O)cn3)cn2)C[C@H](C)O1 363561068 UXELUHYFFMFSDM-RYUDHWBXSA-N 386.412 0.265 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)NCC2=CCCOC2)C[C@H]1C(F)(F)F 376996666 WTVOIWKTWKBTFF-VXGBXAGGSA-N 385.408 0.797 0 50 GCAA CCc1ncc(S(=O)(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)[nH]1 426490169 HIPABTJHRKRILE-UHFFFAOYSA-N 380.474 0.645 0 50 GCAA CCCOc1ccccc1CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)NC 584897023 CIMZGSKTTKVKEE-OAHLLOKOSA-N 376.457 0.664 0 50 GCAA NCc1ccc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 892226086 VRFNPYJUXDVQBI-SFHVURJKSA-N 393.507 0.880 0 50 GCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(NC(=O)CN(C)C)c1 952966670 IZHYJCLFSGZYJT-MRXNPFEDSA-N 375.473 0.724 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cc(C)on2)cc1OC 1529185077 JDDSHPQENKPPGD-SJORKVTESA-N 375.381 0.873 0 50 GCAA Cn1ccnc1[C@]1(CNC(=O)c2ccc(-c3cc[nH]n3)s2)NC(=O)NC1=O 1775985553 QAOQDVRRZPBFQN-INIZCTEOSA-N 385.409 0.336 0 50 GCAA O=C(COc1ccc(CN2CCC(N3CC(O)C3)CC2)cc1)N1CCOCC1 2100556852 KNASAGPSHWWDBT-UHFFFAOYSA-N 389.496 0.565 0 50 GCAA CC[C@@]1(C)C[C@H]1C(=O)N1CCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 2325793194 KINQZFMQBBADNW-KSSFIOAISA-N 375.473 0.387 0 50 GCAA NC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1cc(Cl)c(Br)[nH]1 2325840694 LWOIGDSMFWYOPB-UHFFFAOYSA-N 389.597 0.621 0 50 GCAA COc1ccnc(NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)n1 2325898031 PXDBFIDBJZHHHO-CQSZACIVSA-N 381.392 0.858 0 50 GCAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1CCCO1 1060545 ZTZXMOCTGABLCV-HNNXBMFYSA-N 384.454 0.382 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(CO)o1)CCN2Cc1cccnc1 72411353 ALDAOULUBMJAIV-MSOLQXFVSA-N 377.466 0.650 0 50 GCAA Cc1cc(C)cc(CN2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77393037 GKRBNGZJIWHJML-ZWKOTPCHSA-N 379.526 0.675 0 50 GCAA CN1CCN(Cc2nnc(C3CCN(C(=O)c4cnn(C)c4)CC3)n2C)CC1 91736374 YABWYYKYNSDTIY-UHFFFAOYSA-N 386.504 0.316 0 50 GCAA C[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1cncn1 95531163 DVTYIQKYGUCURF-ZDUSSCGKSA-N 383.456 0.875 0 50 GCAA CN1C[C@H]2CN(Cc3cccc(OCCN4CCOCC4)c3)C[C@@]2(C(=O)O)C1 96152240 NXSNXRIKPKWHOB-RXVVDRJESA-N 389.496 0.846 0 50 GCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 152416986 KOJNGFFLEAZACV-MRXNPFEDSA-N 383.456 0.105 0 50 GCAA Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cn1 173420009 JFCLNUNOYGOTEV-GFCCVEGCSA-N 391.453 0.812 0 50 GCAA COc1cccc(N2CCN(C(=O)[C@@H]3CSC(C)(C)C(=O)N3)CC2=O)c1 299764577 JEYOKVWDRCCMOP-AWEZNQCLSA-N 377.466 0.881 0 50 GCAA C[C@@H]1CCCC[C@H]1OCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCNC1 328603982 HZJUMSCGKIGRGI-KBAYOESNSA-N 378.517 0.843 0 50 GCAA NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 378295248 OTXGCEYAWAHRSM-MRXNPFEDSA-N 394.497 0.209 0 50 GCAA C[C@@H]1CN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)CC[S@@](=O)C1 952832858 HGWJFYJIQZVWTJ-MZHQLVBMSA-N 379.486 0.337 0 50 GCAA COCCNc1nc2cc(C(=O)N3CCC([C@H](O)CO)CC3)ccc2n1C 1772815087 DCAHOHOHMUUYQR-QGZVFWFLSA-N 376.457 0.837 0 50 GCAA CN1CCn2nc(C(=O)NC[C@H](c3ccccn3)N3CCOCC3)cc2C1=O 1857678177 CQQYCBINIDMSSS-QGZVFWFLSA-N 384.440 0.167 0 50 GCAA CCCn1cnnc1CNC(=O)[C@@]12CCCN(S(C)(=O)=O)[C@H]1CN(C)CC2 1857702544 NHKQICZVDXWEQC-WMLDXEAASA-N 398.533 0.050 0 50 GCAA CCNC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3nnc(CC)s3)C2)CC1 1857739190 LUHROMMSLTWKFM-NSHDSACASA-N 394.501 0.764 0 50 GCAA COC(C)(C)C(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1875249410 QTVDSHBQSLQXCC-ROUUACIJSA-N 393.532 0.751 0 50 GCAA NC(=O)C12CC(CNC(=O)Cc3c(F)cccc3F)(C1)OC21CCNCC1 1875393964 WAPVYNYBFKDNKB-UHFFFAOYSA-N 379.407 0.780 0 50 GCAA Cn1ncc2c1CCN(C(=O)CCCn1c(=O)oc3ccccc31)[C@@H]2C(N)=O 1875394584 OBRSBRQFUNZXCS-KRWDZBQOSA-N 383.408 0.720 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@@]2(CCN(C(=O)c3csc(=N)[nH]3)C2)c2ccccc21 2100539391 GMGFFSRLWHHFGB-LJQANCHMSA-N 399.476 0.774 0 50 GCAA COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 4763388 OSHAKAAYZUJSRF-HNNXBMFYSA-N 393.440 0.733 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCO)CC1 4813853 KEFFEPASVJLSNU-UHFFFAOYSA-N 376.862 0.858 0 50 GCAA O=C(Cn1cncn1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc2C1 77408198 PYSXDSXOWSNGOJ-UHFFFAOYSA-N 375.454 0.648 0 50 GCAA CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCOC2)c1 95353741 OZNVFBOKFBXBPO-CQSZACIVSA-N 383.470 0.257 0 50 GCAA CC[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1c(C)noc1C 182405375 GEAVYVMUCIKLJZ-CVEARBPZSA-N 398.529 0.663 0 50 GCAA CN1CCN(S(=O)(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 244796055 RRYUZLSLKBMJNU-SOLBZPMBSA-N 381.498 0.515 0 50 GCAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCO[C@H](CNc3nccn(C)c3=O)C1)CO2 333144134 KTWSQOFGMHAXPC-NVXWUHKLSA-N 398.463 1.213 0 50 GCAA Cc1nc(N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)sc1S(N)(=O)=O 367220481 VGDSGSFTYSZUAB-LLVKDONJSA-N 384.487 0.533 0 50 GCAA CC1(C)[C@@H](NC(=O)C23C4C5C2C2C3C4C52C(=O)N[C@@H]2C[C@H](O)C2(C)C)C[C@H]1O 1338960891 SAIDTZXUYVMLIB-NYSNAHTFSA-N 386.492 0.276 0 50 GCAA Cn1c(O)nnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529099535 AQLCNIZQGJILEI-KGLIPLIRSA-N 379.804 0.089 0 50 GCAA C[C@@]1(NC(=O)CCn2c(O)nc3ccccc32)CCOC2(CCNCC2)[C@H]1O 1704338871 ILDDESQDQKNLJS-PKOBYXMFSA-N 388.468 0.910 0 50 GCAA O=C(CCN1CCOCC1)N1C[C@@H]2CN(C(=O)CC3CCCC3)C[C@@]2(CO)C1 1772809870 GLSVITVXZLWPCP-WIYYLYMNSA-N 393.528 0.568 0 50 GCAA Cc1nccc(CN2C[C@@H]3CN(CC(=O)NC4CCCCC4)C[C@@]3(CO)C2)n1 1772815368 JMIABIDFTREBAJ-DYESRHJHSA-N 387.528 0.960 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)Cc2csc(C)n2)no1 1775982563 RRNYEQALQRYMLC-CHWSQXEVSA-N 398.466 0.002 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)NCCN3CCN(C)C3=O)CC2=O)s1 1857717866 CDPUDVRXLZGGSA-NSHDSACASA-N 380.474 0.327 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)C1 1875379387 SQDJKHJHLIWHGA-BLEBADBPSA-N 378.498 0.960 0 50 GCAA Cc1nccn1CCCC(=O)N[C@@H]1C[C@@H](Cn2cc(C(=O)O)cn2)C[C@H]1O 2325786214 UNVJKIYWYQNCRO-FVQBIDKESA-N 375.429 0.822 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(Cl)c3)CN2C1=O 14741262 HDNFXSRNESFJFK-KKUMJFAQSA-N 378.860 0.667 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCS(=O)(=O)CC3)C2=O)c1 67983502 FYXINGHULXYVBL-SFHVURJKSA-N 382.482 0.279 0 50 GCAA Cc1nc(CNC(=O)C[C@@H]2COCCN2C(=O)CN2CCOC2=O)cs1 72462808 IOKXRSGPEVVZFZ-CYBMUJFWSA-N 382.442 0.137 0 50 GCAA Cc1nc[nH]c1CSCCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 91724863 SBCBOUHHZLQXOJ-CABCVRRESA-N 379.530 0.916 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]2C1 95391857 SCTCAYLAHLQCJY-RDTXWAMCSA-N 399.561 0.772 0 50 GCAA CC[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1c(C)noc1C 182405412 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CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 622204 WMLSDFBKHXGBJC-UHFFFAOYSA-N 387.433 0.892 0 50 GCAA Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)sc1C 67770788 OXFJYCBPBDCAAC-MRXNPFEDSA-N 394.541 0.989 0 50 GCAA O=C(NCCc1nc2c(s1)CCC2)c1cn(CCN2CCNCC2)nn1 77554710 ICUIJKSXBWBAHB-UHFFFAOYSA-N 375.502 0.101 0 50 GCAA CCc1ccccc1OCCN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)O)C1 96151399 IHHHWZDCCGYYGW-CRAIPNDOSA-N 382.482 0.906 0 50 GCAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc(OC)c2c(c1)OCO2 253470818 FZVSJYXKXSNLMX-SNVBAGLBSA-N 391.380 0.553 0 50 GCAA Cc1cccc([C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N2CCOCC2)c1 263263489 UHDVEUWQQSSXEY-MJGOQNOKSA-N 376.501 0.584 0 50 GCAA COC(=O)c1cc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc(S(C)(=O)=O)c1 268399801 YUHSZYMHSZXFCS-DGCLKSJQSA-N 399.425 0.031 0 50 GCAA O=C(O)CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C1CCOCC1 299749667 LGJPZCCYGQWFRG-AWEZNQCLSA-N 375.425 0.912 0 50 GCAA C[C@H](OC1CCCCCC1)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 330003425 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CCN(CC)C[C@H](O)COc1cc(CN2CCN(CCO)CC2)ccc1OC 23359771 DFBVPLUVWZRZJZ-IBGZPJMESA-N 395.544 0.887 0 50 GCAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)C1 55104308 BBOLUDBSFXJSNO-LLVKDONJSA-N 395.437 0.191 0 50 GCAA Cc1cnn(CCC(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77406255 RYXUPQWMMADRHN-LSDHHAIUSA-N 382.486 0.074 0 50 GCAA CC(C)CN(C)CCN1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)OC1=O 77471230 QFWFQCDSNXDJDW-UHFFFAOYSA-N 380.489 0.653 0 50 GCAA CN(CC(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1)C(N)=O 91382220 BYGITWDVKBYCIH-UHFFFAOYSA-N 387.484 0.866 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCOc2ccc(CO)cc2C1 91872345 FAXGUAOSHFLHER-UHFFFAOYSA-N 383.452 0.512 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)c1=O 96130615 GSRJJINNRPDZOX-UHFFFAOYSA-N 379.420 0.446 0 50 GCAA Cn1nccc1CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCNC2)c1 215732700 VWUBIMKVPRBEDG-AWEZNQCLSA-N 377.470 0.033 0 50 GCAA COC(=O)c1cn(CCC(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)[nH]nc1-2 263587874 MFNCIDIUHCLDFU-UHFFFAOYSA-N 398.375 0.898 0 50 GCAA CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1 268440200 CMWHGQZCJNJESA-MRXNPFEDSA-N 399.494 0.976 0 50 GCAA COc1ccccc1N1CC[C@H](NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)C1=O 273558130 XNKAZMGNCCXJBS-OAGGEKHMSA-N 390.484 0.897 0 50 GCAA Cc1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)n(C)n1 299772990 BJIWTWAWKBCHAT-QGZVFWFLSA-N 389.500 0.703 0 50 GCAA COCCn1cc(C[C@@H]2N=C(O)N(CC(=O)N3[C@@H](C)CCC[C@H]3C)C2=O)nn1 328614644 WNPLAGHASIVULT-GUTXKFCHSA-N 392.460 0.381 0 50 GCAA CN1CCO[C@H]2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C[C@@H]21 332783660 LITOZFIMSXJPJU-HOTGVXAUSA-N 386.456 0.998 0 50 GCAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408516340 LCGJFSVZTKRXDA-XNXCIOHSSA-N 376.453 0.716 0 50 GCAA CC(=O)N1CCOC2(CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)C1 827921120 LNSKIBYJZQYLQZ-UHFFFAOYSA-N 384.436 0.636 0 50 GCAA COc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc2ccccc12 1704306175 RYZUPNCZNIXAGK-LRDDRELGSA-N 393.465 0.880 0 50 GCAA O=C1NC2(CCC2)C2(CCN(C(=O)CCc3cccc4c3B(O)OC4)CC2)O1 1776003242 YGZPZPUNJWXYHE-UHFFFAOYSA-N 384.241 0.861 0 50 GCAA Cc1ccccc1S(=O)(=O)NC[C@H]1C[C@@H](O)CN1c1cc(N(C)C)ncn1 1857527503 BOXXZPZTSRGXCD-HUUCEWRRSA-N 391.497 0.769 0 50 GCAA CSCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3nonc3C)[C@H]3CC[C@]2(C1)O3 1857719442 LFLNWSNISNYAHA-SFDCBXKLSA-N 380.470 0.867 0 50 GCAA CC(C)(C)C(=O)N=[S@@](C)(=O)c1cnn2c1CN(C(=O)Cn1ccnn1)CC2 2325784906 SUXIIWOFEMPYJL-MHZLTWQESA-N 393.473 0.546 0 50 GCAA CNC(=O)c1cc(NC(=O)c2nnn([C@@H]3CCOC3)c2C)cc(C(=O)NC)c1 2325872572 DQXYWHDOYDBYMA-CQSZACIVSA-N 386.412 0.519 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 4196778 VSWDJQDTXNUZAG-AWEZNQCLSA-N 386.495 0.778 0 50 GCAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 65362995 PFNPVWVVFFLMQP-INIZCTEOSA-N 397.497 0.964 0 50 GCAA CC(C)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1nnc2n1CCNCC2 67695700 OUDDWENTDLBOLS-AWEZNQCLSA-N 383.518 0.452 0 50 GCAA CN1C[C@H](C(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)CC1=O 72171230 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CC(C)[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 409413026 BPZIHVOQIIUTND-KGLIPLIRSA-N 391.424 0.749 0 50 GCAA CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1 414338294 LSIWWZVLPHJOKA-GFCCVEGCSA-N 385.442 0.574 0 50 GCAA COc1cccc2ccc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)nc12 1615965150 KFFKFNDJAXUHAH-ZBFHGGJFSA-N 379.482 0.928 0 50 GCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cn3ccc(O)nc3=O)C1)CC2 1704341679 ZAALSPPIFIDTPK-IBGZPJMESA-N 384.440 0.312 0 50 GCAA Nc1nnc(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)s1 1772809669 ZUFVFZHNNSWDTK-SECBINFHSA-N 380.499 0.835 0 50 GCAA Cc1cc(S(=O)(=O)N2CCO[C@]3(CCN(c4ccncc4F)C3)C2)n(C)n1 1857695879 CGZOPAWPLXXDAV-KRWDZBQOSA-N 395.460 0.933 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857724899 RGAKYWYCGIYYAQ-GFCCVEGCSA-N 397.501 0.230 0 50 GCAA COC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NCc3cc[nH]n3)C[C@H]2O)cc1 1875245669 KVJBRKIFHDXSOY-NUEKZKHPSA-N 386.408 0.382 0 50 GCAA Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C(=O)N(C)CCc2ccccn2)C[C@@H]1O 2100544911 AWXXBQKWMBZULI-BPUTZDHNSA-N 386.456 0.469 0 50 GCAA C[C@H](NC(=O)[C@@H](N)CN1CCCC1=O)c1cc(F)ccc1N1CCN(C)CC1 2325814066 ONGACVKWTWRIIY-YOEHRIQHSA-N 391.491 0.704 0 50 GCAA O=C(O)CN1CCC[C@H](CNS(=O)(=O)c2cccc3ccncc23)C1=O 2325875473 SYIFJXKBOLDSPF-CYBMUJFWSA-N 377.422 0.836 0 50 GCAA CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886831 LAKLLSGBRPJFAB-OIISXLGYSA-N 399.447 0.879 0 50 GCAA CN1CCCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccc(O)n3)C2)CC1 2356153603 NRVYYWHBXHZNJW-NUEKZKHPSA-N 376.457 0.211 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CN3CCNC(=O)C3(C)C)C2=O)c1 12836143 FSUGDBWZGGXYNV-FQEVSTJZSA-N 375.469 0.759 0 50 GCAA O=C(Nc1c(Cl)cccc1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](CO)C(=O)N2C1 14542423 WWFYHUUVQUAHKR-XROYCOCOSA-N 387.223 0.575 0 50 GCAA Cc1nc(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77439536 HEDJBDDRPGAICN-QWHCGFSZSA-N 379.467 0.370 0 50 GCAA CN(C)c1nc2c(c(N3C[C@H](CO)[C@H](CN4CCOCC4)C3)n1)CCCC2 91914969 XYTBFQDWZUPSII-HZPDHXFCSA-N 375.517 0.798 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCNCC3)c2)cn1 95357593 FPVHMFZIZJYSTR-UHFFFAOYSA-N 377.470 0.334 0 50 GCAA Cn1ccnc1CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2)c1 97436828 GTUQCNICYIQZTH-AWEZNQCLSA-N 377.470 0.380 0 50 GCAA Cc1noc(CN(C)C(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)n1 97819683 XPASOHDUIALNDD-ZDUSSCGKSA-N 380.426 0.717 0 50 GCAA O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC(Cn2cccn2)CC1 123954670 WAMJEAFGLLPFEX-UHFFFAOYSA-N 398.515 0.917 0 50 GCAA O=C(C[C@@H]1CCNC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 128562744 VVDHDQCGOHDBDV-ZDUSSCGKSA-N 377.470 0.395 0 50 GCAA CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 216364031 YJTHQNGIHHKOEL-INIZCTEOSA-N 379.424 0.827 0 50 GCAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 275356748 UWYVMWUDJFVYPJ-DZGCQCFKSA-N 377.426 0.881 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 328603349 FUIDNQNQRYMSMF-INIZCTEOSA-N 396.465 0.363 0 50 GCAA Cc1nnnn1[C@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccccc1 426368319 OBLNYJXNSBWXPB-KRWDZBQOSA-N 375.396 0.863 0 50 GCAA COCCN(CCNC(=O)[C@]1(C)CCCS1)C(=O)CN1CSCC1=O 1875345895 MBOCQWHNBBPBPU-INIZCTEOSA-N 389.543 0.396 0 50 GCAA COC(=O)c1ccc(NC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1940198016 HWJJKCYPLUQTIU-JSGCOSHPSA-N 385.442 0.501 0 50 GCAA O=C(NCc1cc2cc(F)ccc2[nH]1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 2325814100 USEARQXKWQDFOZ-UHFFFAOYSA-N 384.415 0.991 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN1CCOCC1 20394437 NMFILESMUAQYKP-UHFFFAOYSA-N 381.498 0.842 0 50 GCAA COC(C)(C)C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71749524 RJGWTVXSXDUNLP-KRWDZBQOSA-N 394.560 0.888 0 50 GCAA O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 100586875 PGYHHLNKTGLNSE-UOVPBQLFSA-N 380.448 0.647 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)CCc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 216420202 BIBZFISLEDGRTH-CABCVRRESA-N 380.470 0.006 0 50 GCAA CNCC1CCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 237103718 ZLUVNFJPASUGKV-GOSISDBHSA-N 399.495 0.582 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1nnc(-c3cccnc3)o1)C2 248050038 XHZPDSQSXACVIR-CABCVRRESA-N 384.440 0.643 0 50 GCAA O=C(O)c1cccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 261697320 BWZTWDNIORNQCE-UHFFFAOYSA-N 383.408 0.644 0 50 GCAA C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCN1 262618011 HZBVIXCCRFEAEF-GXTWGEPZSA-N 393.465 0.444 0 50 GCAA O=C1CN(C(=O)c2cccc(-c3c[nH]c(C(=O)N4CCOCC4)c3)c2)CCN1 299797241 QFFAYCVEWYSVAV-UHFFFAOYSA-N 382.420 0.726 0 50 GCAA CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1=O 332761989 VAIXIWMGQYHYIE-UONOGXRCSA-N 394.497 0.730 0 50 GCAA CCSc1ncc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cn1 426399313 ZDITXILHRFUUEM-UHFFFAOYSA-N 382.515 0.850 0 50 GCAA C[C@H](C[S@](C)=O)N(C)c1ncnc2c1ncn2CC1(CO)CCOCC1 888097083 ABAKWWKGANQTFQ-SRGMZFCMSA-N 381.502 0.819 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1scc2c1OCCO2 1704344400 PNJOCCIWJZOHEF-VHSXEESVSA-N 376.456 0.156 0 50 GCAA COCc1nnc(N2C[C@H](C(=O)NCC3(Cn4cccn4)CC3)CC2=O)s1 1857715832 KJIDGPMPSMKJGF-GFCCVEGCSA-N 390.469 0.831 0 50 GCAA CN(CCc1ccccc1)C[C@@H](O)C1CCN(C(=O)CCn2cnnn2)CC1 1857728127 OQWURJOQDOTDMX-LJQANCHMSA-N 386.500 0.837 0 50 GCAA Cc1cnc(N2CCOCC2)nc1C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 1875293407 OTHDSASFNBTLLD-OAHLLOKOSA-N 377.489 0.539 0 50 GCAA C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cnc(CN)nc1C(F)(F)F 1875315298 OHOPHJVHKQCAFV-JTQLQIEISA-N 375.395 0.871 0 50 GCAA CCOCCN1C(=O)[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)c2ccccc21 1940197454 RFTUYKNABLGAFT-FQEVSTJZSA-N 382.420 0.937 0 50 GCAA C[C@H]1CN(C(=O)CCNC(=O)c2ccc3c[nH]nc3c2)C[C@@H]1N1CCOCC1 2325737727 ZJWKOCBCOGCRKT-KSSFIOAISA-N 385.468 0.862 0 50 GCAA Cc1ccnn1CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCO1 2325879129 IZVBLPWLSVNZEV-DOMZBBRYSA-N 393.394 0.911 0 50 GCAA CC(=O)N(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 892808 IKUKNHMYVVJZOQ-UHFFFAOYSA-N 384.396 0.055 0 50 GCAA CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(F)cc1 4839883 OCSKZRQMCMLXBP-ZDUSSCGKSA-N 381.429 0.983 0 50 GCAA CN(CCCCN1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 11844423 JVUXJAWYMBZPDW-KRWDZBQOSA-N 382.549 0.794 0 50 GCAA CCCS(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1C[C@@H]1CCCO1 20911211 ZCAKKJFOACRNRH-KRWDZBQOSA-N 398.529 0.910 0 50 GCAA CCN(C)CC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71776367 LMGZVFPATSEDAN-SFHVURJKSA-N 393.576 0.415 0 50 GCAA CCCN1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 72473870 DKHCGXWOTJFEFR-SJORKVTESA-N 389.477 0.862 0 50 GCAA CC(C)C1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 77436631 VSSSIKIQRHYCBU-JKSUJKDBSA-N 379.530 0.924 0 50 GCAA Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CNCCO3)CC2)CC1=O 91830721 SRJJDSWOTXGQDJ-INIZCTEOSA-N 376.457 0.621 0 50 GCAA COCCN1C[C@H](NC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)CC1=O 97553308 HEYCYPVULWREPO-LLVKDONJSA-N 388.421 0.566 0 50 GCAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCc1cccc(O)n1 426612295 GOPHELUBYYDHFS-UHFFFAOYSA-N 375.406 0.681 0 50 GCAA CCCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(COC)s3)C2)cn1 1857710376 UMISOAASBYCIID-GFCCVEGCSA-N 378.458 0.960 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)NCCOc3nonc3C)CC2=O)s1 1857732830 JCXGUVZGGHALGE-JTQLQIEISA-N 380.430 0.730 0 50 GCAA O=C(CCCn1cncn1)N[C@@H]1C[C@H](C(=O)NCCc2ccncc2)C[C@H]1O 1875240694 DUYPNQMUKLIWDM-GVDBMIGSSA-N 386.456 0.068 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)N1CCOCC2(CCCC2)C1 1875395626 HBSIFJXRDRELPE-MRXNPFEDSA-N 396.513 0.698 0 50 GCAA Cc1c(C(=O)N(C)C2CN(C(=O)[C@H]3CCC4(CCC4)O3)C2)cnn1CCO 2325829577 NAEATZULWZTWNC-MRXNPFEDSA-N 376.457 0.568 0 50 GCAA COc1cccc(C(=O)N[C@H]2CC3(CN(C(=O)[C@@H]4CCOC4)C3)n3ccnc32)n1 2332237892 PYDIEFIBXRFYBI-HIFRSBDPSA-N 397.435 0.736 0 50 GCAA Nc1cncc(-c2ccc(C(=O)NCCS(=O)(=O)N3CCOCC3)cc2)n1 2356136411 TULADGYZXFZFDS-UHFFFAOYSA-N 391.453 0.118 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1N=c1[nH][nH]c(=N)s1 2356149198 OZWHVSQZXWZXEE-BFHYXJOUSA-N 382.534 0.522 0 50 GCAA COCCCNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2cc(O)nc3ccccc23)C1 2356159270 TVGZIOQYNRAJGW-ZLIFDBKOSA-N 387.436 0.962 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 4250540 HBANVEXXWLDHMM-UHFFFAOYSA-N 381.392 0.928 0 50 GCAA CC(=O)Nc1nc(COc2nsnc2N2CCOCC2)nc(N(C)C)n1 12364466 YHPKHHRISMEIJF-UHFFFAOYSA-N 380.434 0.163 0 50 GCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc(-c2ccncc2)no1 12579873 LKKITFQCPAWZMZ-HNNXBMFYSA-N 386.456 0.937 0 50 GCAA CS[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 16321752 XWFUCHLBRWBKGN-FQKPHLNHSA-N 378.399 0.433 0 50 GCAA biogenic O=C(NCc1cccnc1N1CCOCC1)c1cn(C[C@@H]2CCCNC2)nn1 67690317 BBYYFZSDEORARU-OAHLLOKOSA-N 385.472 0.439 0 50 GCAA Cc1sc2ncc(C(=O)N3CCNC[C@@H]3C(=O)NC3CC3)c(=O)n2c1C 72173817 AFNCPAIZVZZAQB-CYBMUJFWSA-N 375.454 0.065 0 50 GCAA Cc1ccc(CN2CCN(C(=O)C(=O)c3ccco3)[C@H]3CS(=O)(=O)C[C@H]32)o1 72424845 KOCYTFDHKCSFMK-CABCVRRESA-N 392.433 0.874 0 50 GCAA CC(C)CN1CCN(C(=O)c2ccc(CN(C)C)o2)[C@H]2CS(=O)(=O)C[C@H]21 77338158 VQOVMJVKVPITRT-CVEARBPZSA-N 383.514 0.921 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCN(C)C)[C@H]4C2=O)c1 77515694 MSGXJYKWCNGJAS-WEMPKCCASA-N 399.491 0.997 0 50 GCAA COCCN1CCC[C@@]2(CCN(C(=O)c3cnc(N(C)C)nc3C)C2)C1=O 91411244 QOBLEFDDUSCCLB-IBGZPJMESA-N 375.473 0.952 0 50 GCAA CN1CCN(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1 91603694 SVGMZAUWXBCTCH-SFHVURJKSA-N 384.546 0.593 0 50 GCAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 95391866 JVPBHEIFXIBMHA-LSDHHAIUSA-N 383.518 0.688 0 50 GCAA COC[C@@H]1CN(c2nc3c(c(N4CCO[C@H](COC)C4)n2)SCC3)CCO1 225821092 QFCOQSFWDPHVBQ-KBPBESRZSA-N 396.513 0.828 0 50 GCAA COc1cc(OC)cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1 248043590 WAZQPZYMTIHDAK-HIFRSBDPSA-N 389.452 0.855 0 50 GCAA CCC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)c1nnn[nH]1 267561061 GLFAHXJISIEXHR-AWEZNQCLSA-N 394.457 0.728 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccccc2OC)C(=O)C1 426594774 DUABYOJSYOWETM-AWEZNQCLSA-N 383.470 0.699 0 50 GCAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC1CCS(=O)(=O)CC1)C2=O 753589929 GQCLZEAJZBGHKB-SJKOYZFVSA-N 386.470 0.855 0 50 GCAA NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2cc3ccccc3s2)C1 830021264 HSEFUQHPRJPMHI-OLZOCXBDSA-N 383.495 0.966 0 50 GCAA Cc1noc(C)c1CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 952971292 IMPFGBSDZKKUBP-AWEZNQCLSA-N 395.485 0.785 0 50 GCAA CC1(C)Cc2cc(CNC(=O)N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)ccc2O1 1565528678 BGEVULXRONOOQS-CABCVRRESA-N 379.482 0.681 0 50 GCAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(CC(=O)N(C)C4CC4)CC3)[C@@H]2C1 1775962950 ZWRBXPWLJNZOCW-CVEARBPZSA-N 378.473 0.513 0 50 GCAA O=S(=O)(NCc1nc(C2CCOCC2)n[nH]1)c1ccc2nc(O)[nH]c2c1 1857527644 ZLLTWNBHMOUIAI-UHFFFAOYSA-N 378.414 0.759 0 50 GCAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC([C@H](O)CN(C)CCO)CC3)c2n1 1857719048 CZUKCJMQHHJPEJ-QGZVFWFLSA-N 389.500 0.792 0 50 GCAA N[C@@H](Cc1ccccc1)c1nc(C(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)cs1 1875251217 YWEDENSXHPGSFZ-RHMLRGBNSA-N 375.450 0.643 0 50 GCAA 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390.512 0.485 0 50 GCAA CCN(CCn1cccn1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20908384 PTJYQHPKRADPRY-GOSISDBHSA-N 391.516 0.693 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC1CCNCC1)CO2 71775631 QKIQDQRPBMPTHV-INIZCTEOSA-N 390.484 0.518 0 50 GCAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](F)C[C@H]1CNS(=O)(=O)N(C)C 82114726 JYXNJLHPDCHAKA-STQMWFEESA-N 389.497 0.975 0 50 GCAA CC(C)CCN1C[C@]2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)CCC1=O 91746773 BWLXQLGEYQIRJE-HXUWFJFHSA-N 390.484 0.814 0 50 GCAA O=C(Cn1ncc(N2CCCC2)cc1=O)N1CCN(c2ccccc2)C(=O)C1 95518494 FUEHKFOTJZWDBN-UHFFFAOYSA-N 381.436 0.719 0 50 GCAA CC(C)NC(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96135753 DZZCJSJFLHCGAK-UHFFFAOYSA-N 378.521 0.741 0 50 GCAA COCCN1C[C@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@@]2(C(=O)O)C1 247815424 AYWRXMSYKNIKGP-YWZLYKJASA-N 384.436 0.977 0 50 GCAA O=C(O)[C@@H]1COCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 299749460 KJUGHERLFGVJCP-NSHDSACASA-N 399.197 0.487 0 50 GCAA O=C1CSCN1CC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328618565 DWHOSRRNUIRLPV-AWEZNQCLSA-N 377.470 0.510 0 50 GCAA Cc1cc(=NC(=O)C[C@H]2NC(=O)c3ccccc32)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159160 IXFWGCOYNVXCTQ-SWLSCSKDSA-N 388.449 0.786 0 50 GCAA CCSCC(=O)N1CC[C@]2(C(=O)NCCc3cnn[nH]3)CCCN(C)[C@H]2C1 1857693623 FGZQETWNHBNPDR-MAUKXSAKSA-N 394.545 0.529 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cnc(O)c(Cl)c3)C[C@H]2CO1 1857721917 MHNOIPXFDWYCFZ-AGIUHOORSA-N 382.848 0.490 0 50 GCAA COCCC(=O)N1CCc2nc(C(=O)N3CCC[C@H](N(C)C)CC3)cn2CC1 1875243986 HOASFCBQJMJAPQ-INIZCTEOSA-N 391.516 0.861 0 50 GCAA O=C(O)CC[C@@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CO1 1875313751 SOUQDSSWEUPKCG-RCCFBDPRSA-N 376.453 0.792 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)N4CCCC[C@H]4C(=O)O)cccc3C2=O)C(=O)N1 2325897469 XUTRIVCMIJELIV-CABCVRRESA-N 399.403 0.527 0 50 GCAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)nc(=N)[nH]1 2356154630 CRQOSGZSMPFZLF-FUHWJXTLSA-N 378.473 0.595 0 50 GCAA Cc1ncsc1CCN(C)C(=O)Cn1nnnc1CN1C[C@H](C)O[C@H](C)C1 20455890 TXRIIDAJRLKYCV-BETUJISGSA-N 393.517 0.748 0 50 GCAA Nc1nc(N2CCOCC2)cc(N2CCC(N3CCC[C@H](CO)C3)CC2)n1 65393551 FBVYYTOWGGVKDP-HNNXBMFYSA-N 376.505 0.569 0 50 GCAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1nncn1C 95376572 GHEGVQSANMJHOD-GFCCVEGCSA-N 379.442 0.327 0 50 GCAA NC(=O)c1cccc(NC(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c1 97323928 WUWJZCPAQHHRBU-UHFFFAOYSA-N 375.429 0.824 0 50 GCAA COC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCNCC3)c2)C1 97698653 IJLCEGJBOTYSRR-HNNXBMFYSA-N 381.498 0.779 0 50 GCAA CN(Cc1nccs1)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248119072 MOZCVLGGYWKUDU-NEPJUHHUSA-N 380.499 0.145 0 50 GCAA CCc1n[nH]c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1Br 279304721 VVXMWINYMLRWRA-MRVPVSSYSA-N 379.280 0.888 0 50 GCAA Cn1nc(C(=O)NCC2CCN(C(=O)c3cncc(=O)[nH]3)CC2)c2ccccc21 952982577 ZDXHNIVYCJZXRP-UHFFFAOYSA-N 394.435 0.939 0 50 GCAA CCNc1ccnc(-c2cccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c2)n1 1565507338 UMSCKPNRHLSONF-KBPBESRZSA-N 376.438 0.463 0 50 GCAA CC(C)[C@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1NS(=O)(=O)N(C)C 1565512892 UQRCPNKDLODISR-CABCVRRESA-N 379.490 0.519 0 50 GCAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCN(CCO)CC1 1704303886 DDDSOXOESXXRPS-UHFFFAOYSA-N 386.452 0.928 0 50 GCAA O=C(CN1CCC2(CC1)C[C@](O)(CO)CCO2)NCCc1ccc(F)cc1 1704337251 YRXDXKATADQNMX-IBGZPJMESA-N 380.460 0.853 0 50 GCAA O=C(C1CCC1)N1C[C@@H]2CN(CC(=O)N3CCOc4ccccc43)C[C@@]2(CO)C1 1772705792 NRDDCUBJRVIRKL-JTSKRJEESA-N 399.491 0.965 0 50 GCAA CN(C)C[C@@]12CN(C(=O)CCc3ccccc3)C[C@H]1CN(C(=O)c1cnn[nH]1)C2 1772708928 GJSKYCMNIMTYDW-UWJYYQICSA-N 396.495 0.900 0 50 GCAA CN1CC[C@]2(C(=O)NCCn3cncn3)CCCN(C(=O)c3ccc[nH]3)[C@H]2C1 1775980683 HFZLOEHTLQNVBJ-QFBILLFUSA-N 385.472 0.349 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCN(c3cnn(C)c3)CC2)ncn1 1857527276 PULTYYCXMJRIJG-NVXWUHKLSA-N 386.504 0.038 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)CCN3CCCCCC3=O)CCO2)n1 1857710103 HSKFILJPIBITRG-CQSZACIVSA-N 380.449 0.012 0 50 GCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc(CN2CCOCC2)cn1 1875402854 MOHXTTOLHUAACH-QXAKKESOSA-N 385.468 0.680 0 50 GCAA Cc1nc(C(=O)NCc2cnn(CCO)c2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403960 NAFGOBNVZCMERH-MRXNPFEDSA-N 387.488 0.353 0 50 GCAA CCc1c(C)nc2nc(=NC(=O)Cc3ccc(-n4nnnc4C)cc3)[nH]n2c1O 2100482973 JYBABSAAXLRWRO-UHFFFAOYSA-N 393.411 0.588 0 50 GCAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCn1cc(Br)c(O)nc1=O 2325804793 QKYLKYLWXXCNDA-SKDRFNHKSA-N 385.262 0.700 0 50 GCAA O=C(CN1CCC[C@H](n2ccc(O)nc2=O)C1)Nc1ccc2nc(O)[nH]c2c1 2325850974 MEZRZXFEBCRUHF-LBPRGKRZSA-N 384.396 0.806 0 50 GCAA CC1(C)CNCC[C@@H]1NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895903 MCZMVLZNFDWIPV-CVEARBPZSA-N 398.463 0.566 0 50 GCAA COc1cccc(CN2CCCN(C)CC2)c1OC[C@H](O)CN1CCOCC1 39543306 RIQGLESOKGETGF-LJQANCHMSA-N 393.528 0.905 0 50 GCAA Cc1c(CN(C)S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cnn1C 67541926 CWCQABDIMQPUNK-UHFFFAOYSA-N 384.483 0.955 0 50 GCAA O=C(NC(CO)CO)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71764737 ZXVUHQJQIZIHBN-QGZVFWFLSA-N 376.501 0.227 0 50 GCAA O=C(c1ccccc1-c1nc[nH]n1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91932987 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GCAA CCCS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2C)cc1 1875402441 GSYZCVHEFHUKBP-KDOFPFPSSA-N 384.498 0.682 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCC[C@@H](O)C4)ccc3C2=O)C(=O)N1 2325897385 VSHBUANPQOEKNR-UKRRQHHQSA-N 386.408 0.436 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnccn1 12386139 RLVKPQGFOREKKB-KRWDZBQOSA-N 383.452 0.535 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccon2)c(OC)c1 72140548 DHFNXGQQVHBPFS-MRXNPFEDSA-N 388.424 0.699 0 50 GCAA COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(OC)c(F)c3)C[C@@H]2C1 91997876 ACEFPYNBMVRQNN-LIRRHRJNSA-N 380.416 0.906 0 50 GCAA O=C(NS(=O)(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)C2CC2)C1 408277660 RTTFFXSTQLVNET-GFCCVEGCSA-N 380.422 0.869 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 409413305 KBUUEAOZQONUSS-CQSZACIVSA-N 388.405 0.413 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2n[nH]c(C)n2)cc1OC 1529185801 QGWRCYQKCKQEGW-CVEARBPZSA-N 375.385 0.003 0 50 GCAA Cc1nsnc1C(=O)N1C[C@@H]2CN(c3nccc(N)n3)C[C@@]2(CN(C)C)C1 1772805974 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CCn1c([C@@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)nn(C)c1=O 67742929 HVPSAFNOFVFWNI-CYBMUJFWSA-N 382.424 0.629 0 50 GCAA O=C(Cn1cccn1)N1CCN(CCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 82147172 UAXBRZLYLRESMT-MSOLQXFVSA-N 388.493 0.436 0 50 GCAA Cc1nn(C)c(C)c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 91745836 CODVMHXKAGJULN-SJORKVTESA-N 391.516 0.980 0 50 GCAA CN1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccc4[nH]nnc4c3)C2)CC1 91829978 CRTINRLWWAZQER-CVEARBPZSA-N 386.500 0.666 0 50 GCAA CS(=O)(=O)N1CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95524046 VUTUXKOQCGZMTE-UHFFFAOYSA-N 376.438 0.335 0 50 GCAA O=C(c1c[nH]c2ncnn2c1=O)N1CCC2(CC1)Nc1ccccc1NC2=O 102257535 FEAUYQKZJYEFDW-UHFFFAOYSA-N 379.380 0.457 0 50 GCAA CC(C)CNS(=O)(=O)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 170576305 QTGXUWJGZMKFIS-UHFFFAOYSA-N 394.453 0.500 0 50 GCAA CC[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cn2cccnc2n1 221380038 PSDUFCUMGUUYBT-OAHLLOKOSA-N 380.456 0.909 0 50 GCAA C[C@H](N)[C@@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 237489288 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CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@H]12 1857716920 GZLUZXLJRCOQAW-PCBIJLKTSA-N 375.425 0.717 0 50 GCAA Cn1cc(C(=O)N2CC[C@@H](Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326381 IOBPDRLZQBIXTO-GFCCVEGCSA-N 381.396 0.934 0 50 GCAA O=C(CN1CC[C@]2(CCN(C(=O)c3cnc4[nH]c(O)nc4c3)C2)C1)N1CCC1 1875362155 TVTAUWITRMHCGS-IBGZPJMESA-N 384.440 0.434 0 50 GCAA Cn1ncnc1C1(O)CN(S(=O)(=O)c2c(O)cc(Cl)cc2Cl)C1 1875393089 GCFJNQMTVVYGKU-UHFFFAOYSA-N 379.225 0.720 0 50 GCAA COc1cccc(CNC(=O)[C@H]2CC[C@@H](NC(=O)Cc3cc[nH]n3)[C@H](O)C2)c1 2100544743 HSPIACNUGGMUCH-BMGDILEWSA-N 386.452 0.923 0 50 GCAA O=C(Cn1ccc(C(F)F)n1)NS(=O)(=O)c1ccc2ncnc(O)c2c1 2325853269 KBJPATOZMWEZLP-UHFFFAOYSA-N 383.336 0.975 0 50 GCAA NCC1(NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CCCC1 2325896170 SHAFQTMWKFTJLA-HNNXBMFYSA-N 384.436 0.449 0 50 GCAA COc1ccc(N2C(=O)C[C@H](N3CCN(CC(=O)NC(C)C)CC3)C2=O)cc1 20351461 HSZJOCLGKAEIHG-KRWDZBQOSA-N 388.468 0.469 0 50 GCAA CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 20722661 ZVUMJUUGUFRSMK-HNNXBMFYSA-N 387.436 0.940 0 50 GCAA CN1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 67622711 URPQZRSCSHUBQG-UHFFFAOYSA-N 394.541 0.588 0 50 GCAA Cc1nnnn1CCCN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72421002 BEFOOIGDVPIRLY-HNNXBMFYSA-N 376.461 0.549 0 50 GCAA CCN(C)S(=O)(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 91656505 VGFWUSHGXJFYNG-INIZCTEOSA-N 383.518 0.849 0 50 GCAA CC(C)c1ccc(C(=O)N2CCN(CCN3CCOCC3)CC2)c(=O)n1C 215826686 YRSQDPVRDAMGSC-UHFFFAOYSA-N 376.501 0.599 0 50 GCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1c(C)nc(O)nc1C)C2 247823496 DUFYUAPNJBSGOL-CABCVRRESA-N 376.457 0.827 0 50 GCAA COc1cccc2c1OC[C@H](NC(=O)CN1CCN(c3ncccn3)CC1)C2 824804885 QLVOJKWJOFIPHQ-MRXNPFEDSA-N 383.452 0.727 0 50 GCAA COc1ccc([C@@H](O)CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)cc1 845810740 MXLQDEHZARCUAG-ROUUACIJSA-N 390.411 0.704 0 50 GCAA O=C1CC[C@@H](C(=O)N2CCOC3(CCN(CCc4ccc(O)cc4)CC3)C2)N1 952868643 QQWGCANRDZXCDM-SFHVURJKSA-N 387.480 0.907 0 50 GCAA C[C@@]1(O)CCOC2(CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)[C@H]1O 1704300185 WFNKKCZFSVCSHX-JKSUJKDBSA-N 385.438 0.440 0 50 GCAA CS(=O)(=O)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1875390818 PMJYEAYDDWJQPU-UHFFFAOYSA-N 392.363 0.435 0 50 GCAA CNC(=O)C[C@@H]1CN(C(=O)NCCN2CC(C)(C)Oc3ccccc32)C[C@H]1O 1875402080 AUYHHAIOWZEBIH-GDBMZVCRSA-N 390.484 0.802 0 50 GCAA CC[C@]1(C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 2325793195 KINQZFMQBBADNW-RDTXWAMCSA-N 375.473 0.387 0 50 GCAA CC(C)(C)[C@H](CC(=O)N1CCN(C(=O)CNC(N)=O)C[C@H](O)C1)C(F)F 2325878616 WGEGCNPGMQHAKL-GHMZBOCLSA-N 378.420 0.004 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NC[C@H]4CCCCCN4)ccc3C2=O)C(=O)N1 2325895565 DGVOPAIZONGUBI-WBVHZDCISA-N 398.463 0.710 0 50 GCAA Cc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n(C)n1 2732550 JUYIEZFCVTVDIX-AWEZNQCLSA-N 394.501 0.488 0 50 GCAA O=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 2878074 CNEUTNYKWVUXJO-INIZCTEOSA-N 398.341 0.736 0 50 GCAA CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 20118904 IPMGSRUZMDGZIP-UHFFFAOYSA-N 390.303 0.844 0 50 GCAA NC1(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)CC1 71752112 IUAKUCKQMJGWFK-KRWDZBQOSA-N 385.512 0.892 0 50 GCAA COCC(=O)N1CCOC[C@@]2(CN(Cc3cccc(C(C)=O)c3)CCO2)C1 72146947 FMCJIRIXPCEFFA-HXUWFJFHSA-N 376.453 0.965 0 50 GCAA O=C(C[C@H]1COCCN1S(=O)(=O)c1ccccc1F)NCCn1cccn1 72420210 FMELPFXSGPWUBM-AWEZNQCLSA-N 396.444 0.618 0 50 GCAA O=C1[C@H]2[C@@H](C(=O)N3CCSCC3)[C@@H]3C=C[C@@]2(CN1CCN1CCCCC1)O3 77516611 AMXJVXOFFAXAJG-LJCCNALRSA-N 391.537 0.830 0 50 GCAA CN1CCN(C[C@@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]2CO)CC1 91860133 DYAWGHZTSMEIGK-WOJBJXKFSA-N 388.560 0.755 0 50 GCAA COCCN1CCC[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1=O 92099348 VJZBHUJPTNMMPP-LJQANCHMSA-N 376.457 0.348 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)C2=O)cn1 117695936 KLINXYWKGJROOK-MSOLQXFVSA-N 395.463 0.875 0 50 GCAA CC[C@H](OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 170591123 VSTLYKOLOMFVNI-BPUTZDHNSA-N 399.465 0.922 0 50 GCAA O=C(N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)C1(c2cccnc2)CCCC1 368194600 RNERXWSFOVCGBI-UHFFFAOYSA-N 390.469 0.545 0 50 GCAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ccc(CC(=O)NC4CC4)cc2)[C@@H]3C1=O 952969552 FHYWWIJGJFPGPN-JWVYWZTKSA-N 381.432 0.858 0 50 GCAA CC(C)(C)NS(=O)(=O)CC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1318357342 BQFODYFJQKVKNZ-QGZVFWFLSA-N 396.469 0.075 0 50 GCAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c2c(O)nc(=O)n(C)c2n1 1704297940 AWGLCJOHCSRTQA-HIFRSBDPSA-N 395.419 0.725 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]2O)on1 1704354213 WVMIDJFRLQXRGF-PBHICJAKSA-N 378.450 0.991 0 50 GCAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCCOCCO 1857691411 JWNITDVDWUBXRL-QGZVFWFLSA-N 387.484 0.598 0 50 GCAA CN(C)C1CCN(CCNC(=O)NC[C@@]2(O)CCOc3ccccc32)CC1 1875278373 UMPSTOKSQDWCLL-FQEVSTJZSA-N 376.501 0.982 0 50 GCAA Cc1nc(C2CC2)oc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 1875329735 GDTASFHRUGMZOY-ZDUSSCGKSA-N 390.440 0.032 0 50 GCAA CN1C[C@@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)Cc1cncc(O)c1)C2 1875395346 BNIQTUVDGPTTMZ-INIZCTEOSA-N 382.468 0.744 0 50 GCAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N[C@@H]3CCOC3)c2)CC1 12298813 FXJAHXYHJHWRPX-OAHLLOKOSA-N 397.497 0.855 0 50 GCAA O=C(CNS(=O)(=O)c1cccs1)NCc1cccnc1-n1ccnc1 56653883 RWLJOBMRSJEJBH-UHFFFAOYSA-N 377.451 0.924 0 50 GCAA O=C1CCCN1CC1CCN(C(=O)c2ccc(NC[C@@H](O)CO)nc2)CC1 67739891 JOWHKFRNDBZBEW-MRXNPFEDSA-N 376.457 0.321 0 50 GCAA O=C(C1CCC1)N1CCN(C(=O)c2ncccc2O)[C@H]2CS(=O)(=O)C[C@H]21 72480709 SVQDWLGTQHSVBP-OLZOCXBDSA-N 379.438 0.037 0 50 GCAA O=C(Cn1cccnc1=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91536241 NQFDTNDCYHLANO-UHFFFAOYSA-N 384.440 0.289 0 50 GCAA CC(C)CN1CCn2nc(CNC(=O)[C@H]3CSC(C)(C)C(=O)N3)cc2C1 91849112 HAYCJMGAUXPBQK-OAHLLOKOSA-N 379.530 0.981 0 50 GCAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H](N)[C@@H](C)O)CC3)cn1 91860666 GUAAXIJIJOZGLV-PBHICJAKSA-N 375.473 0.224 0 50 GCAA O=C1CNC(=O)N1CC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95359953 PJVQCSSSIVLYJG-KFKAGJAMSA-N 384.436 0.333 0 50 GCAA C[C@@H](O)CNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95497979 XOIZGENKMRCCIE-CYBMUJFWSA-N 385.486 0.447 0 50 GCAA CCN1CCN(C(=O)CCC2CCN(Cc3noc(C(N)=O)n3)CC2)CC1 95507423 ILBWBQZOHKXPHR-UHFFFAOYSA-N 378.477 0.325 0 50 GCAA COc1ccc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c(F)c1F 96130301 FLCCJUKFOUPMKF-KGLIPLIRSA-N 397.422 0.674 0 50 GCAA CC(C)(C)c1cc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)[nH]n1 221258643 TYTXNCFUUIFMPI-OAHLLOKOSA-N 381.502 0.998 0 50 GCAA COC(=O)c1cn(-c2cccc(C(=O)N3CCNC(=O)C3)c2)cc2c(=O)[nH]nc1-2 253405455 IHHPECABXKQWNC-UHFFFAOYSA-N 395.375 0.024 0 50 GCAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCC(=O)NC(N)=O 268143688 DSWQCSMHKSVRRV-CQSZACIVSA-N 377.376 0.055 0 50 GCAA C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@](O)(C(N)=O)C1 286135538 KHYIPZCRPCEHCA-HRAATJIYSA-N 388.512 0.468 0 50 GCAA C[C@]1(c2cccc(C(=O)N3CCC[C@H](c4nnc(O)o4)C3)c2)NC(=O)NC1=O 425311684 YHFOUEHZRZQDKU-BBATYDOGSA-N 385.380 0.850 0 50 GCAA CN(C[C@H]1CCN(c2ccccc2)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 952988684 KGOIGLDKMAILLX-CQSZACIVSA-N 392.481 0.231 0 50 GCAA O=C(NCc1ncc2c(n1)CCC2)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1347128448 KILPXQOZMLCYJO-MAUKXSAKSA-N 398.438 0.925 0 50 GCAA O=C(Cn1cc2ccccc2n1)N1C[C@@H]2CN(Cc3cncnc3)C[C@@]2(CO)C1 1772808750 ZXHIYDJDTVGHPK-RXVVDRJESA-N 392.463 0.779 0 50 GCAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@]2(CO)C1 1772812292 FBJUMFVRRPPPAP-RDTXWAMCSA-N 396.513 0.783 0 50 GCAA COC[C@@H](CCNC(=O)c1ccc(N2CC34COCC3(COC4)C2)nn1)OC 2325825582 VXWFYDFSLYCWPT-FTXHTYHOSA-N 392.456 0.111 0 50 GCAA COc1cc(C)c(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c(C)c1C 2386634 LXWXIEIEVQMHPJ-LBPRGKRZSA-N 386.474 0.615 0 50 GCAA CCS(=O)(=O)c1ncc(CN(C)CCCN2CCOCC2)n1CCOC 11936201 FXDZPHWAEWIXSL-UHFFFAOYSA-N 388.534 0.477 0 50 GCAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N[C@@H]1CCS(=O)(=O)C1 12296321 AAKSDVYBQGRKBH-GFCCVEGCSA-N 390.465 0.539 0 50 GCAA biogenic COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(CCO)C(C)C)c(OC)c1 15073054 DALYEOVUPZIMKG-KRWDZBQOSA-N 393.484 0.624 0 50 GCAA O=C1CC[C@@H](C(=O)N2CCOc3ccccc3C2)CN1CCN1CCOCC1 20601326 OMVYUBHRBVIAOK-GOSISDBHSA-N 387.480 0.978 0 50 GCAA O=C1NCCN(Cc2ccccn2)[C@H]1CC(=O)N(CCO)Cc1cccs1 55120473 XUAYCICUPJYTFJ-KRWDZBQOSA-N 388.493 0.855 0 50 GCAA CCn1c(N2CCN(Cc3ccccc3F)CC2)nc2c1c(=O)[nH]c(=O)n2C 55562721 MFRWPDWBFOOMGE-UHFFFAOYSA-N 386.431 0.905 0 50 GCAA CSCC[C@H](NC(C)=O)C(=O)N1CCc2c(ncnc2N2CCOCC2)C1 71771478 GTCZVUKRVZPOPG-HNNXBMFYSA-N 393.513 0.456 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91255724 RXKSQGXUUJRIEH-UHFFFAOYSA-N 398.463 0.970 0 50 GCAA O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]nc2-n2cnnn2)C1)c1cccs1 95508134 OVATYPDUOWTECP-NSHDSACASA-N 386.441 0.729 0 50 GCAA CC(C)CN1CCCn2nc(CNC(=O)c3cc(=O)n(C)c(=O)n3C)cc2C1 97413252 RGCHTHFKIYGUKO-UHFFFAOYSA-N 388.472 0.072 0 50 GCAA O=C1CCN(c2ccccc2C(=O)N[C@@H]2CCOC[C@H]2OCCO)C(=O)N1 219245634 UBZUOYBDYYVZKA-UKRRQHHQSA-N 377.397 0.029 0 50 GCAA Cn1cccc1C(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 220044885 MLGMZIMSQBPVGI-JKSUJKDBSA-N 388.449 0.184 0 50 GCAA CN1N=C(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)O)cc2)CCC1=O 222950998 XHMRHNIRTPXPDD-HUUCEWRRSA-N 375.381 0.646 0 50 GCAA O=C(CN1CCC(C(=O)N2CCOCC2)CC1)Nc1cccc(C(=O)O)c1 299784495 NYWNWLIEZIFVFA-UHFFFAOYSA-N 375.425 0.894 0 50 GCAA CN(C)c1ccc(S(=O)(=O)NC2[C@H]3CC(N)C[C@H]2CS(=O)(=O)C3)cc1 374182419 IOFGGNRYCIMIOL-HSWOEZIZSA-N 387.527 0.181 0 50 GCAA O=C1CN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CCN1C1CCCC1 426435464 XETVJKYCKJCYSF-AWEZNQCLSA-N 375.473 0.976 0 50 GCAA CC(C)CN1N=C(C(=O)NS(=O)(=O)c2cnn3c2OCCC3)CCC1=O 816202624 AGHNAVGIRKSEKS-UHFFFAOYSA-N 383.430 0.105 0 50 GCAA Cc1ccn(CC(=O)N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(S(C)(=O)=O)CCO2)n1 1857674359 FKCHJSOJZHJQSL-QLPKVWCKSA-N 382.486 0.376 0 50 GCAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@]23CC[C@H]1O3 1875244237 GEVHMXMKOPXZFN-DODZYUBVSA-N 399.557 0.664 0 50 GCAA CCOC(=O)[C@@]1(F)CN(C(=O)N2CCOC[C@@H]2c2cnn(C)c2)CC12COC2 1875318617 JIBBWQGDLPQUCF-KDOFPFPSSA-N 396.419 0.517 0 50 GCAA NC(=O)NS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2COC3=O)cc1 1875343159 FCOREPMHRGQNEH-UHFFFAOYSA-N 375.362 0.966 0 50 GCAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc([C@@H]4CCCCN4)nn3)C2=O)C(=O)N1 1875356281 NLQQOMUGLLIDPU-YOEHRIQHSA-N 394.435 0.843 0 50 GCAA Cc1nc(C(=O)N(C)CC(C)(CO)CO)nc(N2CC[C@@H](N(C)C)C2)c1C 1875402640 JOBLFDOPJRASDU-OAHLLOKOSA-N 379.505 0.297 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc2[nH]c(=N)sc12 2100541059 UGOYVEHCTSXOHD-CABZTGNLSA-N 384.483 0.345 0 50 GCAA CCN1CCC[C@H](N2CC(NC(=O)COc3cccc(C(=O)NC)c3)C2)C1=O 2325753890 YKOVJUXNSUDGSC-KRWDZBQOSA-N 388.468 0.236 0 50 GCAA CN1CCN(C(=O)c2cnn3cc(C(N)=O)cnc23)[C@H](Cc2ccccc2)C1 2325804912 BUIHCADKAHLXGT-MRXNPFEDSA-N 378.436 0.827 0 50 GCAA COc1ccccc1CNC(=O)CN1CCC[C@@]12CCCN(CCO)C2=O 2356151646 RHYXNSFJCVSIDW-HXUWFJFHSA-N 375.469 0.761 0 50 GCAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCS(=O)(=O)CC1 2356155203 BORMQEWDOLJVMP-WTANOLMUSA-N 389.477 0.575 0 50 GCAA COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 1544805 ICMGLRUYEQNHPF-UHFFFAOYSA-N 387.484 0.717 0 50 GCAA world CN1CCN(c2ncccc2CNC(=O)Cn2nc(Cl)ccc2=O)CC1 67981831 IIMUWKBMYJSDDA-UHFFFAOYSA-N 376.848 0.360 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2ncoc2C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 77299604 MTKPFVXBZFOBSS-NWDGAFQWSA-N 382.442 0.157 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccnc1N(C)C)CC2 91830505 JJAFOBIERZTEFD-UHFFFAOYSA-N 385.472 0.793 0 50 GCAA O=C1NC[C@]2(CCCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)O1 95376405 SVUCIYUJTVLKPE-KRWDZBQOSA-N 379.438 0.842 0 50 GCAA O=S(=O)(c1ccc2c(c1)COC2)N1CCCN(S(=O)(=O)C2CC2)CC1 328763119 ZTZIVCVKPIUJSV-UHFFFAOYSA-N 386.495 0.905 0 50 GCAA Cc1noc(C)c1CCC(=O)N1CCCN(C(=O)C2=NNC(=O)CC2)CC1 1529178503 MUXJPBFVKLDQRW-UHFFFAOYSA-N 375.429 0.551 0 50 GCAA COc1cc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H](C)NC(=O)c2ccco2)on1 1875325989 JJPAWROBALEAQD-NWDGAFQWSA-N 390.396 0.816 0 50 GCAA CC(=O)NCC12CC(C(=O)NCCO[C@@H]3CC3(F)F)(C1)C1(CCNCC1)O2 1875393363 LNTUFWLKBLBGDA-IUDNXUCKSA-N 387.427 0.334 0 50 GCAA NC(=O)c1ccc2[nH]c(CN3CCC[C@@]34CCCN(CCO)C4=O)cc(=O)c2c1 2356149206 PFDQJAFCIXIALD-OAQYLSRUSA-N 398.463 0.576 0 50 GCAA Cc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)n1 6173455 RTTDHQGWVPUJOV-UHFFFAOYSA-N 394.478 0.661 0 50 GCAA C[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 65361928 FEZPXNOEXXLPJA-ZDUSSCGKSA-N 389.905 0.943 0 50 GCAA Cc1nc(N)nc(C)c1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 95392046 FBUOILSHYSJHRI-LSDHHAIUSA-N 395.467 0.771 0 50 GCAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)CCCn1cnc2ccccc2c1=O 96162628 SJQHFDVSPKMKQJ-MRXNPFEDSA-N 381.392 0.938 0 50 GCAA CC[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1cccc3c1nnn3C)C2 223969714 KZIXDASXUQBGQI-CQSZACIVSA-N 376.442 0.813 0 50 GCAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cn1 275226477 COZPNERXVPWFAM-DLBZAZTESA-N 390.465 0.997 0 50 GCAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N[C@H]1CCS(=O)(=O)C1 534657500 NUKNNDPVLLKNOV-ZDUSSCGKSA-N 395.485 0.012 0 50 GCAA CN1CC(=O)N2C[C@@H](NC(=O)N3CCC(Oc4ccncc4)CC3)C[C@H]2C1=O 584901477 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COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)C1 71746959 CSEUZDWQDZOYHE-AWEZNQCLSA-N 391.472 0.261 0 50 GCAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)C[C@H]1CNCCO1)C2 71767712 POEZIZRABLLCKS-AWEZNQCLSA-N 382.468 0.868 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ncc[nH]2)c(F)c1 72156414 VQDOPBGVPRNUDC-HNNXBMFYSA-N 375.404 0.564 0 50 GCAA CNC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72156693 BJNORMZVFGJHPM-CYBMUJFWSA-N 386.374 0.258 0 50 GCAA COc1ccc(CN2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O 72417896 PZERXPFTJFLUFE-LSDHHAIUSA-N 382.482 0.867 0 50 GCAA CC(C)=CCN1CCN(C(=O)c2sc(N)nc2C)[C@H]2CS(=O)(=O)C[C@H]21 72438729 MQVHDXFFCKVGKT-OLZOCXBDSA-N 384.527 0.923 0 50 GCAA CN1CCC(Cc2nc(-c3cnccn3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 95507772 SBPVTGMGDOHJFR-AWEZNQCLSA-N 376.486 0.979 0 50 GCAA COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCCC3=O)C2=O)cc1 253399215 CRRFMXFIZNOZQX-HNNXBMFYSA-N 388.424 0.639 0 50 GCAA COc1ccc([C@@H]2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3)cc1 263619501 YYFZOTLTDKYOJV-KRWDZBQOSA-N 387.392 0.431 0 50 GCAA CN(CCC(=O)NCc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 828026943 LGRIKTBZUQIMCP-MRXNPFEDSA-N 376.482 0.998 0 50 GCAA O=C(NC[C@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)C2CC2)CC1 952852285 BCIQOPMEABKERF-OAHLLOKOSA-N 378.498 0.693 0 50 GCAA COCC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@@H]21 1565525437 ZBNCAYPSPUHNCT-MNOVXSKESA-N 376.866 0.250 0 50 GCAA O=C(O)[C@H]1CN(C(=O)c2cnc(N3CCOCC3)nc2)CC12CCOCC2 1775984157 ICPOHYZPOFRFTB-CQSZACIVSA-N 376.413 0.267 0 50 GCAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NCCS(=O)(=O)N1CCOCC1 1857677960 GUYKGJJRQGMJDJ-UHFFFAOYSA-N 396.444 0.916 0 50 GCAA Cc1nc2sccn2c1C(=O)N[C@@H]1CN2CCCC[C@]2(C(=O)NCCO)C1 1857688747 YXOXXODZKQCESX-SCLBCKFNSA-N 391.497 0.540 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)n1 1857715302 LJYKMRXXHFBTGD-HNNXBMFYSA-N 377.449 0.203 0 50 GCAA Cn1cnnc1SCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857723477 HXDIZCQBNLJSGU-YJBOKZPZSA-N 394.472 0.861 0 50 GCAA Cc1nc(C2CC2)oc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1875329734 GDTASFHRUGMZOY-CYBMUJFWSA-N 390.440 0.032 0 50 GCAA Cn1nc(-c2ccco2)cc1CN[C@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1 1875397874 RGHSLDORRUCUNY-ZDUSSCGKSA-N 384.440 0.446 0 50 GCAA O=C(NCCN1CCOCC1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356162499 LJIGCXJNVVISCW-CEQIKUNHSA-N 384.480 0.767 0 50 GCAA O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@H]2C(=O)N[C@H](CO)C(=O)N2C1 14537879 GULZBSHKOLMTPL-TUAOUCFPSA-N 386.330 0.287 0 50 GCAA Cn1c(=O)c2[nH]c(N3CCN(Cc4ccccc4Cl)CC3)nc2n(C)c1=O 54263448 XHZPZPIHQXFSBE-UHFFFAOYSA-N 388.859 0.936 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)c2cc(C(C)C)on2)[C@H]2CS(=O)(=O)C[C@H]21 72463596 ILKRWMIIFRHQOX-KGLIPLIRSA-N 383.470 0.904 0 50 GCAA Cc1cc(S(=O)(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)n(C)n1 95510994 RCOIWBXWGOJQBH-HNNXBMFYSA-N 384.502 0.768 0 50 GCAA Cc1nc(N2CCN(C[C@H](O)COCc3ccco3)CC2)c2cnn(C)c2n1 114803534 SKBNAXJDOPXCJR-HNNXBMFYSA-N 386.456 0.964 0 50 GCAA CCCCCCn1c(C)c(C)n2c3c(=O)n(C[C@H](O)CO)c(=O)n(C)c3nc12 170624320 SGKCRAHFOSZJIC-AWEZNQCLSA-N 391.472 0.700 0 50 GCAA Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)no1 239309335 HJSXNSMPCSNNTI-RDXDGJJNSA-N 399.403 0.908 0 50 GCAA COc1ccc(-c2cccc(C(=O)N3CCN(S(N)(=O)=O)CC3)c2)cn1 426689806 CJSCZOHKFZNJNK-UHFFFAOYSA-N 376.438 0.719 0 50 GCAA Cc1noc(-c2ccc(N3CC[C@]4(O)CCN(S(C)(=O)=O)C[C@@H]4C3)nc2)n1 1565512737 YIKAFLZRNANQLO-YOEHRIQHSA-N 393.469 0.663 0 50 GCAA COCC(=O)N1CC[C@H](Nc2cc(C(F)(F)F)nc(N(C)C)n2)[C@@H](O)C1 1565513864 CFDIUIMWMSBBLZ-UWVGGRQHSA-N 377.367 0.582 0 50 GCAA O=C(CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)NC1CC1 1857726006 DXOUQLUWZYYGPF-CYBMUJFWSA-N 399.476 0.877 0 50 GCAA COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)[C@H]1CCn3nccc3C1)CC2 1857740118 IUWBQMUNLCQZEU-LBPRGKRZSA-N 386.408 0.184 0 50 GCAA NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1 1875267606 VLEFADVDLVQHHF-HUUCEWRRSA-N 394.497 0.779 0 50 GCAA CCCNC(=O)N1CCO[C@@H]2CC[C@H](C(=O)NCCCc3nn[nH]n3)C[C@H]21 2100483549 CYWJCEJBZVYVPV-BFHYXJOUSA-N 379.465 0.238 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCc2cc(C)[nH]n2)CC[C@@H]1NC(=O)c1cnn[nH]1 2100540078 CENUILCYXKZROS-NOLJZWGESA-N 389.460 0.846 0 50 GCAA Cc1[nH]nc(CCC(=O)N[C@H]2CC[C@H](C(=O)N3CCOCC3)C[C@@H]2O)c1C 2100545343 PTCGTMDGLMOVGG-XIRDDKMYSA-N 378.473 0.464 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCCC[C@@H]4C(=O)O)cc3C2=O)C(=O)N1 2325897428 WWCCOVYRUSSBEV-LSDHHAIUSA-N 399.403 0.527 0 50 GCAA O=C1CC[C@H](N2C(=O)c3ccc(C(=O)N[C@@H]4CC45CCC5)cc3C2=O)C(=O)N1 2325898252 YJTJGZUUOXYTPT-UONOGXRCSA-N 381.388 0.760 0 50 GCAA NCCCOCCCOc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325899223 VMSMHDWWGFBHNM-HNNXBMFYSA-N 389.408 0.222 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)NCc2cn(C)nc2C)CC[C@@H]1NS(C)(=O)=O 2356169476 RSZQKBFOYNHMBK-BPUTZDHNSA-N 386.518 0.858 0 50 GCAA CCn1nc(C)c(CNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)c1C 20919973 VUTYLQGGOKAJFM-QGZVFWFLSA-N 391.516 0.707 0 50 GCAA CN(c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1)S(C)(=O)=O 65362594 OGYCIVGAFOOXBC-LBPRGKRZSA-N 389.499 0.693 0 50 GCAA O=C(NCCc1cnccn1)c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1 95375241 OIGZWQSRMOCDHA-MRXNPFEDSA-N 390.465 0.595 0 50 GCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 95505527 USQIHMYOKYQKHK-FQEVSTJZSA-N 390.484 0.543 0 50 GCAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CCn2cnnn2)CC1 96180631 ZOEGMKQILTZZBZ-UHFFFAOYSA-N 384.448 0.326 0 50 GCAA CSCC[C@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 230215984 AYXIBYYGNZAFKV-GFCCVEGCSA-N 375.454 0.665 0 50 GCAA COc1ccccc1N1CC[C@H](NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)C1=O 273558135 XNKAZMGNCCXJBS-XHSDSOJGSA-N 390.484 0.897 0 50 GCAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCN2C(=O)OC[C@@H]2C1 366286953 CMNXKFRDFQYSHX-NSHDSACASA-N 385.467 0.809 0 50 GCAA CN1CCN([C@H]2CN(C(=O)c3cccc(-c4ccc(O)cn4)c3)C[C@@H]2O)CC1 534584177 KYYDTGNQPYXASI-PMACEKPBSA-N 382.464 0.887 0 50 GCAA COc1cccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)c1 892743691 PXBMALRPSWRUKL-RHSMWYFYSA-N 397.497 0.729 0 50 GCAA Cn1cc(C(=O)N2C[C@@H]3CN(C4CCCCC4)C[C@]3(C(=O)O)C2)c(O)nc1=O 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XWQBOACESYBMKT-LJQANCHMSA-N 376.457 0.164 0 50 GCAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cn(CCN2CCNCC2)nn1 77453828 OZOINTGHUQVWKC-SFHVURJKSA-N 397.527 0.782 0 50 GCAA O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)N1CC[C@@H](CO)[C@H](O)C1 170617013 LJRDIRRSGMDGBY-XJKSGUPXSA-N 383.470 0.582 0 50 GCAA CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@H]2[C@H]1O 256769854 NVGDLMUKSMHEQT-BKWHQTBESA-N 399.300 0.339 0 50 GCAA COC(=O)c1cn(CCc2ccc(S(N)(=O)=O)cc2)cc2c(=O)[nH]nc1-2 263588829 YYPBGGDKWJCVGA-UHFFFAOYSA-N 376.394 0.353 0 50 GCAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)C2)n1 275281916 KMZCARZQOVRAQO-QGZVFWFLSA-N 389.437 0.905 0 50 GCAA NS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 298859791 RKHIMPBBXCXSFO-CYBMUJFWSA-N 376.442 0.915 0 50 GCAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 328629126 OKYABBQWDJDDOQ-SMDDNHRTSA-N 378.410 0.759 0 50 GCAA CN(CCc1ncon1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 426518309 KVUMWHHXNPMRTD-HNNXBMFYSA-N 375.404 0.600 0 50 GCAA Cn1nc(-c2cccc(C(=O)N3CCN(CCOCCO)CC3)c2)ccc1=O 534656672 XLMNLPWERCTTBW-UHFFFAOYSA-N 386.452 0.214 0 50 GCAA COc1cc(C)nc(N2CCC(N3C(=O)N[C@@H]4CN(C(C)=O)CC[C@@H]43)CC2)n1 888103344 DOKPAASKMKDBHD-CVEARBPZSA-N 388.472 0.777 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCC(CO)CC2)cc1OC 1529145522 AYZPLACRKBMBHA-MSOLQXFVSA-N 378.425 0.491 0 50 GCAA CN(C)S(=O)(=O)N[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 1565507750 FGQGGIIMHYWDIH-KBPBESRZSA-N 375.878 0.240 0 50 GCAA CCc1nc(CN2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)cs1 1565528834 REIHBZCEIGERND-KGLIPLIRSA-N 379.511 0.983 0 50 GCAA O=C(CCN1CCCCCC1=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565529246 PMQCYBANFHDYRJ-HOTGVXAUSA-N 380.514 0.987 0 50 GCAA CN1C(=O)C(=C2NC(=O)C(c3ccccc3)(c3ccccc3)N2)C(=O)N(C)C1=O 1776111277 KWDCUUWRMUJTGV-UHFFFAOYSA-N 390.399 0.912 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)NCCc1cccc(C)c1)C2 1857528386 GANCJFIEEIJENX-OAHLLOKOSA-N 379.482 0.482 0 50 GCAA Cn1nccc1CN1CCC2(CC1)CC(=O)N(CC[C@H]1COCCO1)CCO2 1857682230 SLJQCRJFZURPOV-SFHVURJKSA-N 392.500 0.809 0 50 GCAA Cn1c(C(=O)N2CCOC[C@@H](CN3CCCCCC3)C2)cc(=O)n(C)c1=O 1857700541 DQVZBDOURRCWFH-HNNXBMFYSA-N 378.473 0.049 0 50 GCAA CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1857705527 LGHVMPRBHUUKSM-MJQMVNBJSA-N 387.484 0.706 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCNC(=O)C2)CC[C@@H]1NC(=O)c1cccnc1 1875247080 QKJKCQFXKCZOFO-XIRDDKMYSA-N 388.468 0.734 0 50 GCAA NC(=O)[C@]1(NC(=O)COCCNC(=O)c2ccccc2)CCOc2ccccc21 1875259280 FJPRVIMDECBYRQ-NRFANRHFSA-N 397.431 0.713 0 50 GCAA Cc1noc(C2CN(c3ncnc4c3ncn4C[C@H](CO)[C@H]3CCOC3)C2)n1 1875269333 XLIMEGJXOJKSEU-GXTWGEPZSA-N 385.428 0.767 0 50 GCAA CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1cnn(C)c1C(F)(F)F 1875269520 SNZPAKTUSUOJMW-UHFFFAOYSA-N 390.409 0.095 0 50 GCAA CCN1C(=O)C[C@H](C(=O)N2CCNS(=O)(=O)CC2)[C@@H]1c1cccc(C)c1 1875299745 URMHXQVVOFZIEI-RDJZCZTQSA-N 379.482 0.666 0 50 GCAA Cn1c(CNC(=O)[C@@]2(C)CCCCN2C(=O)c2ccccc2)cc(=O)n(C)c1=O 1875365210 IFLOZKJXHFAOTA-OAQYLSRUSA-N 398.463 0.785 0 50 GCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(OCC(=O)N2CCCCC2)cc1 1940197277 FDISIKWUBWEDJN-QFHJOOASSA-N 390.436 0.335 0 50 GCAA Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O 796260 SPMXGPZHMVGEIR-UHFFFAOYSA-N 388.859 0.545 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3)c2)CC1 65362096 FZZOPBKFRQBUNY-UHFFFAOYSA-N 394.541 0.838 0 50 GCAA COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)NCCN2C 67884339 CBEBBAPHPUEZPE-UHFFFAOYSA-N 381.454 0.058 0 50 GCAA CN(C)C(=O)CCc1cccc(NC(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)c1 95502411 ATVJVSHBMINOGT-QGZVFWFLSA-N 387.484 0.698 0 50 GCAA Cc1nn(C)c2ncc(C(=O)NCCN3CCN(c4ncccn4)CC3)cc12 132770857 YMJHJKCIPIFVGS-UHFFFAOYSA-N 380.456 0.619 0 50 GCAA COCCNC(=O)CN1C(=O)N[C@H](c2ccccc2OC)C2=C1COC2=O 169765358 PVTULKWFKVIIHW-MRXNPFEDSA-N 375.381 0.335 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)cc1 220553729 PDWOPLGMGSGCAF-MRXNPFEDSA-N 376.438 0.630 0 50 GCAA COC(=O)c1cc(Br)c(S(=O)(=O)N2CCNC(=O)C2)s1 225419028 BMAGYCNZSLIZCE-UHFFFAOYSA-N 383.245 0.418 0 50 GCAA Cc1cc(N2CCC[C@@H](NC(=O)c3cccnc3N3CCOCC3)C2=O)n(C)n1 266434493 SZQMNYCVQKKLMN-MRXNPFEDSA-N 398.467 0.886 0 50 GCAA O=C(N[C@H]1CCN(CC(F)F)C1)N1CCC(S(=O)(=O)N2CCCC2)CC1 333921000 QHRNPALTAVCUFH-ZDUSSCGKSA-N 394.488 0.925 0 50 GCAA COc1ccc(C(N)=O)cc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 409414940 ZNWZRFSANQXUHI-AWEZNQCLSA-N 382.376 0.873 0 50 GCAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCN(Cc2nc[nH]n2)CC1 426534519 VQVITQGPJLOFAN-UHFFFAOYSA-N 382.428 0.917 0 50 GCAA Cc1cc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c2ncccc2c1 534637356 IPWJGPUQIYPRIU-HOTGVXAUSA-N 377.466 0.921 0 50 GCAA COc1ccc(-c2n[nH]cc2CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529186239 WNKRMANDJLILIT-RDJZCZTQSA-N 394.497 0.769 0 50 GCAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(CO)C1 1772706455 CPKZRBPNEKRCKM-MGPUTAFESA-N 396.451 0.355 0 50 GCAA Cc1nc2cc(N3C[C@@H](C(=O)N[C@@H]4CCC(=O)NC4=O)CC3=O)ccc2s1 1857798169 SEGYIBNFIADCDG-CMPLNLGQSA-N 386.433 0.879 0 50 GCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(OCCN3CCOCC3)cc1)C2 1875245810 SGVVFZSVWRVZAI-MSOLQXFVSA-N 375.469 0.344 0 50 GCAA CN(C[C@H]1CCS(=O)(=O)C1)c1nnnn1Cc1cccc(C2OCCO2)c1 1875283339 ODDVGHRPSYUFRQ-CQSZACIVSA-N 393.469 0.638 0 50 GCAA CN(CC(=O)NC[C@]1(O)CCN(C(=O)c2cc3cnccc3[nH]2)C1)C1CCC1 1875332117 MCMPCQAEKZXEEI-HXUWFJFHSA-N 385.468 0.740 0 50 GCAA CN(Cc1nn(C)cc1Br)c1cc(N2C[C@H](O)C[C@@H]2CN)ncn1 1875397229 QXHCSKXUEWEZQS-GHMZBOCLSA-N 396.293 0.507 0 50 GCAA Cc1cc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)COc3cccc(F)c3)C2)n[nH]1 2100534358 DYGUCXRPJMDHQK-ZLIFDBKOSA-N 390.415 0.808 0 50 GCAA Cc1conc1C(=O)N1CCc2c(ncn2C)[C@]12CCN(C(=O)[C@@H]1CCOC1)C2 2325776876 IIZUPFIGWGAHET-JLTOFOAXSA-N 399.451 0.879 0 50 GCAA O=C(CCn1cncn1)N[C@@H]1CC2(CN(C(=O)C3CCCC3)C2)n2ccnc21 2332237550 AWJVTGLVZQGJPV-OAHLLOKOSA-N 383.456 0.854 0 50 GCAA Cc1c(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)sc2[nH]cnc(=O)c12 2356145397 ALIKSWGSNKRIMX-GTNSWQLSSA-N 393.465 0.800 0 50 GCAA C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21 7992852 MMPAUXMIDJWGFO-ROMFRFKVSA-N 383.836 0.836 0 50 GCAA in-vitro COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ncccc3O)CC2)C1 71752562 IHPYZTJLBQQNBI-OAHLLOKOSA-N 390.484 0.866 0 50 GCAA O=C(NCCSc1ccccc1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 91657110 OMICVZOUQWRJIC-HZPDHXFCSA-N 377.510 0.979 0 50 GCAA COCCCN1CC2(CCN(C(=O)CSc3nncn3C)CC2)CC1=O 95389388 JTJUACJWRZAAPC-UHFFFAOYSA-N 381.502 0.785 0 50 GCAA CN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)CC2 95503069 VNCZUJDGCMBCMO-AWEZNQCLSA-N 381.502 0.139 0 50 GCAA Cc1nc(S(=O)(=O)N2CCN(Cc3nc(-c4ccoc4)no3)CC2)cn1C 122672443 JQNPSCASPYBPSZ-UHFFFAOYSA-N 392.441 0.878 0 50 GCAA C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 363530769 QYXIALNVIGGFIS-AAEUAGOBSA-N 382.438 0.569 0 50 GCAA O=C1O[C@H](c2ccccc2)C[C@@H]1C(=O)N1CCn2c(nn(CC(F)F)c2=O)C1 377864933 PHDSMVCAGLSFHM-OLZOCXBDSA-N 392.362 0.957 0 50 GCAA CN1CCO[C@H]2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@H]21 408029907 DNBXOLRMHCROCQ-CVEARBPZSA-N 382.486 0.874 0 50 GCAA O=C(c1c[nH]nc1-n1cnnn1)N1CCN(c2nsc3ccccc23)CC1 1506408330 ROFNWANRVIDBEY-UHFFFAOYSA-N 381.425 0.958 0 50 GCAA COc1ccc(CCCC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1616108970 HVOSDRBILJTOAC-WBVHZDCISA-N 384.498 0.729 0 50 GCAA Nc1nc(N2CCCN(C(=O)c3cn4ccsc4n3)CC2)c2nc[nH]c2n1 1772815337 PSZFHWKDPQCJOS-UHFFFAOYSA-N 383.441 0.997 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875248777 NVPJFYQVMIJIRM-HOCLYGCPSA-N 392.481 0.832 0 50 GCAA Cc1cnc(N2CCOCC2)nc1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 1875293406 OTHDSASFNBTLLD-HNNXBMFYSA-N 377.489 0.539 0 50 GCAA CN1CCN(C(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3cc4ccccc4cn3)C2)CC1 1940197271 DWOTVXBADJLXNS-LNLFQRSKSA-N 382.464 0.878 0 50 GCAA O=C(CNS(=O)(=O)c1cccs1)N[C@H]1COC[C@H]1Cc1ccncc1 1940197305 GVPBDFSTWJEVSA-KGLIPLIRSA-N 381.479 0.795 0 50 GCAA CCOCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1753010 VKIBZCBPXBJZTB-UHFFFAOYSA-N 398.467 0.786 0 50 GCAA CCc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)c1 14749129 OWARSNXNDMMTBW-ULQDDVLXSA-N 387.484 0.967 0 50 GCAA COc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COC(C)C)CC2)cc1 20254721 QCJPQXFCSLYFFY-QZTJIDSGSA-N 382.501 0.838 0 50 GCAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 67934315 WXBFJLLUJGZVNS-UHFFFAOYSA-N 380.408 0.462 0 50 GCAA COCc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c2cnn(C)c2n1 72147379 MZAVGVTXNCNJQZ-UHFFFAOYSA-N 387.488 0.820 0 50 GCAA CC(C)CN1CCN(C(=O)c2sccc2S(N)(=O)=O)C[C@H]1CCO 72432378 QZGIFBKNCYBXJG-GFCCVEGCSA-N 375.516 0.560 0 50 GCAA Cc1cc(O)n2nc(CC(=O)N3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)nc2n1 91547860 PKYJBDXDEPBZDQ-BLVKFPJESA-N 389.456 0.707 0 50 GCAA CN(C)C(=O)N1CCCn2nc(CNC(=O)c3ccc4nnnn4c3)cc2C1 92078565 HNNCEYFDOYXBQU-UHFFFAOYSA-N 383.416 0.138 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(CCC(=O)Nc1cccnc1)C2 95364655 VUNIHTKMOUOEKO-GDBMZVCRSA-N 381.502 0.613 0 50 GCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(S(=O)(=O)CCOc1ccccc1)CC2 95390410 VGSFEGGNTUUZDY-OAHLLOKOSA-N 396.465 0.793 0 50 GCAA CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O 100657389 FVGOGEGGQLNZGH-LZWOXQAQSA-N 393.440 0.131 0 50 GCAA CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H]1CCCN1)n2C 178745226 QKUGHYNQADCMNK-ZDUSSCGKSA-N 393.513 0.624 0 50 GCAA CN(Cc1nc(CS(C)(=O)=O)no1)[C@H]1CCN(Cc2ccccc2)C1=O 191745986 QUMYODUFTLWBCW-AWEZNQCLSA-N 378.454 0.847 0 50 GCAA Cc1nc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)nn1-c1nnc[nH]1 264061502 WCKABIVDZJEJDU-MRXNPFEDSA-N 380.456 0.988 0 50 GCAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CN1CCOCC1=O)CC2 280565674 VIGRQNBCNLEPMO-AWEZNQCLSA-N 378.498 0.815 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1=O 328615145 XUQHXYQZOJVWIF-JSGCOSHPSA-N 394.457 0.052 0 50 GCAA Cc1cc(NC(=O)CN2CCOCC3(CCC3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 371850930 AANJPUPFLYTODX-OAHLLOKOSA-N 396.513 0.992 0 50 GCAA CS(=O)(=O)CC1(CC(=O)N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)CC1 372796989 MOSWUEUXZVJRCN-LBPRGKRZSA-N 396.469 0.840 0 50 GCAA O=C(N[C@@H]1C[C@H]1CO)c1sccc1S(=O)(=O)NC[C@H](O)c1ccccc1 888096827 NSCOKANPLLZEQK-MJBXVCDLSA-N 396.490 0.871 0 50 GCAA Cn1ncnc1CN1CC[C@@]2(CC(=O)NN2C(=O)c2cc3cc(F)ccc3[nH]2)C1 888103332 CQTHKBWPHDWZJV-LJQANCHMSA-N 397.414 0.957 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCC2CCOCC2)cc1OC 1529118858 PCVHQJMNFHCPND-MSOLQXFVSA-N 378.425 0.803 0 50 GCAA CCc1n[nH]cc1C(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887169 XAXYBABEMPZWGP-INIZCTEOSA-N 395.419 0.663 0 50 GCAA Cc1ccc(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cc1N1CCNC1=O 2356142046 AYXIMTOTHSRCKN-OXJNMPFZSA-N 386.452 0.628 0 50 GCAA COCCn1c(CN2CCc3[nH]ncc3C2)cnc1S(=O)(=O)CC1CC1 19794574 ZJFUGVWRARHIPJ-UHFFFAOYSA-N 379.486 0.995 0 50 GCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 20208248 SAKYYWBYZGPCND-IBGZPJMESA-N 387.528 0.962 0 50 GCAA O=C(CCn1cnc2ccccc21)N1CCN(S(=O)(=O)N2CCCC2)CC1 30204522 SOIDLQQYVUPVPZ-UHFFFAOYSA-N 391.497 0.911 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)C3CCNCC3)C2)nn(CCN(C)C)c1=O 67847515 PUGONMQVCILXHV-INIZCTEOSA-N 378.521 0.332 0 50 GCAA C[C@@H](CO)NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95530256 BBJHJDVOECUMGC-ZDUSSCGKSA-N 385.486 0.447 0 50 GCAA O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2-n2cccn2)CC1 129753503 NWPSBJMOFGUPRE-UHFFFAOYSA-N 391.497 0.567 0 50 GCAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1C(C)C 154093912 NXIMACNTAQDMSF-KRWDZBQOSA-N 391.516 0.646 0 50 GCAA O=C(N[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1O)c1cnccn1 212493111 WCWOYTKSEZDEKM-ZFWWWQNUSA-N 384.392 0.140 0 50 GCAA Cc1ocnc1CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 286610747 FTSGRZBMEBVCJZ-MWLCHTKSSA-N 384.380 0.947 0 50 GCAA CCCNc1nnc(S(=O)(=O)Cc2nnnn2CC2CCOCC2)s1 365606177 HDBKUPCAYCIPFT-UHFFFAOYSA-N 387.491 0.747 0 50 GCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO 368468231 ZRVLNYNZCAVYJV-GUDVDZBRSA-N 375.469 0.241 0 50 GCAA COCCn1cnnc1CCNC(=O)c1cccc(-c2ccc(=O)n(C)n2)c1 534587168 YUHVBTVYNJLGMO-UHFFFAOYSA-N 382.424 0.658 0 50 GCAA Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2n1 1704344979 RXOZFDUJYLUPDS-KBPBESRZSA-N 395.485 0.291 0 50 GCAA Cn1nccc1CCC(=O)N1C[C@@H]2CN(C(=O)c3cnsc3)C[C@@]2(CO)C1 1772709327 OHVOOICDTTYYKP-RDTXWAMCSA-N 389.481 0.402 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCC[C@H](c3cn(C)nn3)C2)ncn1 2325786034 ZAGQNVCDSOGWFI-ARFHVFGLSA-N 386.504 0.490 0 50 GCAA CC[C@@H](CNC(=O)c1cc2ccccc2c(O)n1)NC(=O)Cn1cnc(=N)[nH]1 2325876448 VXOIIURPEYNRKD-LBPRGKRZSA-N 383.412 0.269 0 50 GCAA Cn1nnnc1[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 2356158213 ZHXVKKQUTHVVBX-CQSZACIVSA-N 381.414 0.134 0 50 GCAA CSc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)cc1 14743134 XYVQGPJMJAIZSQ-DTCNJJKHSA-N 378.454 0.379 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cccc(F)c3F)nn2)CN1 67561869 UREHSSAXVWGLQO-RISCZKNCSA-N 378.383 0.478 0 50 GCAA CCN1CCN(CC(=O)N2CCOc3ccccc32)[C@H]2CS(=O)(=O)C[C@H]21 77453380 IPURDGIWTQOAKU-CVEARBPZSA-N 379.482 0.215 0 50 GCAA CCN1CCN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 77553941 AHGPHRWPXWBGER-CABCVRRESA-N 378.454 0.921 0 50 GCAA CN(C(=O)N1CCN(CCC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccccc1 91504690 BKJOJVVJZMNWKG-CABCVRRESA-N 381.454 0.501 0 50 GCAA NS(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2Cl)ccn1 170600196 JYYHGZHFLZSHGX-UHFFFAOYSA-N 382.829 0.542 0 50 GCAA C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[C@H](C)C1 170603639 NEXDVUOZUOTMDD-CHWSQXEVSA-N 376.500 0.166 0 50 GCAA CCOC(=O)c1cn(CCNC(=O)[C@@H]2COCCN2CC(F)(F)F)cn1 253417840 OFNDCGOQNKXOJP-LBPRGKRZSA-N 378.351 0.439 0 50 GCAA CCc1c(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cnn1-c1ccccn1 262555444 WEYNXVBSMMRICD-HNNXBMFYSA-N 382.468 0.866 0 50 GCAA CN=c1cc(-c2cccc(C(=O)NCCN3CCCC[C@H]3CO)c2)nc(N)[nH]1 534576693 JJESMHLMBRDWQJ-INIZCTEOSA-N 384.484 0.766 0 50 GCAA CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 1330384877 IUXGZELCBJVZQP-OAHLLOKOSA-N 397.472 0.857 0 50 GCAA Cc1nnc(SCC(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)o1 1565511865 UIHWNOWFFHAQGP-KBPBESRZSA-N 376.438 0.862 0 50 GCAA COc1cc(Cl)cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704335621 CFWSNJRGWDTVEO-SMDDNHRTSA-N 376.862 0.985 0 50 GCAA Cc1ccsc1C(=O)N1C[C@@H]2CN(C(=O)CN3CCOC3=O)C[C@]2(CO)C1 1772701110 JHLDPXMIIFMYJV-SCLBCKFNSA-N 393.465 0.402 0 50 GCAA CC[C@@H](CC(F)F)C(=O)NC[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1775997024 QSVHRCRVWWZRNY-NWDGAFQWSA-N 388.415 0.717 0 50 GCAA COCCC1(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H](O)C2)CC1 1775997649 OALHXKOUDDTSME-SIRPWMCASA-N 380.485 0.839 0 50 GCAA CN(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3C(=O)NCCc2cnn[nH]2)cn1 1857672567 FWJTVIANODHQCK-JLJPHGGASA-N 383.456 0.475 0 50 GCAA NC(=O)Cc1nc([C@H]2CCn3nccc3C2)n(-c2ccc3c(c2)OCCO3)n1 1857676480 UGGLLQCRFLLUGG-LBPRGKRZSA-N 380.408 0.993 0 50 GCAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2COC[C@]2(C(=O)NCc2nc[nH]n2)C1 1857681198 BXZOOYPCLPVOPC-PIGZYNQJSA-N 393.879 0.519 0 50 GCAA O=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857690156 CHUDESZPKVKRMC-KKUMJFAQSA-N 396.871 0.994 0 50 GCAA CCC[C@@]1(CO)CN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC[C@@H]1O 1857722025 CGKXVRRZZJEJOZ-WMZOPIPTSA-N 384.498 0.936 0 50 GCAA Cn1ccnc1[C@@H]1CN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C[C@H]1N 1875291175 QLUMJCGRHICCPX-KURKYZTESA-N 387.459 0.886 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2nn(C)c3c2COCC3)ncn1 1875398034 YJHFMHNXVHSPSV-ZIAGYGMSSA-N 387.488 0.078 0 50 GCAA CCC[C@@H](NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895803 KHMCZQDWOFAFIB-KGLIPLIRSA-N 387.392 0.431 0 50 GCAA OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@H](O)[C@H]1O 2126596 NLRXQZJJCPRATR-DGADGQDISA-N 385.210 0.781 0 50 GCAA biogenic C[C@H](O)[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C1=O 14732447 VBWGRKXZLZQXQD-GDIGMMSISA-N 393.443 0.886 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3nnc4nc(C)cc(C)n34)C2)nn(C)c1=O 67934252 LCRAJSHWLGFDFX-ZDUSSCGKSA-N 384.444 0.676 0 50 GCAA CN1C[C@@H](C(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)CC1=O 72171231 YBTZVTNAEKWJRN-AWEZNQCLSA-N 380.452 0.968 0 50 GCAA Cc1cc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CNC(=O)C3)ccc1F 77387537 MSJDRUSJSSAMOD-UHFFFAOYSA-N 383.445 0.541 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)COC[C@H]3CCCCO3)cc2C1 91737840 NOSRLMPCHPQOGB-MRXNPFEDSA-N 379.461 0.582 0 50 GCAA COc1ccc(C)cc1S(=O)(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91845549 AMRBEZDFZBTGES-SFHVURJKSA-N 381.498 0.979 0 50 GCAA COc1nc(C)nc(NC(=O)NS(=O)(=O)Nc2ccccc2[N+](=O)[O-])n1 96448551 NCBXWASDPDOBLW-UHFFFAOYSA-N 383.346 0.575 0 50 GCAA CN(C)CC(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 127585632 RIEAHYQLBMVDCR-UHFFFAOYSA-N 388.516 0.716 0 50 GCAA NC(=O)Cn1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1 173081814 RXCLXLBOLBTNAD-UHFFFAOYSA-N 383.334 0.140 0 50 GCAA Cn1cc(/C=C/C(=O)OCc2cccc(Br)n2)c(=O)n(C)c1=O 225858219 GBGZRUPBOSQEIA-VOTSOKGWSA-N 380.198 0.998 0 50 GCAA Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)on1 241657680 PYHWIRBKQWYUOS-IHRRRGAJSA-N 381.454 0.682 0 50 GCAA COc1ccc(C)cc1N1C[C@H](C(=O)N(CCN(C)C)CC(=O)O)CC1=O 299749619 LAUVTKXNMLOKLO-CQSZACIVSA-N 377.441 0.831 0 50 GCAA CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cncc(F)c2)cn1 481258234 NKQBVLARHHBKCS-AWEZNQCLSA-N 388.446 0.598 0 50 GCAA Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)c1 1565528980 KRMPYXGWBGZJSK-HIFRSBDPSA-N 375.454 0.627 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@H]2C2CC2)CC1 1875268144 QADWZECFMMDKPH-HOCLYGCPSA-N 388.443 0.878 0 50 GCAA NC(=O)CNC(=O)[C@H]1CC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H](O)C1 1940194876 YVVIEWKOBJNJIQ-JBCWJZNQSA-N 376.388 0.168 0 50 GCAA Cc1ncsc1C(=O)N[C@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)C[C@@H]1O 2100545613 YRJCTDSLFJNNIQ-UBHSHLNASA-N 377.470 0.793 0 50 GCAA Cc1ccccc1-n1cc(CN(C)C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)nn1 2325879251 OERPOJKPMYXHRU-CQSZACIVSA-N 392.485 0.450 0 50 GCAA CN(Cc1nc(-c2ccccc2)no1)C1=CC(=O)N([C@@H]2CCC(=O)NC2=O)C1=O 2325900022 IFNIOAQZFPUEQI-GFCCVEGCSA-N 395.375 0.226 0 50 GCAA O=C(c1ccc(-n2cnnn2)cc1)N1CCc2nc(C3CCOCC3)nn2CC1 2356138395 LMZATOBUOSDDQW-UHFFFAOYSA-N 394.439 0.846 0 50 GCAA O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N(CCO)CCO 5129204 OBHPEQBQMHTLPG-UHFFFAOYSA-N 383.495 0.769 0 50 GCAA Cn1nc(CO)c2c1CCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2 67713780 MGYJMYXWPQZHKD-QFIPXVFZSA-N 398.507 0.867 0 50 GCAA CC[C@@]1(O)CCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O 72406741 KLIHWCJJWBJTCI-QZTJIDSGSA-N 384.498 0.415 0 50 GCAA CCN1CCN(CCN2CC3(CCN(C4CCNCC4)CC3)OC2=O)CC1 72425166 GWVBUFVUPQSCLK-UHFFFAOYSA-N 379.549 0.663 0 50 GCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N)nc(C)c1CCC(=O)O)C2 95374032 APSWPWLVXVQDNG-QWHCGFSZSA-N 377.445 0.458 0 50 GCAA Nc1nc(CC(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(=O)[nH]1 95498984 LPGDGRLJGJCPGI-LBPRGKRZSA-N 387.415 0.702 0 50 GCAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)NCc3cnn(C)c3)c2)no1 216096449 XSQFRTSWIUKFRZ-UHFFFAOYSA-N 390.425 0.520 0 50 GCAA NS(=O)(=O)c1ccc(CCNCC(=O)NCCc2ccc(F)cc2)cc1 242875691 GIVAFPCNUJOTEF-UHFFFAOYSA-N 379.457 0.964 0 50 GCAA Cc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cnn1-c1ccc(=O)[nH]n1 299749192 JJXQJLQJHHKAHY-OAHLLOKOSA-N 379.376 0.916 0 50 GCAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1cc(N2CCOCC2)no1 1772806823 GEVIMGNMYGARAZ-BAUKFBFWSA-N 399.455 0.976 0 50 GCAA CN(C)C[C@@]12CN(Cc3nccs3)C[C@H]1CN(C(=O)CN1CCOCC1)C2 1772806920 MEOUCDYAGUXKTB-LPHOPBHVSA-N 393.557 0.297 0 50 GCAA O=C1COc2cc(C(=O)N3C[C@@H]4CN(Cc5cnc[nH]5)C[C@@]4(CO)C3)ccc2N1 1772815222 LKLPAFUNHZLLKJ-XOBRGWDASA-N 397.435 0.307 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2n2ccnc2-c2[nH]cnc2C)no1 1875244650 XTNWSXYSEDSVCP-CHWSQXEVSA-N 390.425 0.646 0 50 GCAA CN(CCc1cnn(C)c1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356150088 LEFKFWRZTOIRPG-MOPGFXCFSA-N 383.452 0.947 0 50 GCAA CN(C)CCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 13670298 LMFFJEOQYMYUMD-UHFFFAOYSA-N 378.292 0.893 0 50 GCAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]3C1=O 77343200 BSPILFCVUUQJCD-RCJHGTSTSA-N 396.509 0.462 0 50 GCAA Cn1cnc(S(=O)(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1 91707557 PEROSSKNPSXDJM-OAHLLOKOSA-N 396.513 0.992 0 50 GCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CC2 95355543 JLSUINYCTRPYTK-CQSZACIVSA-N 398.423 0.415 0 50 GCAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCN(C)C)c1)c1ncnn1C 95356991 WAXGQNRIXGPZIO-GFCCVEGCSA-N 380.474 0.146 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCNCC3)c2)cn1 95363042 QMMIRPKWYYBXNW-UHFFFAOYSA-N 377.470 0.380 0 50 GCAA 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 245326083 IXUGXRFAPZBLMB-DYXJXGRVSA-N 375.400 0.725 0 50 GCAA O=C1O[C@@H](c2ccccc2)C[C@H]1C(=O)N1CCn2c(nn(CC(F)F)c2=O)C1 377864934 PHDSMVCAGLSFHM-QWHCGFSZSA-N 392.362 0.957 0 50 GCAA O=S(=O)(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)N1CCCC1 670433909 ZKOXBDACGPYFNP-AVAKVYKDSA-N 376.526 0.484 0 50 GCAA O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCN(Cc3cccs3)CC2)C1 952969882 DEQWRHASVIFLFP-CQSZACIVSA-N 378.541 0.773 0 50 GCAA Cc1cc(C(=O)O)nc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)n1 1529178887 TXIFFKWWVSHFSH-UHFFFAOYSA-N 383.474 0.726 0 50 GCAA O=C(NCCCn1ccnn1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772813465 BRKVRBZDYORJKO-CYBMUJFWSA-N 376.486 0.883 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)NCCSc3n[nH]c(C)n3)CC2=O)s1 1857712568 QWXXTANTVUNHIW-SECBINFHSA-N 381.487 0.788 0 50 GCAA COCCn1nnc([C@@H]2CN(C(=O)c3ccccc3-c3nc[nH]n3)CCO2)n1 1857716553 DACBLCTXASPLJS-AWEZNQCLSA-N 384.400 0.318 0 50 GCAA O=C(c1nnn(-c2ccc(F)cc2)c1C1CC1)N1CCNS(=O)(=O)CC1 1875299383 JDZUOXDAUNAAJN-UHFFFAOYSA-N 379.417 0.659 0 50 GCAA CNC(=O)Cn1[nH]c(=NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1C 2325718684 BXXLXZCFOIYKSW-UHFFFAOYSA-N 395.423 0.608 0 50 GCAA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cnc2c(=O)[nH]ccc2c1 2325875039 DXDPHVPVALRDFK-SMDDNHRTSA-N 378.454 0.713 0 50 GCAA CS(=O)(=O)NC(=O)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CCO1 2325899598 NESBXOSECIYAHI-LBPRGKRZSA-N 393.400 0.531 0 50 GCAA O=C1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)CCN1 72156046 WWCLOTROIBFTCL-AWEZNQCLSA-N 380.395 0.004 0 50 GCAA CS(=O)(=O)c1cnc(N2CCc3nc(N)sc3C2)nc1[C@H]1CCCNC1 72463825 VWGYQPNBHWTVBP-JTQLQIEISA-N 394.526 0.949 0 50 GCAA CCc1n[nH]c(SCC(=O)N2C[C@@H]3CCN(Cc4nccn4C)[C@@H]3C2)n1 82127773 LDFFADRZYHMNBC-QWHCGFSZSA-N 375.502 0.926 0 50 GCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cn(CCO)nc1C)CC2 95376074 IRPVVCUYWBNGRG-UHFFFAOYSA-N 399.499 0.810 0 50 GCAA Cc1cccc(-c2n[nH]cc2C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)c1 97784726 RIDSDSUSABHGCZ-AWEZNQCLSA-N 378.454 0.775 0 50 GCAA CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)ccc21 364111083 SXKDPINYFYGRHL-HNNXBMFYSA-N 396.378 0.994 0 50 GCAA COc1ccc(CN2CCC3(CC2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cn1 824748054 VYFIUYBOAZLSIK-MRXNPFEDSA-N 388.468 0.562 0 50 GCAA CN(C)C(=O)N1CCN(CCOc2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073342486 CBJGKUHLLYUPQY-CVEARBPZSA-N 385.461 0.669 0 50 GCAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cn2nc(C)cc2N)cc1OC 1529098913 PJBWVONTBCFVQL-VQIMIIECSA-N 390.440 0.752 0 50 GCAA Cc1nnc2n1C[C@H](CNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C2 1772712108 HURKZWDUIYNREA-LBPRGKRZSA-N 381.433 0.480 0 50 GCAA Cc1c(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)[nH]c2c1C(=O)CCC2 1857738201 WMTMDKXBUGRNNC-SMDDNHRTSA-N 383.470 0.166 0 50 GCAA COc1cccc(C(=O)N2CCC(C(=O)N[C@H]3CO[C@@H]4[C@H](O)CO[C@H]34)CC2)c1 1875243329 BLAIGLHBNGGSPG-BSDSXHPESA-N 390.436 0.191 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@@H]1O)c1cnc(C2CC2)nc1 1875248746 KZQOKALDSWVHKQ-XIRDDKMYSA-N 398.467 0.626 0 50 GCAA O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 2325861716 YSUMROGMBMJUIY-OJNYZHBWSA-N 382.363 0.541 0 50 GCAA C[C@]1(C(F)F)C[C@H]1C(=O)N1CCN(C(=O)c2nc[nH]c3ncnc2-3)[C@@H](CO)C1 2325879421 UWWCWHZDANJFGI-KEYDSSBGSA-N 394.382 0.241 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NC4(C(=O)O)CCCC4)cccc3C2=O)C(=O)N1 2325897338 UVGLWUBMGBGFPZ-CQSZACIVSA-N 399.403 0.575 0 50 GCAA Cc1cc(OC[C@H](O)CN(C)C[C@H](O)CNS(=O)(=O)O)ccc1Cl 23549993 XRTCMYWITPFGHC-VXGBXAGGSA-N 382.866 0.073 0 50 GCAA COc1nc2c(cc1CNC(=O)C[C@H]1CNCCO1)C(=O)N(C1CCCC1)C2 71763851 LOWWOQZBFFAHBL-HNNXBMFYSA-N 388.468 0.983 0 50 GCAA CN1C[C@@H](CN(C)S(=O)(=O)c2cccc(C(=O)NCC3CC3)c2)CC1=O 95371874 FWDHNIGASVPMTA-AWEZNQCLSA-N 379.482 0.925 0 50 GCAA CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3nnc(-c4ccco4)o3)C[C@@H]2C1 95390080 ZKLOHMDMVNFRLN-MLGOLLRUSA-N 382.442 0.548 0 50 GCAA COc1ccc([C@@H]2CN(C(=O)Cn3nnnc3N)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95499574 VOMAIVVDFLBUAP-CGTJXYLNSA-N 383.456 0.353 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)CCCn3ccnc3)C[C@H]2CCC(=O)O)CC1 95520506 FCBVAJQPJIEONI-MSOLQXFVSA-N 391.516 0.993 0 50 GCAA Cc1nn(C)cc1NC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 97604251 ILVVMCJLVNRMFD-UHFFFAOYSA-N 384.506 0.999 0 50 GCAA COC(=O)c1cn(-c2cccc(N3CCCS3(=O)=O)c2)cc2c(=O)[nH]nc1-2 253404629 HXISLCZYDUBYNI-UHFFFAOYSA-N 388.405 0.992 0 50 GCAA CN1CCOC[C@@H](CNC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 299785128 JUUIZKANKOWJJP-JTQLQIEISA-N 376.866 0.687 0 50 GCAA COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1Cl 299802538 YVGMTGBIYZQVHG-ZIAGYGMSSA-N 377.894 0.680 0 50 GCAA O=C(NCCSc1cnn[nH]1)N1CCN(Cc2ccco2)[C@@H](CCO)C1 426379708 LJMIEDVSTRVVHO-ZDUSSCGKSA-N 380.474 0.768 0 50 GCAA CN(C)c1cc(-c2cccc(C(=O)NCCCN3CCNC(=O)C3)c2)ncn1 426527123 XYULQMXHSWGHEL-UHFFFAOYSA-N 382.468 0.761 0 50 GCAA Cc1cccc(-c2noc(CNC(=O)N(C)[C@H]3CS(=O)(=O)C[C@@H]3O)n2)c1 1565506977 AJYBEBKIMAOCRM-STQMWFEESA-N 380.426 0.344 0 50 GCAA CN(C)c1nsc(-c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)n1 1565508961 NAEDFMXDNFIXMJ-RYUDHWBXSA-N 382.467 0.159 0 50 GCAA Cc1nc(CC(=O)N[C@H]2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)cs1 1857683655 YUUZSFFTLWKXAG-OLZOCXBDSA-N 377.474 0.472 0 50 GCAA COc1ccc(CCC(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1OC 1857726906 HVRPQLGLORIEQA-DAYGRLMNSA-N 396.509 0.822 0 50 GCAA Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857733547 NXKFLICGSATLFL-GUTXKFCHSA-N 376.475 0.482 0 50 GCAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)c2ccnn2C)s1 1875346479 FHYDCUUJKHMYMY-AWEZNQCLSA-N 385.515 0.828 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3ccoc3Br)C2)cc[nH]1 1875401657 NZQWOMNLSHNQMX-MNOVXSKESA-N 396.245 0.929 0 50 GCAA COCc1cc(O)nc(N2CC[C@@H](NC(=O)c3ccc4c(c3)NC(=O)NC4)C2)n1 2325864043 FEGHEIAYUDXNID-CYBMUJFWSA-N 398.423 0.972 0 50 GCAA Cc1sccc1C(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 2332237691 HVXLHYASNNNFKP-ZIAGYGMSSA-N 399.476 0.944 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCc2ccncc2)C[C@H]1NC(=O)c1cncnc1O 2356163355 YZYHLGZVXPIFHM-NUEKZKHPSA-N 385.424 0.807 0 50 GCAA COC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1C 1446085 NFMVDNLNMGQKIE-UHFFFAOYSA-N 388.432 0.374 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 4680115 DVCSXDVBVWNFOR-INIZCTEOSA-N 391.424 0.937 0 50 GCAA O=C1CN(Cc2cn(C3CCN(C(=O)Cc4ccsc4)CC3)nn2)CCN1 23379851 JSNSOQDTAHXZAW-UHFFFAOYSA-N 388.497 0.678 0 50 GCAA CS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H]3COCCN3)CC2)c(F)c1 72170357 FVJNAFSRFXXSSA-ZDUSSCGKSA-N 385.461 0.256 0 50 GCAA O=C(NCc1c[nH]nc1-c1ccccc1)c1cn(CCN2CCNCC2)nn1 77322790 ZDYGWYKQGOVYFE-UHFFFAOYSA-N 380.456 0.503 0 50 GCAA CN1CC2(CCN(C(=O)c3cn(CC[C@H]4CCCCN4)nn3)CC2)OC1=O 77540027 KXVYBQZBXPZAMZ-CQSZACIVSA-N 376.461 0.867 0 50 GCAA CC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O 95376333 KAHVWALCWPZPHD-UHFFFAOYSA-N 376.457 0.113 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(Cl)c[nH]c1=O)C2 95390881 CYHHTUBCTYMNNP-CMPLNLGQSA-N 380.832 0.180 0 50 GCAA Cc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c2c(C)noc2n1 218965850 KYZNGZXLODXLGB-GJQVQUKXSA-N 380.426 0.275 0 50 GCAA Cc1nnc([C@@H]2COCCN2S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)o1 333353217 RZINUXGSDHKLQO-AWEZNQCLSA-N 384.458 0.482 0 50 GCAA C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)C1 492590112 LJMHXZQRFADDRI-SWLSCSKDSA-N 393.465 0.642 0 50 GCAA Cn1c(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)cc(=O)n(C)c1=O 670441729 FQUIFLBZZSYVNW-UHFFFAOYSA-N 375.816 0.976 0 50 GCAA CN(CCC(=O)NCc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 828026925 IYGPUWZNNGLSAO-MRXNPFEDSA-N 376.482 0.998 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)nc(-c2ccccc2O)n1 952872606 RXHWEUYRNYTRJN-AWEZNQCLSA-N 381.436 0.942 0 50 GCAA Cc1cc(C(=O)N2CCCN(CC(=O)NC[C@@H]3CCCO3)CC2)nc(C)n1 1772704718 GYGXVVDVPZCCIT-INIZCTEOSA-N 375.473 0.537 0 50 GCAA O=C(Cc1ccsc1)N1C[C@@H]2CN(C(=O)c3ncccc3O)C[C@]2(CO)C1 1772704891 UHWYUOOAGPGMQX-KUHUBIRLSA-N 387.461 0.984 0 50 GCAA CC(=O)N1CCOc2ccc(S(=O)(=O)N3C[C@H]4COC[C@H](CN4C)C3)cc21 1875241420 WHHKRRFDRCEECF-CABCVRRESA-N 395.481 0.383 0 50 GCAA CCN1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cn(C)c(O)n4)C[C@@H]32)CCC1=O 1875330791 BYAJZYSHQRPQKG-IPYPFGDCSA-N 389.456 0.057 0 50 GCAA CC[C@@H]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN4CCCS4(=O)=O)C3)C2)O1 2325793589 ACIGPYBCRJENKF-ZIFCJYIRSA-N 399.557 0.904 0 50 GCAA CCN1C(=O)[C@H](CC(N)=O)N(NC(=O)c2cc(OC)cc(OC)c2)C1=S 1432286 KBQRQDKSCXSEJP-LBPRGKRZSA-N 380.426 0.042 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cccc4cccnc34)CCN2C1=O 14745469 LKSRQMMBNBFVQB-ZWKOTPCHSA-N 381.480 0.875 0 50 GCAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)CC2)cc1Cl 20661293 FOEHBRPIMTYDAV-LLVKDONJSA-N 375.878 0.789 0 50 GCAA O=C(CCn1cnnn1)NCc1cccnc1N1CCN(c2ccccn2)CC1 67726720 MPBLTQIVMIFPIV-UHFFFAOYSA-N 393.455 0.496 0 50 GCAA CCc1ocnc1C(=O)N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72454781 UDRJXZSEXYTFAV-OLZOCXBDSA-N 381.454 0.487 0 50 GCAA COCc1nc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)no1 95387742 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CN(C)CC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)CC3CCCC3)[C@H]3CC[C@]2(C1)O3 1704332481 XNCIEHKYFHNXDF-DODZYUBVSA-N 399.557 0.664 0 50 GCAA CNC(=O)c1cccc(CCNC(=O)N2C[C@H]3[C@@H](OC)CS(=O)(=O)[C@H]3C2)c1 1857533159 CBIXMADORIKTOD-JYJNAYRXSA-N 395.481 0.042 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857705945 BVRSDHMBCNTUPS-SFHVURJKSA-N 394.497 0.935 0 50 GCAA Cc1nc(C(=O)N2CCN(C3CCOCC3)CC2)nc(N2CC[C@@H](N)C2)c1C 1875400888 BYJMTPVZNQMLNO-MRXNPFEDSA-N 388.516 0.568 0 50 GCAA CC1(C)C(=O)Nc2ccc(C(=O)NC[C@H]3C[C@@H](O)CN3c3cc(N)ncn3)cc21 2325786151 HQFOXXGJNYRTMY-CHWSQXEVSA-N 396.451 0.658 0 50 GCAA CC(=O)c1cccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 4821350 LMDWUOYZUVUSQD-UHFFFAOYSA-N 381.454 0.379 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2cccn2)cc1 15064330 WTENCQZYSNVMED-SFHVURJKSA-N 385.468 0.789 0 50 GCAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(CCN2CCOCC2)nn1 19774459 PJAXZSVNQYZRPN-UHFFFAOYSA-N 398.467 0.667 0 50 GCAA Cc1noc(C)c1C(=O)N[C@H]1CN[C@H](C(=O)NCc2cn3ccsc3n2)C1 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CO[C@@]12CC[C@@H](NC(=O)c3ccncc3)C[C@@H]1N(C(=O)c1c[nH]c(=O)cn1)CC2 534631083 FOWMRPXDUJJIDJ-PTSWNOGYSA-N 397.435 0.747 0 50 GCAA Cc1ccc(=O)n(CC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n1 670445499 JPZICFBWTPBCTL-PDRFFQIWSA-N 393.491 0.236 0 50 GCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 670472826 FBSYSGGJZRSVHG-ZIAGYGMSSA-N 383.470 0.195 0 50 GCAA O=C(Cn1cnnn1)NCC1CCN(Cc2cnc(N3CCCC3)s2)CC1 827864326 HQYZZROZVAGZMG-UHFFFAOYSA-N 390.517 0.758 0 50 GCAA CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1cnn(-c2ccccc2)n1 860854525 BULTZQLJIPZDSU-ZDUSSCGKSA-N 380.430 0.049 0 50 GCAA C[C@H]1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)[C@@H](C)CN1CCO 888097202 DQTYLVUGXXGVCZ-GJZGRUSLSA-N 390.488 0.259 0 50 GCAA Cc1cc(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)nc(-c2ccccc2O)n1 1616071287 UYCLIGCCNZQODD-CJNGLKHVSA-N 392.481 0.846 0 50 GCAA CN(C)C[C@@]12CN(C(=O)Cc3ccccn3)C[C@@H]1CN(C(=O)c1ccnn1C)C2 1772702926 BFFZOOCBTXTQQP-IERDGZPVSA-N 396.495 0.520 0 50 GCAA O=C(Cc1cccc(F)c1)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnsc1 1772811371 TZDLJDFJBGERPC-ZIAGYGMSSA-N 397.453 0.537 0 50 GCAA CCCOCC(=O)NC[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCO1 1775991281 JEFSJKWETJGUSQ-FRQCXROJSA-N 378.473 0.684 0 50 GCAA CCCCC(=O)N1CCN(C(=O)Cc2ccc(C)nc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1775997119 WEEVYMQBFNQQSM-DLBZAZTESA-N 393.509 0.959 0 50 GCAA CC(=O)N[C@H](C(=O)N1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 1875300692 NUVLRAQMTGHCCT-OALUTQOASA-N 375.469 0.814 0 50 GCAA Cn1cc([C@@H]2C[C@@H](N=c3ncnc(N4CCC5(CCNC5)CC4)[nH]3)CCO2)cn1 1875406145 YARFZVLCYDOVQC-IRXDYDNUSA-N 398.515 0.939 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCC[C@@H](c3cn(C)nn3)C2)ncn1 2325786035 ZAGQNVCDSOGWFI-BZUAXINKSA-N 386.504 0.490 0 50 GCAA NC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67975260 JHXPDQRKLNKIJT-OAHLLOKOSA-N 384.440 0.810 0 50 GCAA CN(CCO)C[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1CO 91381575 WZTKKBGVKHMZHX-HUUCEWRRSA-N 398.887 0.645 0 50 GCAA Cc1cc(C(=O)O)nc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)n1 91872733 QIALJHOJKKBAOA-HIFRSBDPSA-N 378.429 0.875 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC(C)=NO1)CC2 95503757 UECAFCRZMSDYCP-AWEZNQCLSA-N 375.429 0.423 0 50 GCAA O=C(CCc1cccnc1)N1CCN(C(=O)C2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 212820831 MFQOFOSWCJMKCF-SJORKVTESA-N 391.493 0.651 0 50 GCAA CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccc(C(=O)NCCF)c2)C1 215106156 YDSLBHBZPGIWKY-AWEZNQCLSA-N 385.461 0.923 0 50 GCAA Cn1c(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)nc2cc(C(F)(F)F)ccc21 215249145 AAOSHHPFOXAANH-UHFFFAOYSA-N 381.314 0.828 0 50 GCAA CS[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@H]1N(C)C 252517565 LPGTXXJKVXRSNJ-VXGBXAGGSA-N 378.541 0.756 0 50 GCAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3ncn(C)c3=O)cc2)CC1 271472571 ZLUIAILNRLKWNS-UHFFFAOYSA-N 393.469 0.641 0 50 GCAA NC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2O)CC1 826075273 SEGYZZOUMJMSGX-UHFFFAOYSA-N 379.367 0.489 0 50 GCAA COCCOC[C@@H](O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 952892159 KVQDCNKWSXSVOE-KRWDZBQOSA-N 380.489 0.517 0 50 GCAA O=C1CC[C@@H](C(=O)N2CCOC3(CCN(c4ncc(Cl)cn4)CC3)C2)CN1 952985331 AQQZUHGWVYLDHS-CYBMUJFWSA-N 393.875 0.854 0 50 GCAA CN(Cc1cnn(C)c1)C[C@H]1[C@H]2CN(C(=O)c3cnccn3)C[C@]23CC[C@H]1O3 1704307330 WPARFJOHFPUTQQ-IXIUHKBRSA-N 382.468 0.962 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)c2ccc(-n3cnnn3)cc2)CC[C@H]1O 1857712121 LJBFYONHCATWQK-AEFFLSMTSA-N 375.429 0.274 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@H]1NC(=O)c1n[nH]c(CC)c1C 2100483319 ZTJYWFWYOHOCRI-NWANDNLSSA-N 393.488 0.576 0 50 GCAA CN1CCN(c2ncc(CN3CCN(c4ncncc4Cl)CC3)cn2)CC1 2325760847 DKGWNWNUJPUYTF-UHFFFAOYSA-N 388.907 0.994 0 50 GCAA Cc1c[nH]ccc1=NCCNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356157928 SIBWJOQSKGOWHE-UXHICEINSA-N 395.463 0.866 0 50 GCAA COc1cc(CNCCn2ccnc2)ccc1OC[C@@H](O)CN1CCOCC1 19227281 KMQOTGZYRAIROF-SFHVURJKSA-N 390.484 0.753 0 50 GCAA CCn1cnnc1CN(C)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 72129416 DNWQYNCIFLRLQQ-SFHVURJKSA-N 396.495 0.614 0 50 GCAA COc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c(OC)c1 91986085 VIIDQOTXUBXPEK-IAGOWNOFSA-N 378.469 0.645 0 50 GCAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@H]2C=CS(=O)(=O)C2)CC1 95516419 YOXQXCPJOOAWJI-AWEZNQCLSA-N 382.490 0.112 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(NC)nc2)CN1C1CCOCC1 95517330 UHKMSFVDNRYVEX-HIFRSBDPSA-N 376.461 0.006 0 50 GCAA O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95517570 BRJXNRBCDTWOPL-CYBMUJFWSA-N 379.380 0.587 0 50 GCAA C[C@H](CNC(=O)Cn1nnnc1CN1CCc2ccccc2C1)n1ccnc1 95529502 GPNXZTCKUILEMA-OAHLLOKOSA-N 380.456 0.805 0 50 GCAA O=C(NC[C@@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 265756738 YSWVTAUPFUTVDS-HNNXBMFYSA-N 376.461 0.324 0 50 GCAA C[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266688734 UVBITYCDOYYHGI-RYECPLHJSA-N 395.419 0.434 0 50 GCAA CN(C)c1nc(O)cc(CN(C)[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 276557324 SJPFVHZUZAZEJX-CYBMUJFWSA-N 385.472 0.807 0 50 GCAA CNc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 332466802 RAVXIIBRWOIRIE-CABCVRRESA-N 387.889 0.297 0 50 GCAA C[C@H](C(N)=O)n1cc(-c2cccc(C(=O)N3CCS(=O)(=O)CC3)c2)cn1 534585556 UQPZMFHFCYTCKD-GFCCVEGCSA-N 376.438 0.467 0 50 GCAA Cn1nncc1S(=O)(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952892652 FVFYEOKCRZETJG-GFCCVEGCSA-N 392.363 0.970 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)C[C@H]1O 1529101350 FMUVSECFIBHCRY-DLBZAZTESA-N 376.482 0.828 0 50 GCAA Cc1ccccc1CSCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565508232 IBCRWYRJYMGDEK-IRXDYDNUSA-N 379.526 0.868 0 50 GCAA CCCCS(=O)(=O)N1CCC2(CC1)C[C@](C)(NC(=O)COC)[C@@H](O)CO2 1772708343 HHUOWSZNSQTPBS-HOCLYGCPSA-N 392.518 0.253 0 50 GCAA O=C(N[C@]12CCC[C@H]1N(C(=O)[C@H]1CCn3cncc3C1)CC2)[C@@H]1[C@H]2COC[C@H]21 1775991703 MHZUAJXDFLRIEW-NRJDFDKSSA-N 384.480 0.978 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3cnc(C)cn3)CC2=O)s1 1857739117 JTHSKAYVKKDKPR-NSHDSACASA-N 376.442 0.842 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCc3n[nH]cc3C2)CC[C@H]1O)c1cscn1 1875246050 GSZHGIUNVJVSSC-PSOPSSQASA-N 375.454 0.711 0 50 GCAA CO[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1 1875259609 IXOWROONHICDPC-NEPJUHHUSA-N 390.845 0.602 0 50 GCAA COc1ccc2sc(NC(=O)COC(=O)CN3C(=O)CCC3=O)nc2c1 5010234 JGHYIRBDUPFDNR-UHFFFAOYSA-N 377.378 0.936 0 50 GCAA O=C(Nc1ccccc1C(F)(F)F)N[C@H]1C[C@H]2C(=O)N[C@@H](CO)C(=O)N2C1 14732993 QJFOLKAMQHPYPY-UWJYBYFXSA-N 386.330 0.287 0 50 GCAA O=C(NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 19848756 OTWFBZLGMQESOB-UHFFFAOYSA-N 397.497 0.160 0 50 GCAA CNS(=O)(=O)CCNC(=O)CCCc1nc(-c2cccc(OC)c2)no1 55225276 BJJDWGYGPWMEMH-UHFFFAOYSA-N 382.442 0.733 0 50 GCAA COc1cc(NC(=O)CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1Cl 65372937 SLHRBCMPLJCYFM-HOTGVXAUSA-N 382.892 0.580 0 50 GCAA Cc1cncc(C(=O)N2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72420122 QABCDTMAOKHMCA-SJORKVTESA-N 389.481 0.545 0 50 GCAA CC[C@H](NC(=O)Cn1nc(C)n(CCc2ccccc2)c1=O)c1ncnn1C 77393932 HRUQSMHKBVNRDB-INIZCTEOSA-N 383.456 0.992 0 50 GCAA O=C1CN(CC(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)CCN1 95386205 RRNSMHUBFDGAGO-QFBILLFUSA-N 382.508 0.508 0 50 GCAA CCc1nc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)no1 214960560 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CCN1CCN(CCN2CC3(CCN(C[C@@H]4CCCNC4)CC3)OC2=O)CC1 72438033 FQSWJYJMLVYGSQ-LJQANCHMSA-N 393.576 0.910 0 50 GCAA COCc1nn(CC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c(=O)n1-c1ccccc1 77420163 KDWWRBDCLAAPQH-ZDUSSCGKSA-N 384.440 0.959 0 50 GCAA CNc1nc(C)c(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 77505781 MOAHVEGMOJIDJP-OLZOCXBDSA-N 384.527 0.827 0 50 GCAA Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@H]2[C@H]([C@H](C)O)C(=O)N12 113848118 JQBKWZPHJOEQAO-FCLUJVBKSA-N 397.405 0.887 0 50 GCAA CCc1ccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772591 XTBPVHGFYVEPIX-UHFFFAOYSA-N 379.438 0.687 0 50 GCAA CC[C@]1(O)CCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1O 219276227 KLIHWCJJWBJTCI-ROUUACIJSA-N 384.498 0.415 0 50 GCAA Cn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)N2CCc3ccccc3C2)cn1 279148366 AEMKRCHPUSZXEC-GOSISDBHSA-N 388.493 0.777 0 50 GCAA C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(OCC2CC2)nc1 283056282 DPZUUILGHLLKLV-XJKSGUPXSA-N 377.441 0.485 0 50 GCAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cnc2nc(O)nc(O)c2c1 328634531 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GCAA COc1cccc(CN2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2=O)c1 77541623 RCNRASIDFAVZBR-MRXNPFEDSA-N 375.469 0.834 0 50 GCAA COc1cc2c(cc1NC(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1)OCO2 95500568 QFNAIYNNUDRDNK-JTQLQIEISA-N 387.414 0.206 0 50 GCAA O=C(Cn1ccccc1=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95505095 NTUYKBVBAKPOIL-UHFFFAOYSA-N 395.463 0.884 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCCC1)CC2 95518402 SFPDSFGETMWGQP-UHFFFAOYSA-N 389.500 0.744 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)CN1C(=O)CSC 96137951 PGDRFJCWUGKEDA-MFKMUULPSA-N 379.486 0.097 0 50 GCAA COC(=O)C1=C(O)[C@H](C(=O)OC)[C@@H]2C[C@H]1[C@@H](C(=O)OC)C(O)=C2C(=O)OC 100282108 POUJXYTVMNZVIK-PRKAOEEVSA-N 384.337 0.185 0 50 GCAA CCc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@H](N)C3)c2)no1 215704741 TXHBOSXRRWVYHB-LBPRGKRZSA-N 379.442 0.284 0 50 GCAA CCOCCNS(=O)(=O)c1cccc(C(=O)N2CCC(=O)N(C)CC2)c1 215986096 NFCXFRMEVXMZKI-UHFFFAOYSA-N 383.470 0.306 0 50 GCAA CN(C)CC(=O)N1CCN(C/C=C/c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247976395 IQSFCEQXOWLNHN-ZGQVYYGYSA-N 395.500 0.710 0 50 GCAA CN1CCN(c2cc(N3CCC[C@@H](CNC(=O)c4ccco4)C3)ncn2)CC1=O 375690574 HRBMYMYNYALDOB-HNNXBMFYSA-N 398.467 0.994 0 50 GCAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccnn1CCO 426548481 ILDHJNCXYXAOSL-IPFXWSOASA-N 381.480 0.173 0 50 GCAA CCN(CCNC(=O)N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1)c1cccc(C)c1 426571397 FKGUXFASXNLMAS-PMACEKPBSA-N 389.544 0.823 0 50 GCAA CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H]1CC(=O)N(c3cccc(O)c3)C1)C2 426597324 ZSNBAEVOSFAUTP-AWEZNQCLSA-N 397.435 0.620 0 50 GCAA CC(=O)NCCNC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 790653329 PZRSVWLFBBSKEA-LJQANCHMSA-N 387.440 0.847 0 50 GCAA CC(C)(C)NC(=O)CN1CCN(S(=O)(=O)CCOc2ccccc2)CC1 952963995 LXKRUPAZCDBMOD-UHFFFAOYSA-N 383.514 0.928 0 50 GCAA CSCC(=O)N[C@]1(C)CCOC2(CCN(CCN3CCCC3=O)CC2)[C@H]1O 1772711660 BYVQJVWWNTUINO-ZWKOTPCHSA-N 399.557 0.463 0 50 GCAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1162683 NJUOTSIFJQWMSB-UHFFFAOYSA-N 397.478 0.902 0 50 GCAA COCCCn1c(CN(C)CCCN2CCOCC2)cnc1S(C)(=O)=O 12445538 SCKNYEUHRCPSLL-UHFFFAOYSA-N 388.534 0.477 0 50 GCAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccccc2F)n(C)c1=O 13483888 CAGFNTGRVNDXKC-UHFFFAOYSA-N 387.415 0.453 0 50 GCAA CCc1cc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)on1 20540107 DDVMKLDVQWFIAA-HNNXBMFYSA-N 378.473 0.814 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)c3cccc(F)c3F)nn2)CN1 67895998 UREHSSAXVWGLQO-FZMZJTMJSA-N 378.383 0.478 0 50 GCAA O=C(C[C@@H]1COCCN1C(=O)CCS(=O)(=O)c1ccccc1)NCCF 72424842 CKBPSJCWQLNXHY-CQSZACIVSA-N 386.445 0.554 0 50 GCAA O=C([C@H]1CCOC1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77353478 KZSNKHVODHBLMI-HNNXBMFYSA-N 380.466 0.629 0 50 GCAA O=C(Cn1ncc2ccccc2c1=O)NCCc1nc2ccccc2c(=O)[nH]1 91433737 QMLOOUMAWGRCMW-UHFFFAOYSA-N 375.388 0.992 0 50 GCAA CCCCN1C[C@]2(CCCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C2)CCC1=O 91587157 IFKUTWHHBGXXQB-IBGZPJMESA-N 376.457 0.637 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccs2)CN1Cc1nccn1C 95368069 XLLSGWCEMSALEE-HIFRSBDPSA-N 375.498 0.920 0 50 GCAA Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)c1 95527227 KRMPYXGWBGZJSK-DZGCQCFKSA-N 375.454 0.627 0 50 GCAA Cc1c(C(=O)N2CC[C@H](CN)C2)cc(Br)cc1S(N)(=O)=O 178554730 HTXFROURLXWZGC-SECBINFHSA-N 376.276 0.826 0 50 GCAA O=C(O)C[C@H]1CSCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 262555473 WFRMIRFTBODMBM-NSHDSACASA-N 377.422 0.499 0 50 GCAA COc1ccnc(N2CCN(C(=O)NCCSc3nccn3C)CC2)n1 426479139 UPSQKHCYHAKJQT-UHFFFAOYSA-N 377.474 0.843 0 50 GCAA C[C@@H](C(N)=O)N1CCOC2(CCN(Cc3cccc(OCCO)c3)CC2)C1 828771348 LZPQBDQFWFXRBC-INIZCTEOSA-N 377.485 0.598 0 50 GCAA CC1(C)CN(S(=O)(=O)c2ccccc2C(=O)N2CCOCC2)CC[C@@H]1N 952844973 AFBQWUVIUQQRMN-INIZCTEOSA-N 381.498 0.907 0 50 GCAA CCOC(=O)[C@]12COCC[C@H]1CN(C(=O)c1cc3n(n1)CCN(C)C3=O)C2 1857673910 NXKISUUIHSKZNA-KPZWWZAWSA-N 376.413 0.011 0 50 GCAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2n[nH]c(C)n2)C1 1857690857 OXSOIKSTDFNMQZ-FUHIMQAGSA-N 390.532 0.942 0 50 GCAA O=C(Cn1ncc2ccccc21)N[C@@H]1CCC[C@@H](NC(=O)c2cncc(=O)[nH]2)C1 1857741009 XRUHHPRDDJDIFU-HUUCEWRRSA-N 394.435 0.977 0 50 GCAA CSCc1cccc(CNC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 2325731305 BFDCVMIRJQSTAG-UHFFFAOYSA-N 385.511 0.318 0 50 GCAA Cn1c(=O)n(C)c2cc(CNC(=O)c3cn(CCN4CCCCC4)nn3)ccc21 12836373 ZRYDDBSBXJXNPU-UHFFFAOYSA-N 397.483 0.884 0 50 GCAA O=C1CN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CCN1 71614798 TULMZKYDULWSHU-GOSISDBHSA-N 385.512 0.716 0 50 GCAA CN(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71757279 MDQYKDHSYTZNRJ-QGZVFWFLSA-N 387.528 0.962 0 50 GCAA CSCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71774510 OUVBFUUHKKJYHD-INIZCTEOSA-N 382.574 0.826 0 50 GCAA COc1cc(C)ccc1C(=O)N1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72436249 MMUPBBSOUVABCA-CVEARBPZSA-N 392.477 0.864 0 50 GCAA Cc1cccc(CN2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 72454798 MAMOQBOKPXQVKG-ZWKOTPCHSA-N 386.477 0.909 0 50 GCAA O=C(Cn1cccn1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77379585 IKFCMDXWECQSHR-UHFFFAOYSA-N 390.465 0.489 0 50 GCAA CCn1nccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95531429 AEWURAQVFZWDTM-UHFFFAOYSA-N 386.456 0.789 0 50 GCAA CN(C)C(=O)CCc1cccc(NC(=O)NC2CCN(CC(N)=O)CC2)c1 96147815 CFPYZJAUKYXOQW-UHFFFAOYSA-N 375.473 0.779 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)CC1 426497315 VKNXEFRVEQDDQF-KRWDZBQOSA-N 395.529 0.744 0 50 GCAA O=C(NS(=O)(=O)C[C@H]1COCCO1)c1ccc(O[C@H]2CC2(F)F)cc1 888100333 XJVQUSRBYSTCTI-OLZOCXBDSA-N 377.365 0.948 0 50 GCAA O=C(O)[C@]12CCCN[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 1529153920 WSRWMMVBKHPWKZ-WBVHZDCISA-N 382.438 0.675 0 50 GCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1565509877 GRVLBTQFPGSDAE-IEAZIUSSSA-N 379.438 0.142 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cc1 1565511479 IEJNKAFOXYEDDZ-GJZGRUSLSA-N 377.422 0.695 0 50 GCAA Nc1ccc(C(=O)N2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@@]3(CO)C2)cn1 1772705670 OVVGAGHOJMIAMI-UTKZUKDTSA-N 395.463 0.585 0 50 GCAA COCCn1ccnc1CN1C[C@H]2CN(c3ccncc3F)C[C@]2(CO)C1 1772804555 QVBWWBKMJNITEJ-KXBFYZLASA-N 375.448 0.994 0 50 GCAA CCOC(=O)N1CCC(N2C[C@H]3CN(C(=O)CSC)C[C@]3(CO)C2)CC1 1772819998 ZSEFMBMFSBYZNO-KSSFIOAISA-N 385.530 0.723 0 50 GCAA O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)C1CCOCC1)C2 1857686163 KMDOHLAIVOOKKC-QWHZDKJVSA-N 388.468 0.895 0 50 GCAA CNc1ccc(Cl)cc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1857739175 FDTWHDWKEQLXAO-IINYFYTJSA-N 375.878 0.706 0 50 GCAA CS(=O)(=O)[C@@H]1C[C@]1(CN)C(=O)N[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2 1875404422 IJQBTSOEOWCWMB-VYIWNADRSA-N 377.510 0.528 0 50 GCAA C[C@H](CCNC(=O)c1[nH]nnc1C1CC1)N(C)C(=O)c1cnn2c1OCCC2 2325829566 MVDQAIYFVRHDPA-LLVKDONJSA-N 387.444 0.942 0 50 GCAA O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)NC(N2CCOCC2)=N1 9484137 PVUWQKBAPUHSQL-LBPRGKRZSA-N 381.230 0.964 0 50 GCAA CN1CCN(C(=O)Cn2nnnc2CN2CCOCC2)C[C@@H]1c1ccccc1 19228853 QTPYCXAZFTYZSF-QGZVFWFLSA-N 385.472 0.021 0 50 GCAA COC[C@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)CN1C(=O)CNC1=O 55243959 AJVPVEWSZZILDY-LBPRGKRZSA-N 379.413 0.619 0 50 GCAA CNC(=O)[C@H](C)CNc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 71748839 IBWAYUKGBLQQFI-OAHLLOKOSA-N 389.500 0.812 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)CCn3cccn3)CC2)C1 71762926 HOLKMYJEZPCLKX-QGZVFWFLSA-N 391.516 0.739 0 50 GCAA Cc1nc(C2CCN(C(=O)[C@@H]3CNCCO3)CC2)cc(N2CCOCC2)n1 72408355 ZPZOQAPMJRBKCR-KRWDZBQOSA-N 375.473 0.316 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CNC(=O)N(C)C)CN1Cc1ccc(C)o1 91617007 KKECCRSBQCATDV-ZFWWWQNUSA-N 379.461 0.054 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2cccc(Cn3cccn3)c2)C1 91650794 QSOGSGNOBVUOHM-MRXNPFEDSA-N 378.454 0.322 0 50 GCAA O=C(N[C@H]1CCNC1)c1cccc(S(=O)(=O)NCCCn2cccn2)c1 215518978 CXCDKQDORJHKIU-HNNXBMFYSA-N 377.470 0.343 0 50 GCAA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nn[nH]n1 218294515 NAPTYYLMCUPJDZ-HNNXBMFYSA-N 375.348 0.953 0 50 GCAA O=C1CN(NC(=O)C(=O)Nc2ccc(Br)cc2Cl)C(=O)N1 225688239 CFTDLKBRTCZWFZ-UHFFFAOYSA-N 375.566 0.624 0 50 GCAA O=C(O)[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)CCN1 244673891 HXONDWKHWKLYOY-UMVBOHGHSA-N 388.424 0.304 0 50 GCAA Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCN(c2ncccc2C(N)=O)CC1 282834008 KBKZWKNZEGQBFZ-OAHLLOKOSA-N 383.456 0.823 0 50 GCAA Cc1ncc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)[nH]1 426514919 UYRYEIHOLZIUFX-QGZVFWFLSA-N 389.500 0.797 0 50 GCAA Cn1ccc2cc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)ccc21 825640382 NHWAWWNZGFWDAA-UHFFFAOYSA-N 378.498 0.873 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@H]1O 1529152045 OBRFXCGBNUQUGZ-DOTOQJQBSA-N 382.482 0.750 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)s1 1857710188 LAFNSHHPAZGTSB-GFCCVEGCSA-N 387.469 0.775 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)C1 2325888768 XUEASDBRNWEVMF-AWEZNQCLSA-N 377.466 0.908 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)NC4(C(=O)O)CCC4)ccc3C2=O)C(=O)N1 2325896424 YHSHYMXMBZRCIS-CYBMUJFWSA-N 385.376 0.185 0 50 GCAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1 11997213 RGPCROXZCQVCCT-CQSZACIVSA-N 385.486 0.709 0 50 GCAA Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NC1CCCC1)C2 14542204 UJHHFVPRCOTYBY-INIZCTEOSA-N 375.517 0.872 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 20731645 JEWYJROLCXUGQP-LBPRGKRZSA-N 385.873 0.797 0 50 GCAA COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 45030432 SANWLCZVQPDCRI-UHFFFAOYSA-N 382.486 0.863 0 50 GCAA CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1 82106366 ZTRFDJWGNUYRRI-UHFFFAOYSA-N 378.458 0.644 0 50 GCAA CC(C)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95357044 MBDFFLHPYJYTPF-JKSUJKDBSA-N 389.543 0.869 0 50 GCAA Nc1nnc(SCC(=O)N2CCN(c3ccc4nccn4n3)CC2)s1 215059299 MFONOORSKWCNGW-UHFFFAOYSA-N 376.471 0.604 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc4c(c3)OCO4)C2=O)n(C)n1 328613326 RNKFWVFUUWNIQC-ZDUSSCGKSA-N 392.437 0.931 0 50 GCAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2c(CC)nn(C)c2CC)n1 328642238 YIMJKWHOLIQZGA-GXFFZTMASA-N 383.474 0.987 0 50 GCAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCO[C@@H](CNc3nccn(C)c3=O)C1)CO2 333144133 KTWSQOFGMHAXPC-DOTOQJQBSA-N 398.463 1.213 0 50 GCAA O=C(CN1CCCC1)N1CCN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 363298769 INEPDXQSOASYMW-KRWDZBQOSA-N 390.488 0.834 0 50 GCAA COc1cccc(CN2CCN(C(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)CC2)c1 584887713 ROWTXTHBEKQZLM-MRXNPFEDSA-N 385.468 0.497 0 50 GCAA COc1cc(=O)n2c(c1C(=O)NCc1nc(-c3ccccn3)no1)CCNCC2 824530779 QKCHHVPPQVRPPZ-UHFFFAOYSA-N 396.407 0.378 0 50 GCAA CN1CCc2cc3c(c(OCC(=O)NCCN4CCCC4)c2C1=O)OCO3 827841230 DDGSGRNUYYJVHG-UHFFFAOYSA-N 375.425 0.634 0 50 GCAA biogenic O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)cc1)N1CCCC1 908309622 VXWQVOHXJKVPFL-LSDHHAIUSA-N 392.474 0.565 0 50 GCAA CN(C)c1ccc(C(=O)NCC2CCN(S(=O)(=O)N3CCCC3)CC2)cn1 952983725 VLJOGCCCQCEHPL-UHFFFAOYSA-N 395.529 0.930 0 50 GCAA Cn1cccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C=C/c1ccccc1 1772814350 URGXOJXBCOBWPX-DMGQIGSTSA-N 387.461 0.750 0 50 GCAA Cc1nc[nH]c1-c1nnc2n1C[C@]1(CCN(C(=O)c3cc(C)n(C)n3)C1)OC2 1857684643 WLFCBTUINFWCEY-GOSISDBHSA-N 382.428 0.834 0 50 GCAA C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccnc3ccnn23)C[C@@H](C)O1 1875353129 KLFAXVIOEUGGFL-TXEJJXNPSA-N 382.446 0.290 0 50 GCAA CCC(CC)c1cc(C(=O)N2CC3(C2)[C@@H](C(=O)NC)CCS3(=O)=O)on1 1875395946 QSAWGHWKWAYVKE-GFCCVEGCSA-N 383.470 0.954 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)nc3ccccc13)C2 1875396119 WAMFTXMGVWLEQG-OAHLLOKOSA-N 387.461 0.919 0 50 GCAA N=[S@]1(=O)CCCc2ncnc(N[C@@H]3CCN(c4cc(O)nc(O)n4)C3)c21 2325852291 YYSCAWLGCRUPCX-BGGANLFTSA-N 377.430 0.720 0 50 GCAA NC(=O)Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n(C[C@@H]2COCCO2)n1 2356140795 PUOLAJUHDGVCPY-LLVKDONJSA-N 386.387 0.918 0 50 GCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)C1 2356153318 BBHFVZWLNFMYJD-GFCCVEGCSA-N 399.538 0.650 0 50 GCAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C(O)N(C)C2=O)cc1 2867253 RAARLOIRHXNVNP-LBPRGKRZSA-N 394.331 0.568 0 50 GCAA COc1ccc(C(=O)N2CCSCC2)cc1S(=O)(=O)N1CCOCC1 16626663 DGEJHDGUSXFFLF-UHFFFAOYSA-N 386.495 0.905 0 50 GCAA COCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 55558867 PTNKVAFPFUUWTR-UHFFFAOYSA-N 398.467 0.392 0 50 GCAA O=C(c1ccc(-n2cnnn2)cc1O)N1CCC[C@H](N2CCC(CO)CC2)C1 72171415 BIFXBEWTXLEGLA-INIZCTEOSA-N 386.456 0.677 0 50 GCAA Cn1cccc1C(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72409320 MLGMZIMSQBPVGI-CVEARBPZSA-N 388.449 0.184 0 50 GCAA COCCOCC(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 91586790 LGNUTPOLNFHANB-INIZCTEOSA-N 378.473 0.842 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@H]2CCCO)CC1 95529360 JRXFTZCDAWBKGI-AEFFLSMTSA-N 386.500 0.580 0 50 GCAA CCS(=O)(=O)Nc1ccc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)O)cc1 96149357 XKLORQKUKFAFKI-CQSZACIVSA-N 378.410 0.823 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100928538 NLFLKHLVEJCFTP-CHPZLBCBSA-N 375.406 0.080 0 50 GCAA CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(=O)n(CC)c(=O)[nH]c3c1)CC2 114862776 VOBYBBHDRXUEMU-GFCCVEGCSA-N 382.424 0.608 0 50 GCAA Cn1nnc(-c2cccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)c2)n1 169772669 PXEQCRZQOFNBLW-OAHLLOKOSA-N 391.391 0.956 0 50 GCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 268889708 IAHQYZOXLFCKNA-KRWDZBQOSA-N 387.484 0.364 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C[C@H]1c1ncc[nH]1 328616379 BNMQNUWWKWMNLH-ZDUSSCGKSA-N 390.425 0.442 0 50 GCAA CS(=O)(=O)NC1CCN(C(=O)c2cccc(-c3cnc(N)nc3)c2)CC1 426494304 CUSHEUZIKLQSJK-UHFFFAOYSA-N 375.454 0.880 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCOC[C@@H]1OCC1CC1 1565505556 CFZCIKAABAGDKK-HOCLYGCPSA-N 384.454 0.657 0 50 GCAA Cc1ccc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)s1 1565516019 MFJXAWVTSHCBEG-OLZOCXBDSA-N 378.479 0.975 0 50 GCAA C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1C(=O)c1ncn(C(C)(C)C)n1 1775990449 XKFXQSJRLOAICG-WCQYABFASA-N 397.501 0.187 0 50 GCAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3nc(N)c4cnn(C)c4n3)C1)CC2 1857708384 QWTZSPDVOOECLY-IBGZPJMESA-N 395.471 0.992 0 50 GCAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)Cn2cc(C)c(O)nc2=O)CC1 1940195042 JNLGPVQUBUZYGB-UHFFFAOYSA-N 385.424 0.568 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2nccs2)C[C@H]1O)c1ccncc1F 1940198073 LIHGCIJWJMOCGG-ZLKJLUDKSA-N 378.429 0.905 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2CCCO)cc1OC 2100547663 MPIAYOVNGCPZBR-SJORKVTESA-N 376.413 0.915 0 50 GCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 11764812 OQZYCOYHYISYES-KRWDZBQOSA-N 378.517 0.694 0 50 GCAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1(C(N)=O)CC1 14958824 NIEWIDFHHITUKH-SFHVURJKSA-N 394.560 0.923 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCC(N2CCOCC2)CC1 20860531 GPMYOCKNOGFOMJ-QGZVFWFLSA-N 380.533 0.546 0 50 GCAA CN(CC1(CO)CCC1)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 72146563 WTNNLTGQBFIEPY-IBGZPJMESA-N 385.508 0.965 0 50 GCAA NC(=O)NCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 72474763 HTYNTMZNTXVPFL-UHFFFAOYSA-N 376.413 0.547 0 50 GCAA Cn1nc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccc1=O 95512577 DIBSKXSUNXXSRN-HXUWFJFHSA-N 398.467 0.591 0 50 GCAA Cn1nccc1CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 215899608 VLEYAFXXTSDXOM-INIZCTEOSA-N 392.481 0.850 0 50 GCAA Cn1cc(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c2ccccc21 222631723 PYUYBSORTGNFKB-BVPBIZIASA-N 377.466 0.542 0 50 GCAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC[C@H](C)[C@@H]1CN 237617881 ZQLXCTGDGOLOMY-BBRMVZONSA-N 377.489 0.433 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)c2)CCN1 276192092 CRATWEBJGIZKBG-QAPCUYQASA-N 384.436 0.232 0 50 GCAA Cc1nccc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)CC2)n1 366156743 PNSVSCVMZUUVGH-RVKKMQEKSA-N 388.472 0.443 0 50 GCAA O=C(Cc1cccs1)NCC1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 952977233 PMJHAHKAVBCCQJ-CYBMUJFWSA-N 378.454 0.244 0 50 GCAA Cn1ccc(C(=O)N2CC[C@@](C)(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)c1 1775989337 KZOVQENGKQAEGY-DLBZAZTESA-N 382.486 0.218 0 50 GCAA CN(CC(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1)Cc1ccc(F)cc1 1857713193 KJWFQGOKYLLPKN-BBWFWOEESA-N 383.489 0.443 0 50 GCAA CN=c1ncc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c[nH]1 1857721869 JNRRWDLMOUKFLG-YRNRMSPPSA-N 379.420 0.855 0 50 GCAA CO[C@@H](C)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 1875317674 HMHFPTOSIJPQPE-AWEZNQCLSA-N 381.440 0.953 0 50 GCAA CCc1nn(C)c(OC)c1CNc1cc(N2C[C@H](O)C[C@@H]2CN(C)C)ncn1 1875398296 KSZLLMDPSHRWQG-ZIAGYGMSSA-N 389.504 0.894 0 50 GCAA CN=c1[nH]c(C(=O)N2C[C@@H](C)C[C@H](NC(=O)[C@@H](NC=O)C(C)C)C2)cs1 2325872704 KIUFGCNODIEUEW-OBJOEFQTSA-N 381.502 0.344 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CCC[C@H](C(=O)O)C4)cc3C2=O)C(=O)N1 2325895534 CPNIJDKZFFKIQL-DZGCQCFKSA-N 399.403 0.384 0 50 GCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4ccc(S(N)(=O)=O)cc4)C[C@@H]13)O2 2356147350 SKHXDQGREVCXMP-CVYDXHPNSA-N 379.482 0.515 0 50 GCAA Cc1ccccc1OC[C@@H](O)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 629367 XLDNYYUIPIONLH-AWEZNQCLSA-N 399.451 0.772 0 50 GCAA CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 632474 CIKMTOYMWDHAQN-LLVKDONJSA-N 393.831 0.948 0 50 GCAA CCN1C(=O)[C@@H](CC(N)=O)N(NC(=O)c2cc(OC)cc(OC)c2)C1=S 1432285 KBQRQDKSCXSEJP-GFCCVEGCSA-N 380.426 0.042 0 50 GCAA CN(Cc1cccs1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77378258 SSMGJMQOOUJAMP-UONOGXRCSA-N 379.511 0.750 0 50 GCAA O=C(Cc1ccc(O)c(F)c1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77515965 QULRCDOVCKKBGK-CVEARBPZSA-N 382.457 0.794 0 50 GCAA CCc1nc(C)c(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)s1 91469051 LRYQKHDHZGNMFX-ZIAGYGMSSA-N 380.514 0.715 0 50 GCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)Cn2ccnc2-c2ccccc2)C1 95503589 RKKLOJMMVREKTE-OAHLLOKOSA-N 378.454 0.327 0 50 GCAA CCN(C[C@H]1CCCO1)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O 95523116 PZFGOKBRTXGMFV-QGZVFWFLSA-N 377.489 0.413 0 50 GCAA O=C1N[C@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)Nc2ccccc21 206229235 MXDQRQZWVQAMEQ-OAHLLOKOSA-N 396.403 0.705 0 50 GCAA O=C(NC[C@@H]1COCCO1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 299763535 XLYGMNQOLSFKFM-MRXNPFEDSA-N 379.413 0.461 0 50 GCAA CN(C)C1=NC2(CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)C(=O)N1 299779672 QTYQHZMEEBRKKB-UHFFFAOYSA-N 380.452 0.954 0 50 GCAA C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCC[C@](O)(C(=N)O)C1 332528664 GGKJBPQYLVILJX-AUUYWEPGSA-N 376.457 0.791 0 50 GCAA Cc1ncc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)[nH]1 376316409 LGTBEOVUDLWDKU-STQMWFEESA-N 376.438 0.916 0 50 GCAA Cc1cc(C(F)(F)F)nc(CNC(=O)N2CCO[C@@H](C(=O)N(C)C)C2)n1 426689877 OLLMVFMLFQUTAD-SNVBAGLBSA-N 375.351 0.802 0 50 GCAA CCc1nccn1CCC(=O)NCC1CCN(C(=O)c2ncc[nH]c2=O)CC1 952967117 IPUHOEWZZVSANV-UHFFFAOYSA-N 386.456 0.588 0 50 GCAA O=C1CC[C@@H](C(=O)NCC2CCN(Cc3nc(C(F)(F)F)no3)CC2)N1 1506414425 PRGPINKJYNHZPF-JTQLQIEISA-N 375.351 0.695 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)C[C@H]1O 1529106314 MVRCJOMYEFQSGV-KBXCAEBGSA-N 385.505 0.979 0 50 GCAA C[C@H](C(=O)N1CCCN(C(=O)c2ccccc2-c2nn[nH]n2)CC1)n1cccn1 1529197434 QIIYTSAOPAHCSH-CQSZACIVSA-N 394.439 0.999 0 50 GCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)CSc3ccccn3)C[C@@H]2O)no1 1565508059 NRTXTJMIVSIREN-JSGCOSHPSA-N 376.438 0.862 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC1CCOCC1)C1Cc2ccccc2C1 1775982593 AMDAFJBJVKXSJE-QZTJIDSGSA-N 378.494 0.452 0 50 GCAA O=C1C[C@H]2[C@H](CCN2C(=O)CCn2cnnn2)N1CCOCc1ccccc1 1857692944 ARZAZWXGSGAEPO-IRXDYDNUSA-N 384.440 0.482 0 50 GCAA CN(C)C(=O)NCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857725304 PJKNNHNVHLTGRT-WMZOPIPTSA-N 392.504 0.446 0 50 GCAA O=C(CN1CCOC1=O)N[C@H]1CC[C@H](C(=O)NCc2ccccc2)C[C@@H]1O 1875240096 HYPZZMWPTMMPNU-JYJNAYRXSA-N 375.425 0.401 0 50 GCAA O=C([C@H]1CC(=O)N(C2CNC2)C1)N1CCO[C@H](COc2ccc(F)cc2)C1 1875315820 JBSICXGFZVDMQV-GUYCJALGSA-N 377.416 0.252 0 50 GCAA C[C@@H](C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cc1nccs1)N1C(=O)CCC1=O 1875345909 MKHNKKLBFHRIAD-AAEUAGOBSA-N 392.481 0.576 0 50 GCAA O[C@H]1CCN(c2ccnc(N3CCc4nc(C5CCOCC5)nn4CC3)n2)C1 2356149784 BFGGCJGRZPZMHM-HNNXBMFYSA-N 385.472 0.596 0 50 GCAA Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN4CCC[C@H]4C3)C2)cnn1C 2732533 WQHJUKPIGZTLOJ-HOTGVXAUSA-N 395.529 0.436 0 50 GCAA CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 15065383 GHBDRRINJPAFBD-OAHLLOKOSA-N 379.457 0.235 0 50 GCAA CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 15400670 YYGVKUOGFOIJAW-UHFFFAOYSA-N 376.276 0.965 0 50 GCAA Cc1nc(NC(=O)CN2CCN(c3ncccn3)CC2)sc1C(=O)N(C)C 20343314 SAVPWPGUWKGWJI-UHFFFAOYSA-N 389.485 0.704 0 50 GCAA Cn1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71681226 RDJDHULDRJQNCA-INIZCTEOSA-N 389.500 0.596 0 50 GCAA NC(=O)c1noc(CN2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71746056 HQPYJJPMEHZEMQ-CQSZACIVSA-N 390.488 0.467 0 50 GCAA Cc1noc(C)c1C(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72478682 ZNRXDIZHBPBOSJ-CVEARBPZSA-N 390.465 0.810 0 50 GCAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1c[nH]nc1-n1cnnn1 72479260 OVJNHRKOPAHOFX-OAHLLOKOSA-N 378.440 0.747 0 50 GCAA C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1nncn1C 95376571 GHEGVQSANMJHOD-LBPRGKRZSA-N 379.442 0.327 0 50 GCAA CN(CCc1ncon1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC2)c1 95390232 YGLBQYCFOQOIQG-CYBMUJFWSA-N 380.426 0.452 0 50 GCAA Nc1nc(CNC(=O)CCCn2nnnc2CN2CCc3ccccc3C2)n[nH]1 95499372 WHCKUTZSSBUWDA-UHFFFAOYSA-N 396.459 0.028 0 50 GCAA CCCN1CCN(C(=O)c2ccccc2-c2nnn[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 95530371 HIMVYSHCZJQAON-CABCVRRESA-N 390.469 0.200 0 50 GCAA CC(=O)N1CCN(Cc2nnc(-c3cccc(F)c3)o2)[C@H]2CS(=O)(=O)C[C@H]21 95531005 IDWWXWWSJKEWSL-LSDHHAIUSA-N 394.428 0.705 0 50 GCAA CN1CCCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H](CN)C3)c2)CC1 97742661 QKWOLWSUPBFUPF-OAHLLOKOSA-N 380.514 0.434 0 50 GCAA Cc1ccc(CN2C[C@H]3CN(C(=O)C4=NNC(=O)CC4)C[C@@]3(C(=O)O)C2)cc1 215016574 BNKWHDPVXSUPBH-YWZLYKJASA-N 384.436 0.606 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1F 253419189 KKDUDXZWRWPPLK-UHFFFAOYSA-N 388.446 0.552 0 50 GCAA CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)C1 332883109 HXJHPBJYPHKGOL-WCQYABFASA-N 375.882 0.774 0 50 GCAA CCCn1nccc1S(=O)(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 426392787 KMIDNCCQXFHADV-UHFFFAOYSA-N 394.501 0.966 0 50 GCAA O=C1CN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CCN1C1CCCC1 426435465 XETVJKYCKJCYSF-CQSZACIVSA-N 375.473 0.976 0 50 GCAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)c3cncc(F)c3)C[C@@]2(CO)C1 1772812405 IFRGEQTWAAPKNO-PBHICJAKSA-N 385.461 0.717 0 50 GCAA COCCc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cccc(O)n2)no1 1800410112 OGRLDZSFRSILJS-STQMWFEESA-N 387.396 0.375 0 50 GCAA COCCN=c1[nH]c(C)nc2c1CCC21CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1857685491 LFZOJQMTHFAYOI-OAHLLOKOSA-N 387.484 0.350 0 50 GCAA CC(C)C[C@@H]1[C@H](C(=O)N2CCOCC2)C[C@@H]2CN(c3cnccn3)CC(=O)N21 1857704495 USSBGOAZKMNASQ-BRWVUGGUSA-N 387.484 0.787 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCCc3noc(C)n3)CC2=O)s1 1857719670 SJYDNHYQEISKSI-SNVBAGLBSA-N 380.430 0.478 0 50 GCAA CN1CC[C@@H](O)[C@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C1 2100557204 PJLHOUVAQYSPSY-ZIAGYGMSSA-N 375.878 0.047 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3nncn3C)OCC(=O)N2C2CC2)cc1 2356170199 ZQUWQCRXTMOQGN-MOPGFXCFSA-N 399.451 0.913 0 50 GCAA C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 4475322 RIRGCFBBHQEQQH-SSFGXONLSA-N 385.424 0.481 0 50 GCAA biogenic,in-vivo CCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67459783 UNCXUBIULFOZEQ-DLBZAZTESA-N 391.472 0.579 0 50 GCAA CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H](C)O)CC3)OC2=O)CC1 77554732 SHWJNDNGIATPRN-INIZCTEOSA-N 382.505 0.208 0 50 GCAA CN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1)C1CCNCC1 97572178 RMWMGNDBAPZARB-CQSZACIVSA-N 381.498 0.825 0 50 GCAA O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCN(C(=O)Cn2cnnn2)CC1 120839474 KHOGRZNQMZAMJD-UHFFFAOYSA-N 387.831 0.721 0 50 GCAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(c2nc[nH]n2)CC1 426414659 OLHDOYMSEWPHFV-KRWDZBQOSA-N 382.468 0.901 0 50 GCAA Cn1c(O)nnc1CCNC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704307400 YNRBDFZIWHNUOD-UHFFFAOYSA-N 398.423 0.985 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NCc3ncc[nH]3)n2)cc1OC 1857688022 PNTRXJNDUPVQFL-GFCCVEGCSA-N 399.455 0.945 0 50 GCAA Cc1c(C(=O)NCCNC(=O)c2n[nH]c3ccccc23)nnn1-c1ccn(C)n1 1875253356 WSCHVLSSOBTCOK-UHFFFAOYSA-N 393.411 0.345 0 50 GCAA CC(C)(C)c1ccc(OCC(=O)N2CC3(C2)[C@H](C(N)=O)CCS3(=O)=O)cc1 1875395753 KZGLITHDOXXXNU-HNNXBMFYSA-N 394.493 0.864 0 50 GCAA O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CC(O)(CO)C1 2325757381 GEUMLERCUUJGHZ-UHFFFAOYSA-N 390.465 0.124 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4cncnc4)ccc3C2=O)C(=O)N1 2325901714 VGJZQSVARKBGTN-CQSZACIVSA-N 380.364 0.882 0 50 GCAA COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N([C@H]2CCS(=O)(=O)C2)C3)cc1 4751851 QNHQBDSQKRSOIN-BLLLJJGKSA-N 391.449 0.675 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCC1(N2CCOCC2)CCCC1 15071696 CAHFSBHZXLKQIZ-QGZVFWFLSA-N 394.560 0.984 0 50 GCAA Cc1nonc1CN(C)Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 19225170 IWMJIMGLHIMFMN-SFHVURJKSA-N 389.500 0.997 0 50 GCAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1 67621450 WIOSQYZWRWNQAM-QGZVFWFLSA-N 381.498 0.673 0 50 GCAA COc1nc2c(cc1CNC(=O)CCNC(N)=O)C(=O)N(C1CCCC1)C2 71777226 QURZXORAXWMLMC-UHFFFAOYSA-N 375.429 0.663 0 50 GCAA Cn1c(=O)n(C)c2cc(CNC(=O)CCc3cc4n(n3)CCCNC4)ccc21 72421682 DRCPOBZTFGBLCL-UHFFFAOYSA-N 382.468 0.816 0 50 GCAA CC1(C)CN(C(=O)C(=O)Nc2ccccc2)CC[C@]1(O)CN1CCOCC1 91351150 NZKFIOMABSKFDF-FQEVSTJZSA-N 375.469 0.947 0 50 GCAA CNC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCSC)c1 95370913 RQLLKPNXSNKGOZ-GFCCVEGCSA-N 387.527 0.925 0 50 GCAA O=C(c1ccn(CC(F)F)n1)N1CCN(S(=O)(=O)c2cccnc2)CC1 193792601 ADZXUZPSKPUKLT-UHFFFAOYSA-N 385.396 0.690 0 50 GCAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H]2C(=O)O)c1 269179895 KVYSJNFKKASBDK-JTQLQIEISA-N 377.216 0.786 0 50 GCAA CN(CCOc1ccc(F)cc1)C(=O)Cn1cc(C[C@@H]2N=C(O)N=C2O)nn1 328614630 WKJVLSAFGYECMI-AWEZNQCLSA-N 390.375 0.750 0 50 GCAA CC(=O)c1cc2c(cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)OCCO2 952962180 AMABVGFLMBHQSU-GFCCVEGCSA-N 382.438 0.718 0 50 GCAA CC1=NO[C@](C)(C(=O)N2CCC(CNC(=O)c3ccc(=O)n(C)n3)CC2)C1 1506414422 PQHRYMWKXCJCBY-SFHVURJKSA-N 375.429 0.304 0 50 GCAA Cc1cccc(N(CC(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)S(C)(=O)=O)c1 1772808377 ONNDTGXUJATGRP-ZBFHGGJFSA-N 379.482 0.698 0 50 GCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC[C@H]1COCCO1)CC2 1775983098 RWYKRGZPKFKDSY-INIZCTEOSA-N 391.516 0.667 0 50 GCAA CN1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)c2cc3cnccc3[nH]2)CC1 1875332158 MQDGGJZQAJESEX-QGZVFWFLSA-N 385.468 0.740 0 50 GCAA CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3ccnn3[C@H]3CC3(F)F)C[C@@H]12 1875395141 MWXZLPUTSAAROY-RNJOBUHISA-N 390.412 0.417 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)NCC4(C(=O)O)CC4)cc3C2=O)C(=O)N1 2325897331 USJLLUAGUZLETN-CYBMUJFWSA-N 385.376 0.042 0 50 GCAA CN(C)CC1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)[C@@H]2CC2(C)C)CC1 2332237825 NKGZOMDNTLQFNP-OWCLPIDISA-N 399.557 0.362 0 50 GCAA CN(Cc1ccccc1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[C@@H]1CCCO1 2332238041 WGUTYMWDNFDZAC-GVDBMIGSSA-N 394.493 0.744 0 50 GCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3ccccc3-c3nc[nH]n3)C2)cc1=O 77505662 SRPGIJNPRWRFKH-ZDUSSCGKSA-N 379.424 0.822 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1ccnc1)CC2 95505922 RFWLRGMSWQBWJG-CQSZACIVSA-N 386.456 0.716 0 50 GCAA CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)O)C(C)C 169589917 ZNGPROMGGGFOAA-OWCLPIDISA-N 379.457 0.628 0 50 GCAA O=C(CCCN1CCOCC1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 223387856 SBDNZENWQJEYTN-RTBURBONSA-N 378.469 0.944 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C[C@H]1O 299769666 OZVRSLZQIUZQDK-CHWSQXEVSA-N 383.495 0.873 0 50 GCAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)C[C@@H]1COC(=O)C1 328638954 PGSCYXYVVQIQHG-IHRRRGAJSA-N 379.436 0.871 0 50 GCAA CC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc(=O)n(-c3ccccc3)[nH]1)C2 426730430 PDPGSDKTWFDWPO-UHFFFAOYSA-N 380.408 0.654 0 50 GCAA CCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)CSc3nnnn3C)[C@H]2C1 534655216 ILGCGDNTQWOSBZ-BFQNTYOBSA-N 382.490 0.367 0 50 GCAA O=C(CN1CCCCC1=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670454088 NGRWQMUBADDRSF-LPBNZCGVSA-N 382.508 0.683 0 50 GCAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC1CCS(=O)(=O)CC1)C2=O 753589921 GQCLZEAJZBGHKB-PXAZEXFGSA-N 386.470 0.855 0 50 GCAA CCN(c1ncnc2c1ncn2C[C@@]1(O)CCOC1)[C@H](C)CS(=O)(=O)CC 823096907 APLJBBXSIXMHAR-DYVFJYSZSA-N 397.501 0.627 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cc1 1506420277 ALRUBBZXVKYQKV-CJNGLKHVSA-N 379.438 0.879 0 50 GCAA Cc1ncnc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)c1C 1506421467 PZWDCVFCMHXALM-UHFFFAOYSA-N 393.444 0.842 0 50 GCAA Cc1n[nH]cc1-c1nc(-c2cc3n(n2)CCN(C)C3=O)n(CCc2cnc[nH]2)n1 1857677953 GOCQZOQNAKALQO-UHFFFAOYSA-N 392.427 0.892 0 50 GCAA CO[C@H]1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CC[C@@H]1NC1CCOCC1 1857693041 FWZJNTTWMIGVRG-XIRDDKMYSA-N 392.504 0.406 0 50 GCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)N(C)Cc3ccccc3)C[C@@H]12 1857727303 PKECCAWJCXUAAF-JYJNAYRXSA-N 387.527 0.022 0 50 GCAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cn1cncn1 1875261707 SEABRHQEMYGCTJ-JTQLQIEISA-N 388.833 0.850 0 50 GCAA Cc1cc(C)nc(C2CN(c3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)C2)n1 1875398214 HFYSIWLIKKQTRT-IAGOWNOFSA-N 383.500 0.988 0 50 GCAA Cn1ncc(C(=O)O)c1C(=O)NCc1nc2ncc(Br)cn2n1 2325866240 FFPNORACRQIJLA-UHFFFAOYSA-N 380.162 0.249 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@H]4C(=O)O)ccc3C2=O)C(=O)N1 2325895608 FFKAOEVCCOZNJE-ZIAGYGMSSA-N 385.376 0.137 0 50 GCAA O=C1CC[C@H](N2C(=O)c3ccc(C(=O)NC4(C5CC5)CC4)cc3C2=O)C(=O)N1 2325897702 FDSVBEYAKDAVEV-AWEZNQCLSA-N 381.388 0.760 0 50 GCAA CCc1nc(C)c(CC(=O)N2CCC[C@]23CCCN(CCO)C3=O)c(O)n1 2356163416 ZZHDMFXCXHGXCW-IBGZPJMESA-N 376.457 0.571 0 50 GCAA CCOC(=O)N1CCN(C(=O)Cn2nnnc2CN2CCC(C)CC2)CC1 11879093 QXPDKTPPRJRQLO-UHFFFAOYSA-N 379.465 0.206 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCN1CCCCC1=O 14968868 IDLYSSYKRYGECN-QGZVFWFLSA-N 390.459 0.645 0 50 GCAA O=C(NCCCn1cccn1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20601786 PGVBSEAWMOSYRT-QGZVFWFLSA-N 377.489 0.350 0 50 GCAA CN(Cc1cccc(-c2nnn[nH]2)c1)C(=O)c1cn(C[C@H]2CCCNC2)nn1 65403467 ORUSKUVUCQRTSR-AWEZNQCLSA-N 381.444 0.730 0 50 GCAA NC(=O)c1ccc(NC(=O)CCN2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 65403606 XSOWOIONOBAAHJ-QGZVFWFLSA-N 388.468 0.827 0 50 GCAA CCn1ncnc1[C@H](C)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67740509 VAPOAELQCMPSPX-QMMMGPOBSA-N 385.471 0.743 0 50 GCAA O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 92081807 VKCMMSUIHBTQBL-GFCCVEGCSA-N 377.832 0.849 0 50 GCAA COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C(=O)[C@@H](C)O)CC1 95525187 LDDBCSNJGFJCSK-CQSZACIVSA-N 393.484 0.737 0 50 GCAA CCn1nc(Cn2cncn2)nc1CCc1ccc(S(=O)(=O)NC)cc1 96139603 HTNWXRORPHOIJU-UHFFFAOYSA-N 375.458 0.631 0 50 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0.764 0 50 GCAA CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccc2c(c1)OCCO2 1857725552 BXISOXXYXVLBFU-UONOGXRCSA-N 377.422 0.796 0 50 GCAA CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)cc1 1857728821 NNGNSPVPQCWPGI-KBMXLJTQSA-N 381.498 0.966 0 50 GCAA NC(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)Cc3ccc(Cl)cc3)C2)n[nH]1 1875328190 DPCYVLFDEVARBL-LBPRGKRZSA-N 375.816 0.735 0 50 GCAA O=C(CCc1cn[nH]c1)N[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[C@H]1O 2100542627 BDOHBRAQQKJMKI-CGTJXYLNSA-N 386.452 0.793 0 50 GCAA CCc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1 13130640 VRCCVTLTIUYXHQ-UHFFFAOYSA-N 395.397 0.740 0 50 GCAA CSc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N3C2)cc1 14733433 XYVQGPJMJAIZSQ-OJDJGZDQSA-N 378.454 0.379 0 50 GCAA Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55254283 YJXLVLMWMDQVJM-MRXNPFEDSA-N 375.404 0.866 0 50 GCAA CC(C)c1cc(C(=O)N2CCN(Cc3cnc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 82092303 OHSPRZVCHCPKLU-CVEARBPZSA-N 392.485 0.380 0 50 GCAA 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Cc1ccc(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529180213 DGYKGDLNCUDKFQ-GOEBONIOSA-N 384.498 0.863 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)[C@]23CNC[C@H]2CN(C2CCCC2)C3)cc1 1565512229 UNUXLBFLVCUJLJ-KXBFYZLASA-N 392.525 0.414 0 50 GCAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1616097067 MSJBHYLAOCKFQI-KGLIPLIRSA-N 385.873 0.574 0 50 GCAA COc1ccc(Cl)cc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704301374 WTGZIBQHVXLKDV-GWCFXTLKSA-N 376.862 0.985 0 50 GCAA Cc1ncsc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCn1nnnc1C)C2 1704311903 WJRJECVFUUZDNV-GJZGRUSLSA-N 391.501 0.496 0 50 GCAA NC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C(F)(F)F)c(O)c1)C2 1857528201 OVSAYBYYZNTHHE-JTQLQIEISA-N 392.355 0.526 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3cncn3C)CC(=O)N2[C@@H]1c1ccccc1 1857704268 LEDWFGNZGOPACC-GPMSIDNRSA-N 395.463 0.970 0 50 GCAA Cc1nonc1C(=O)NC[C@H]1[C@H]2CN(c3ncnc4[nH]cnc34)C[C@]23CC[C@H]1O3 1857716800 FKPLXZIYLDZZIY-PLGNDBNPSA-N 396.411 0.458 0 50 GCAA CCCn1cnnc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 1875244181 CGJUBWSHDJSOPK-BFHYXJOUSA-N 390.444 0.479 0 50 GCAA CC(C)(O)Cc1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355934 HCVGXAZGSVSTOO-OAHLLOKOSA-N 383.408 0.342 0 50 GCAA CCCc1cc(C(=O)NCC23CC(C(=O)NC)(C2)C2(CCNCC2)O3)n[nH]1 1875393172 IJXSLUZRNHDZCO-UHFFFAOYSA-N 375.473 0.509 0 50 GCAA CNc1cc(N2C[C@H](O)C[C@@H]2CNC2CCN(C(=O)N(C)C)CC2)ncn1 1875397717 LGQMCSFITAARAO-HUUCEWRRSA-N 377.493 0.194 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1cc(C)nc(C)c1 2100482660 PGRGPAAHANWQJP-USXIJHARSA-N 390.484 0.994 0 50 GCAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccnn2C)CC1=O 2325819939 VNJUVNMQRBBDFR-JSGCOSHPSA-N 376.438 0.835 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCN2CCCC2)c(F)c1 11839585 QZSAKFRDRQIBJA-SFHVURJKSA-N 392.475 0.737 0 50 GCAA COc1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COC(C)C)CC2)cc1 20254719 QCJPQXFCSLYFFY-MSOLQXFVSA-N 382.501 0.838 0 50 GCAA O=C(c1ncc[nH]1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71746049 BGFXBLKVBBLPFM-OAHLLOKOSA-N 375.473 0.585 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c(C)n2)cc1 72156300 HZSUMXLENLUMBJ-INIZCTEOSA-N 386.456 0.519 0 50 GCAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 239235381 VWGAURLPXKOXOZ-AAVRWANBSA-N 380.378 0.104 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(c3nc4ccccc4o3)C[C@H]2C1 247915499 BAQPZJOAASELHF-GUYCJALGSA-N 380.470 0.897 0 50 GCAA CN1CCC(N2CCC(C(=O)NCc3nc(-c4cnccn4)n[nH]3)CC2)CC1 426423407 LSIGKMPKPGBCSM-UHFFFAOYSA-N 384.488 0.684 0 50 GCAA CC(=O)c1c(C)nn(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)c1C 1565515507 YGKLWMAMUBFPCQ-CABCVRRESA-N 382.486 0.585 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC1CCN(C(=O)c2ccncc2)CC1 1704312883 DFNHOVOZXJBZJA-RDJZCZTQSA-N 396.513 0.182 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCCn3ccnn3)CC2=O)s1 1857731316 DVAKQHYKAGPCKO-NSHDSACASA-N 379.446 0.226 0 50 GCAA O=C([C@@H]1C[C@@H]2CNCC(=O)N2[C@@H]1c1ccccc1)N1CCC(N2CC(O)C2)CC1 2100483172 WNELRWGHKLOIOS-YFVAEKQCSA-N 398.507 0.216 0 50 GCAA CC(C)C(=O)NCCn1cc([C@H](C)NC(=O)c2cc(O)nc(N(C)C)n2)nn1 2325826162 RCNVAMMIMHSGED-NSHDSACASA-N 390.448 0.103 0 50 GCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCN(Cc2nccn2C)CC1 11818958 RQWYRJAIXCGYKL-KRWDZBQOSA-N 390.532 0.301 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 11996565 UASUVKWEXXVNLY-KBPBESRZSA-N 386.495 0.391 0 50 GCAA COc1cc(COC[C@H](O)CN2CCN(CCO)CC2)cc(OC)c1OC 19770858 KBYQIWIUNMYULX-MRXNPFEDSA-N 384.473 0.200 0 50 GCAA CN1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 77320349 DXULPBBAVGRBHZ-CVEARBPZSA-N 375.450 0.092 0 50 GCAA CC[C@H]1COCCN1S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 77505645 FMCDIYMDRINWCI-ZDUSSCGKSA-N 377.488 0.704 0 50 GCAA Cc1cc2nc(C(=O)N3C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C3)cc(C)n2n1 91441678 SEEHANPDTVDXRC-DZGCQCFKSA-N 379.486 0.992 0 50 GCAA CCNC(=O)CN1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 91934541 NUQDSSOULSJTEG-IBGZPJMESA-N 388.512 0.558 0 50 GCAA CCS(=O)(=O)N1C[C@@H]2CN(CCCn3nc(C)cc3C)C[C@]2(C(=O)O)C1 96163619 WPWWCNNLJZNRIX-RDJZCZTQSA-N 384.502 0.558 0 50 GCAA COC(=O)[C@@]1(C)N[C@@H](c2cnn(-c3ccccc3C)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210355658 BAZMOWPAGDCAKN-ULMVMLMRSA-N 382.420 0.988 0 50 GCAA CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 332758722 OGIVZZOABVZEPJ-JKSUJKDBSA-N 388.534 0.304 0 50 GCAA C[C@@H](C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)N1CCN(C)CC1 823789511 YWRMXJWOYYIQBF-INIZCTEOSA-N 390.484 0.499 0 50 GCAA Cc1n[nH]cc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O 1506406978 HYHDKDOYCMEWNK-UHFFFAOYSA-N 394.453 0.717 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCOC(C)(C)C2)cc1OC 1529101342 DUOMMIDMFNXPSU-SJORKVTESA-N 378.425 0.897 0 50 GCAA O=C(CCn1ccc(O)nc1=O)N1CCCN(C(=O)Cc2cccs2)CC1 1529198505 BKIHBIHRCIQZQE-UHFFFAOYSA-N 390.465 0.704 0 50 GCAA Cc1nc(SCC(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)n[nH]1 1565515551 NMBKROMEPIITDM-STQMWFEESA-N 382.515 0.722 0 50 GCAA CCCc1cc(=O)n(-c2ccc(C(=O)N(C)[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)[nH]1 1615697973 IOOAPAHKUCMMKR-HOTGVXAUSA-N 393.465 0.348 0 50 GCAA Cc1ccn(CC(=O)N2CC[C@]3(C2)Cn2c(nnc2C2CCOCC2)CO3)n1 1857685828 WJEQLVSDAMRSHZ-IBGZPJMESA-N 386.456 0.879 0 50 GCAA O=C(c1cnc[nH]1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857723980 GILNDYLRNLDOTK-UHFFFAOYSA-N 384.440 0.862 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)N2CCc3nc(C4CC4)nn3CC2)C1 2356145263 ISZVXAVRLJNUPW-GFCCVEGCSA-N 388.515 0.168 0 50 GCAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)COc2ccc3nncn3n2)C1 2356157379 IBKZTJIDWUHEHO-GOSISDBHSA-N 380.412 0.212 0 50 GCAA CCO[C@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1 5592946 ULBLUAFHNLHIND-AQGHMYMLSA-N 376.358 0.263 0 50 GCAA in-vitro N[C@@H](CCCCn1cccc2nc(NCCC[C@H](N)C(=O)O)nc1-2)C(=O)O 6093727 AYEKKSTZQYEZPU-RYUDHWBXSA-N 378.433 0.569 0 50 GCAA endogenous,in-man COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 16649507 XARXWBXDXFLLIZ-KBPBESRZSA-N 398.481 0.966 0 50 GCAA CCCn1c(=O)c2c(nc3n(CCCN4CCOCC4)c(C)cn23)n(C)c1=O 20062007 LLNPNTXIRQUIJP-UHFFFAOYSA-N 388.472 0.590 0 50 GCAA COc1cccc(-c2n[nH]cc2C(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)c1 91636967 ODMBFDJYVWYRPA-HZPDHXFCSA-N 388.468 0.690 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)c1 95376908 RGZVZZGGNXLVEU-INIZCTEOSA-N 391.424 0.656 0 50 GCAA COCCN1CCC[C@](O)(CN2CCCN(c3ccncc3C)CC2)C1=O 106733578 SNMXATFNNGZTAZ-FQEVSTJZSA-N 376.501 0.902 0 50 GCAA CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cn1 150908113 PKGSLSAMCCWIBL-INIZCTEOSA-N 375.404 0.642 0 50 GCAA CCOC(=O)CN(C)C1CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 170598766 HIBOGIOFDBMYBP-UHFFFAOYSA-N 382.424 0.792 0 50 GCAA Cn1cc(C[C@@H](CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(N)=O)cn1 170601259 WDWXBTOTYISHAM-HIFRSBDPSA-N 393.488 0.827 0 50 GCAA NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccncc3Cl)CC2)o1 174820460 BQOXBPMIZNEVAZ-UHFFFAOYSA-N 384.845 0.933 0 50 GCAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1 262407060 BPTBDHSVHQVVAC-PXAZEXFGSA-N 376.409 0.997 0 50 GCAA COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCNC(=O)C1)CC2 268728234 SAPZQUKTYMIEJT-UHFFFAOYSA-N 375.425 0.327 0 50 GCAA C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NC1CCS(=O)(=O)CC1 284918385 CJYQRIDERFCFPZ-DYVFJYSZSA-N 380.466 0.496 0 50 GCAA NS(=O)(=O)c1cccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)c1 299772580 CHXURHGPBDZRGN-OAHLLOKOSA-N 382.486 0.645 0 50 GCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)n1 328612033 NNKGXCDNJFKPKA-HNNXBMFYSA-N 379.398 0.496 0 50 GCAA Cc1nnnn1Cc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1 426438606 JXTGMWZYGVJOJO-UHFFFAOYSA-N 376.384 0.535 0 50 GCAA O=C(c1cncc(N2CCC[C@H](c3ccn(CCO)n3)C2)n1)N1CCOCC1 426538687 XHTPLUHCGATRTJ-HNNXBMFYSA-N 386.456 0.522 0 50 GCAA CN1CCN([C@H]2CN(C(=O)C3(N4CCCCC4)CCCCC3)C[C@@H]2O)CC1 952989495 NDDILXAGAZPKKC-OALUTQOASA-N 378.561 0.994 0 50 GCAA Cc1nc2ncc(C(=O)N3C[C@@H]4CC[C@H]3CN(c3ncccn3)C4)c(=O)n2[nH]1 1565528931 TXLIODSHZHWLOS-OLZOCXBDSA-N 380.412 0.257 0 50 GCAA COc1cc2c(cc1-c1nccn1CCS(=O)(=O)N1CCOCC1)OCO2 1857726675 BXENUKWXZFLMPD-UHFFFAOYSA-N 395.437 0.949 0 50 GCAA Cn1c(N2CC[C@H](NCc3cnn(C4CCOCC4)c3)C2)cc(=O)n(C)c1=O 1875397552 DMKRSIWQHXLOMO-HNNXBMFYSA-N 388.472 0.001 0 50 GCAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 7898891 MHZWAUVPZVXXKC-OAHLLOKOSA-N 384.454 0.716 0 50 GCAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1C(CO)(CO)CO 13477073 HEWAOASXDVEOMG-YHFFBGSDSA-N 379.412 0.594 0 50 GCAA Cn1ncc(N2CCN(C(=O)Cn3ccnc3-c3ccccc3)CC2)cc1=O 19145229 BMWBHLKQNJPWLD-UHFFFAOYSA-N 378.436 0.993 0 50 GCAA CC(=O)[C@H](C)n1c(CN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 20029243 JWFHZPWCTJXYPS-UTUOFQBUSA-N 377.445 0.193 0 50 GCAA COC(=O)[C@]1(CO)N[C@H](c2c(F)ccc(C)c2Cl)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65383568 OKMCADVMEMMHOK-YAMOITTJSA-N 384.791 0.567 0 50 GCAA CCCn1nccc1S(=O)(=O)N1CCC2(CC1)[C@H](C(=O)O)CC(=O)N2C 95378931 YBFHSRVKFZURSX-LBPRGKRZSA-N 384.458 0.379 0 50 GCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCN(c3ncccn3)CC2)on1 96150761 OEUSTLLSVHEJFL-WBVHZDCISA-N 386.456 0.269 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CN2CCOCC2)CN1Cc1ccc(C)o1 96151657 ICJIDHCTDJKWLF-RDJZCZTQSA-N 378.473 0.115 0 50 GCAA CSc1cccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 169772610 MFBJFPFNFZAGGD-UHFFFAOYSA-N 397.478 0.846 0 50 GCAA Cc1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)c2ncccc2c1 222640110 GBQBXCCVEVGAGY-KGLIPLIRSA-N 379.438 0.481 0 50 GCAA C[C@@H]1CCCC[C@H]1OCCN1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 262943425 NPZJHXNYPZMVMW-BZUAXINKSA-N 392.518 0.629 0 50 GCAA CN(C)C(=O)COc1ccccc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 265299121 FUEBIXUVRNCWBE-OAHLLOKOSA-N 385.424 0.422 0 50 GCAA COCCn1nnc2c1CCN(S(=O)(=O)c1cc(C)c(C(=O)O)s1)C2 414335326 GSVDQIDBZAQSFF-UHFFFAOYSA-N 386.455 0.740 0 50 GCAA O=C1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)CCN1CC(F)(F)F 416487307 KXMPXVFOMZGHGC-UHFFFAOYSA-N 379.316 0.929 0 50 GCAA CC(C)n1cc([C@@]2(O)CCN(CC(=O)Nc3ccc4nc(O)[nH]c4c3)C2)nn1 794087085 VSEAZBSLHGZALT-GOSISDBHSA-N 385.428 0.973 0 50 GCAA C[C@@H]1OCC[C@@]1(O)Cn1cnc2c(N3CC[C@@H](N(C)CCO)[C@H]3C)ncnc21 888097091 ABKCTCRILAZAAE-NXEZDXNNSA-N 390.488 0.258 0 50 GCAA O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCN(Cc3cccc(F)c3)CC2)C1 952867876 UTYUIYAGAGVPRL-MRXNPFEDSA-N 390.502 0.850 0 50 GCAA Cc1nccn1CCC(=O)N1CCC[C@@H](CNC(=O)Cn2ccccc2=O)C1 952968859 QHEWNWFUQVWRIB-KRWDZBQOSA-N 385.468 0.798 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1cn(C)c2ccccc12 1704336744 MPJFRHZVJCEOJE-GOEBONIOSA-N 379.482 0.743 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 1704338751 YTKQEZPOYYFIEE-QWRGUYRKSA-N 381.376 0.737 0 50 GCAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ncc[nH]1 1857683205 XTXONAJTOZZKQJ-INIZCTEOSA-N 375.473 0.489 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)c1ccc[nH]1 1857693544 BDXZIWQBWAYVLF-APHBMKBZSA-N 397.497 0.622 0 50 GCAA CN(C)CC(=O)N1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCO)C1 1875247251 HOUUFQMSQOZFHO-OAQYLSRUSA-N 389.544 0.968 0 50 GCAA O=C(Cn1cccnc1=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356170832 HYDSQBZJHSTWGC-FQEVSTJZSA-N 381.436 0.822 0 50 GCAA COc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c2ncnn32)cc(OC)c1OC 4742500 RWYRZMGDQDQYAC-JTQLQIEISA-N 385.380 0.928 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCO)C1 6701287 QQKAKXLUIHMEAO-LLVKDONJSA-N 376.862 0.858 0 50 GCAA CCN1CCC(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)CC1 91872160 ABGNBWVSWLMJEQ-UHFFFAOYSA-N 383.518 0.397 0 50 GCAA CN1CCC(O)(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)CC1 220149891 VTWXJPPEBCRVPD-KGLIPLIRSA-N 376.409 0.499 0 50 GCAA COc1ccccc1OC1CN(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)C1 584901089 TYYBWQNMBSIAAI-ZDUSSCGKSA-N 399.469 0.128 0 50 GCAA CN1CCC2(CC1)CN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)CCO2 1772811842 YQBIUGXDIYNIPW-UHFFFAOYSA-N 399.488 0.915 0 50 GCAA Nc1ncccc1CN1C[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@]2(CO)C1 1772814710 PDKYIMCVFSHQEK-HRAATJIYSA-N 396.447 0.959 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857696619 JNKATZGHKTXDBE-QRVBRYPASA-N 384.528 0.931 0 50 GCAA CC(C)c1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)nc(=N)[nH]1 1857720294 NTJBMVBFUGFQBU-IRXDYDNUSA-N 387.488 0.890 0 50 GCAA CN(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccccc1F 1875247757 RCQBLPCIZSZOHA-HUUCEWRRSA-N 380.445 0.705 0 50 GCAA Cn1ccnc1[C@]1(CNC(=O)c2ccc(OC(C)(C)C)cn2)NC(=O)NC1=O 1875273541 IBWRIWNZYHFLKL-SFHVURJKSA-N 386.412 0.457 0 50 GCAA COCCCn1cc(CCCOCC(=O)NCc2cncc(C(=O)O)c2)nn1 1875324634 GKQCDTLEAXGZFQ-UHFFFAOYSA-N 391.428 0.673 0 50 GCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)CCCn1nnc(-c2ccccc2)n1 2325735977 SDJRJBIXTCWBIJ-UHFFFAOYSA-N 391.413 0.334 0 50 GCAA O=C(NC1CN(C(=O)c2ccn(CC(F)(F)F)n2)C1)c1cnc2[nH]ccc2n1 2325876446 VXIBCCXXMKDTSA-UHFFFAOYSA-N 393.329 0.971 0 50 GCAA O=C(CSc1ccccc1O)N1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H](O)C1 2325878394 NXLKEDZGBGCKDY-UYAYXHRUSA-N 392.477 0.408 0 50 GCAA COC(=O)CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3nnnn3C)C2)cc1 2356148432 VYERJAMUGBVIGO-CQSZACIVSA-N 395.441 0.078 0 50 GCAA O=C(NCc1cccc2ncnn12)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 2356159823 RNELKRUTDMKARQ-HNNXBMFYSA-N 377.470 0.245 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1O)c1ccc2nn[nH]c2c1 2356163279 WHHJPRWAFHNNJO-JCURWCKSSA-N 397.439 0.230 0 50 GCAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCN3CCC[C@H]3C2)CC1 14953343 OXPQZEDIPNPWJQ-KRWDZBQOSA-N 375.521 0.992 0 50 GCAA CCO[C@@]1(C)O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O1 39946253 ULBLUAFHNLHIND-VTMBPIDISA-N 376.358 0.263 0 50 GCAA Cc1c(C(=O)NCc2cccnc2N2CCN(C)CC2)cnc2cc(=O)[nH]n12 67895393 GMVZTRPZEXLGLF-UHFFFAOYSA-N 381.440 0.408 0 50 GCAA CC(C)CC(=O)C(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77343077 XYXJXCXBSBPNMJ-CABCVRRESA-N 393.465 0.147 0 50 GCAA CCN1CC[C@]2(CCC1=O)CN(Cc1nc3c(cnn3C)c(=O)[nH]1)CCN2C 91680458 NDQRAELIGANAMS-LJQANCHMSA-N 387.488 0.175 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cc3c(cc1Cl)OCO3)CCN2CCO 95391185 DBQVGBFZBGYXEL-KGLIPLIRSA-N 388.873 0.344 0 50 GCAA COc1ccc(CC(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1 96164496 QRTQYOKUYOLTRQ-CXAGYDPISA-N 382.438 0.042 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C1=O 328611518 LXMNYJQGLPPGKL-LBPRGKRZSA-N 378.410 0.623 0 50 GCAA CCN(C1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1)S(=O)(=O)[C@H]1CCO[C@H]1C 330065462 DCBRYXXTISPZTP-OSRDXIQISA-N 396.531 0.007 0 50 GCAA Cc1ncccc1C(=O)NCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 952968769 NRHRCZQJLATHIJ-HNNXBMFYSA-N 387.440 0.347 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@@H](O)COc3ccccc3C)CC2)n2ncnc2n1 1506396150 IETCVTKTAORDJI-INIZCTEOSA-N 396.451 0.830 0 50 GCAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3CC2(CO)COC2)C1 1857532718 LSPOEQPYTCLGSL-CYBMUJFWSA-N 375.429 0.615 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](NC(=O)COC)C2)cs1 1857670757 YRCHPYQGMHGWEJ-GHMZBOCLSA-N 389.499 0.460 0 50 GCAA CC(C)(CO)NC(=O)c1cc2c(s1)CCOC21CCN(C(=O)CO)CC1 1857694905 ZJSOGOVFFSXCGZ-UHFFFAOYSA-N 382.482 0.632 0 50 GCAA COc1c[nH]c(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)cc1=O 1857738678 SWPXKDJKCAEKPK-ICSRJNTNSA-N 390.411 0.951 0 50 GCAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)CCc3c(C)nc(O)nc3C)[C@@H]2C1 1940195193 NUHLYUANRBPUHQ-NUEKZKHPSA-N 376.457 0.874 0 50 GCAA CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C[C@H]2Cc3ccccc3NC2=O)CC1 2325780886 WPPXODJFWTWEEH-AEFFLSMTSA-N 384.480 0.953 0 50 GCAA O=C(N[C@H]1COc2cccc(Br)c2C1)[C@H](O)C1(O)CCOCC1 2325781033 DUUWLGWAAAESAS-YGRLFVJLSA-N 386.242 0.771 0 50 GCAA O=C1CC[C@@H](N2C(=O)C=C(N3CCc4[nH]c5ccc(F)cc5c4C3)C2=O)C(=O)N1 2325900229 PWMOCFVTDYDRKY-OAHLLOKOSA-N 396.378 0.723 0 50 GCAA Cc1nnnn1CCC(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356139134 BQLYYHHXDOBOEA-BXWFABGCSA-N 390.488 0.659 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCCn2ccnc2)CC[C@H]1O)C1CCOCC1 2356151675 SYFDYWSPSQWEMY-GVDBMIGSSA-N 378.473 0.462 0 50 GCAA CN1CCN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 19800197 IPPCMPSBSOEUOY-UHFFFAOYSA-N 390.303 0.989 0 50 GCAA Cc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)[nH]1 31210110 QABNTVFFEQRNEE-UHFFFAOYSA-N 390.465 0.462 0 50 GCAA Cc1cc2n(n1)CCN(c1ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n1)C2 72419321 MANOJKZYHOOAJA-CYBMUJFWSA-N 376.486 0.872 0 50 GCAA Cc1nn(CC(=O)N2CCc3c(c(CO)nn3C)C2)c(=O)n1Cc1ccccc1 77457015 OLHDEUNFUGBDTP-UHFFFAOYSA-N 396.451 0.212 0 50 GCAA CCCn1ccnc1CN1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77470380 WDDXOMSFRYUTBR-LSDHHAIUSA-N 376.486 0.571 0 50 GCAA O=C([C@@H]1CCOC1)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77505668 DHYWWRVYBYEVQW-OAHLLOKOSA-N 380.466 0.629 0 50 GCAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 95496510 OJVANFIJQKQAIY-OAHLLOKOSA-N 390.465 0.742 0 50 GCAA Cc1ccn(CCC(=O)N2CCC(c3nnc(CN(C)CCO)n3C)CC2)n1 96161914 FXXVVTWWZFLNFD-UHFFFAOYSA-N 389.504 0.540 0 50 GCAA O=C1N[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc(C(=O)N3CCCC3)c1)C2 215693462 NOCGGITVNNHXEK-CABCVRRESA-N 377.466 0.822 0 50 GCAA Cc1ccnc(NCCNC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1 253477409 FOXITCSUUZSXDW-HOTGVXAUSA-N 375.473 0.003 0 50 GCAA O=C(O)C1CCC(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 262731634 AYGFJPVBSCOSOX-UHFFFAOYSA-N 389.456 0.523 0 50 GCAA N[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 269113126 LEUKYDAGPSNWMV-ZIAGYGMSSA-N 393.465 0.573 0 50 GCAA COC(=O)c1cn([C@@H]2CN[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)nn1 824220752 YOLVTWIMQAPQQU-HOTGVXAUSA-N 384.440 0.317 0 50 GCAA C[C@@H]1OCC[C@@]12CN(c1ncnc3c1ncn3C[C@]1(O)CCOC1)C[C@@H](C)O2 888097914 SYVRYSVAFSIGMV-GTYSZEQSSA-N 389.456 0.750 0 50 GCAA CCCn1cc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1 952971716 VBVCUYVKIRIGHK-UHFFFAOYSA-N 378.458 0.298 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1 1074625269 ZKLKOFSWHIXUFO-ORQFMDKSSA-N 379.482 0.624 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@@H]1O 1529113429 YVSXYDRAVSWCSG-ICSRJNTNSA-N 395.569 0.878 0 50 GCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)CN1CCc2ccccc2C1 1565506560 QIVMCNMREYVNJG-ROUUACIJSA-N 375.469 0.423 0 50 GCAA Cc1cc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)nc(C)n1 1565509836 MMYDHJWBDONBRT-CABCVRRESA-N 388.453 0.011 0 50 GCAA CN1CCN(C(=O)[C@@]23CCCCN2C[C@@H](NC(=O)[C@H]2CC[C@H](O)CC2)C3)CC1 1857685230 FAFPSUDFUSFHNC-NTLWEQJWSA-N 392.544 0.425 0 50 GCAA COc1cc(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc2ccccc12 1857721830 IBYISNGIJIIKKL-BLLLJJGKSA-N 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CCC(=O)N1CCN(Cc2ccc(-c3nnn[nH]3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 95522774 XRHFSTQNUAGHGN-LSDHHAIUSA-N 390.469 0.087 0 50 GCAA CNCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)c1 101740790 KYZVPQLHDJDCAO-QLPKVWCKSA-N 381.498 0.681 0 50 GCAA O=C(c1ccc(O)cc1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 212958222 GNJZYPNDXIJQMK-SJORKVTESA-N 375.425 0.760 0 50 GCAA Cc1cc(N2CCN(C(=O)NCc3nc(C(C)C)no3)CC2)n2ncnc2n1 426412296 OIKYLVUFQSGBFM-UHFFFAOYSA-N 385.432 0.971 0 50 GCAA N=c1nn[nH]n1CC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 426510067 IWIAMKGYZXYHPS-IBGZPJMESA-N 389.504 0.897 0 50 GCAA NC(=O)C1CCN(CC(=O)N2CCC(C(=O)NCc3ccco3)CC2)CC1 827758185 RVSAYSQWILBDGQ-UHFFFAOYSA-N 376.457 0.332 0 50 GCAA CN(C)CCN1C[C@H](C(=O)NC2CCN(Cc3cccc(O)c3)CC2)CC1=O 952872593 PNGRGNWEVKJJQL-QGZVFWFLSA-N 388.512 0.883 0 50 GCAA O=C(C1CCOCC1)N1C[C@@H]2CN(CCn3cc(Cl)cn3)C[C@]2(CO)C1 1772710339 QCFXKIIYANIYSH-MAUKXSAKSA-N 382.892 0.716 0 50 GCAA Cn1nc(C(F)(F)F)nc1-n1nc(CC(N)=O)nc1[C@H]1CCn2nccc2C1 1857677777 CTLZYZXVLYDVOC-QMMMGPOBSA-N 395.349 0.369 0 50 GCAA CCCN1CCOC2(CCN(C(=O)CN3CCCN(C)CC3)CC2)CC1=O 1857692100 OJVIHQHQDLSEOT-UHFFFAOYSA-N 380.533 0.644 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)s1 1857708810 OIZXBFPJXGKDKC-SNVBAGLBSA-N 390.469 0.956 0 50 GCAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(N4CCOCC4)CC3)CC2=O)s1 1857710884 VWUJOSZHTOAMNE-ZDUSSCGKSA-N 379.486 0.523 0 50 GCAA C[C@H]1CN(C(=O)C(=O)N(C)CC(=O)N2CCCC2)CCN1c1ccccc1F 1875267173 CPSLYAWSQXHXQZ-HNNXBMFYSA-N 390.459 0.944 0 50 GCAA CC(=O)N[C@H](C(=O)N1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 1875300691 NUVLRAQMTGHCCT-MOPGFXCFSA-N 375.469 0.814 0 50 GCAA O=C(C[C@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C2(CCC2)CO1)N1CC(O)C1 2325785452 ZDHPJUXKZDKQAV-INIZCTEOSA-N 398.463 0.849 0 50 GCAA CN(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[C@H]1OCCc2ccsc21 2332237986 SXILSIIAVKDJSS-JHJVBQTASA-N 386.495 0.370 0 50 GCAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCO[C@H](c4nnnn4C)C3)cc2n1 2356151406 HDZYZTFCKFDLNR-JTQLQIEISA-N 396.333 0.794 0 50 GCAA Cc1cc(NC(=O)CN2CCC[C@@](O)(CNC(=O)N3CCCC3)CC2)no1 72137369 XNJWFQKFIVIDQL-SFHVURJKSA-N 379.461 0.944 0 50 GCAA O=C([C@@H]1COCCO1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72417878 OKDCXGIWJQBNQX-HNNXBMFYSA-N 375.381 0.961 0 50 GCAA CC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2ccccc2-c2nnn[nH]2)CC1 72436003 ITBUYPOTZXPMFN-SJORKVTESA-N 383.456 0.728 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CSC)CN1Cc1ccc2c(c1)OCO2 95365557 NOSULEYYLOIDOY-KBPBESRZSA-N 379.482 0.974 0 50 GCAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCn1nnnc1CN1CCOCC1 95497544 FUIVOYVNMILJKF-LBPRGKRZSA-N 376.465 0.123 0 50 GCAA Cc1ccc([C@@H]2CN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C[C@H]2N(C)C)cc1 95528950 HVMCFHILSDUMGM-UONOGXRCSA-N 378.454 0.090 0 50 GCAA COCC(=O)N1CCC[C@@H](c2nc(CC(N)=O)nn2-c2cccc(F)c2)C1 96149572 BBTXLHYDCFMKAG-GFCCVEGCSA-N 375.404 0.787 0 50 GCAA COCCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 215941029 IOVLMTPOCMAPQN-DOTOQJQBSA-N 381.498 0.778 0 50 GCAA Cc1cc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3O)CC2)nc(N)n1 222817458 FBDKWPXKOSGBBI-UHFFFAOYSA-N 381.400 0.011 0 50 GCAA C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)C1 253407696 ICJAFMYWLITWHL-YTQUADARSA-N 388.512 0.321 0 50 GCAA CN1CCN(c2cc(C(=O)N3CCC(Nc4cccnn4)CC3)ccn2)CC1 372626762 ZYKFMARMDCIEKP-UHFFFAOYSA-N 381.484 1.340 0 50 GCAA CCn1nc(C)c(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CCN)C(=O)[C@@H]24)O3)c1C 426380644 PCBHMKMMMZXMNY-GGXPGOJBSA-N 375.473 0.101 0 50 GCAA CN(C)c1nc(N)nc(CNC(=O)CCc2nc(-c3ccccc3F)no2)n1 426434452 JVUKKARUODJLKO-UHFFFAOYSA-N 386.391 0.958 0 50 GCAA C[C@@H]1OCC[C@]12CN(C(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](C)O2 447981945 HNCXDEPLADKSLS-WWGRRREGSA-N 375.491 0.388 0 50 GCAA COc1cc2c(cc1OC)C1(CCN(C(=O)CNS(C)(=O)=O)CC1)OCC2 1704345032 TYBADGKGCLEAGZ-UHFFFAOYSA-N 398.481 0.643 0 50 GCAA CN(C)C[C@@]12CN(Cc3nccs3)C[C@@H]1CN(C(=O)CN1CCOCC1)C2 1772806918 MEOUCDYAGUXKTB-APWZRJJASA-N 393.557 0.297 0 50 GCAA Cc1nn[nH]c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857681460 KDZGHUYCKDVGHB-LJQANCHMSA-N 399.455 0.566 0 50 GCAA 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375582704 HBKSMGNUGKNKON-KRWDZBQOSA-N 399.421 0.440 0 50 GCAA Cn1nc(C(=O)N2CCC3(CC2)CN([C@H]2CCSC2)CCO3)ccc1=O 828150469 SXOSFMBRMXSTMN-AWEZNQCLSA-N 378.498 0.593 0 50 GCAA O=C1CCC(C(=O)N2CCC[C@@H](CNC(=O)c3cn4ccsc4n3)C2)=NN1 952970042 PRKXLBBBHBURKF-NSHDSACASA-N 388.453 0.630 0 50 GCAA CNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(S(N)(=O)=O)s1 1466866153 JSGDUTJDSKPIKE-CYBMUJFWSA-N 381.479 0.412 0 50 GCAA Cc1ccn2c(F)c(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)nc2c1 1704340123 OHDBMGWBECKUDY-RYUDHWBXSA-N 384.433 0.418 0 50 GCAA O=C(O)c1cnc(N2C[C@@H]3CN(Cc4nc5ccccc5[nH]4)C[C@]3(CO)C2)cn1 1772817338 CHDVYTGZQXWRTP-RNODOKPDSA-N 394.435 0.982 0 50 GCAA Cc1nc(CNC(=O)[C@@]23CCCN(C(=O)c4ccc[nH]4)[C@H]2CN(C)CC3)no1 1775981701 CXSYZZLZNRYINJ-HNAYVOBHSA-N 386.456 0.949 0 50 GCAA O=C(CN1CCC[C@@H](C(=O)NCCN=c2cccn[nH]2)C1)Nc1ccccc1 1875258970 VNWDTSPPAZVDTK-MRXNPFEDSA-N 382.468 0.777 0 50 GCAA COC(=O)C1(C)CN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)C1 1875269001 MKYYGDVQRJJOCN-STQMWFEESA-N 375.429 0.471 0 50 GCAA OCC1(Cn2cnc3c(N4CCC[C@H](c5nn[nH]n5)C4)ncnc32)CCOCC1 1875269350 ZKKNNUORGNTXKY-ZDUSSCGKSA-N 399.459 0.513 0 50 GCAA CO[C@@H]1CN(c2cc[nH]c(=NCCc3cn4c(n3)CCCC4)n2)C[C@@H]1N(C)C 1875398190 FZTDEYCESDEKQB-DLBZAZTESA-N 385.516 0.851 0 50 GCAA CN1CCC(C(=O)N[C@H]2CC[C@H](C(=O)NCCc3ncc[nH]3)C[C@@H]2O)CC1 2100555651 ZZQDTTWCATVNOU-JYJNAYRXSA-N 377.489 0.056 0 50 GCAA CCC[C@]1(C(=O)O)CCN(C(=O)c2sccc2S(N)(=O)=O)C[C@@H]1O 2100556908 VHLHWWCEIFKXGZ-HZMBPMFUSA-N 376.456 0.473 0 50 GCAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@@H]1COC(C)(C)O1 2325874435 MREPEVIFKRMLCC-OWCLPIDISA-N 376.409 0.881 0 50 GCAA CCC[C@@H](NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895804 KHMCZQDWOFAFIB-ZIAGYGMSSA-N 387.392 0.431 0 50 GCAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)CN2C1=O 14740595 CWGRXEUMYCWZHK-WHOFXGATSA-N 375.473 0.571 0 50 GCAA Cc1nc(CCNC(=O)Cn2nnnc2CN2C[C@H](C)O[C@H](C)C2)sc1C 15065622 LPLHUAVBMQDWHG-TXEJJXNPSA-N 393.517 0.715 0 50 GCAA COc1ccc(N2C(=O)C[C@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 18123316 NTJIUANECCEGKP-INIZCTEOSA-N 389.433 0.764 0 50 GCAA CC(=O)N[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1 77303584 HRSYHVOFLZIOKN-ZDUSSCGKSA-N 379.482 0.880 0 50 GCAA O=C1CN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)CCN1 77428437 QRNLLXOUJIZRHD-FORWCCJISA-N 385.395 0.066 0 50 GCAA CCCN1CCN(C(=O)c2c(C)nc3ncccn23)[C@H]2CS(=O)(=O)C[C@H]21 77472162 XBSFOWNJCLXPHY-KGLIPLIRSA-N 377.470 0.371 0 50 GCAA CN1CCN(C[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2CO)CC1 95391289 LMQRJBUUJFLKSG-IAGOWNOFSA-N 385.512 0.810 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1nnc(-c3cccnc3)o1)C2 95504885 XHZPDSQSXACVIR-LSDHHAIUSA-N 384.440 0.643 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCCN1C)CC2 95531198 WRGUXGHWHXIMKT-INIZCTEOSA-N 389.500 0.743 0 50 GCAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)C1 229805856 NXVUAHQGVJBXSZ-CABCVRRESA-N 395.481 0.671 0 50 GCAA Cc1nc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)nn1-c1nnc[nH]1 264061501 WCKABIVDZJEJDU-INIZCTEOSA-N 380.456 0.988 0 50 GCAA C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 264187787 RBYSGRARXBPVOU-NVXWUHKLSA-N 393.509 0.413 0 50 GCAA O=C1CN(c2ccnc(C(=O)N[C@H](CO)C[C@H](O)c3ccccc3)c2)CCN1 276192107 CRATWEBJGIZKBG-YJBOKZPZSA-N 384.436 0.232 0 50 GCAA Cc1cc(C)n(CCC(=O)N2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)n1 299770274 QVZVJLWUESIEBA-GDBMZVCRSA-N 375.429 0.578 0 50 GCAA CCN1CCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)C[C@@H]1c1ncc[nH]1 328629107 OJIYQGBHZIKORP-OAHLLOKOSA-N 377.470 0.837 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)CCc3c(C)nc4ncnn4c3C)C[C@@H]2O)n[nH]1 1529089820 BQGNJLZZJOHYMA-PBHICJAKSA-N 383.456 0.767 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3ccccc3-c3nn[nH]n3)CC(=O)N21 1857697667 HKDKJLCMDABQRE-CQDKDKBSSA-N 398.423 0.491 0 50 GCAA O=C1CCN(c2ccccc2C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)C(=O)N1 1857717834 ANRODYRPECQFIU-CXAGYDPISA-N 395.419 0.599 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)NCc1cnc(C)cc1C)C2 1875395735 KLHOTCGBLKNQEQ-CQSZACIVSA-N 380.470 0.143 0 50 GCAA Cc1cc(=NC(=O)N2CCO[C@@H](CNS(C)(=O)=O)C2)[nH]n1[C@H](C)C1CC1 2325828473 ICZJLBFJAZLIAK-OCCSQVGLSA-N 385.490 0.366 0 50 GCAA COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC 1069191 ZUYTTYUIYJTSQZ-UHFFFAOYSA-N 399.469 0.039 0 50 GCAA O=C1N[C@@H](CO)C(=O)N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]12 14742574 QWUGKOLXCIVAQH-GOEBONIOSA-N 389.843 0.029 0 50 GCAA Cc1nc(CN(C)C(=O)Cn2nnnc2CN2C[C@H](C)O[C@H](C)C2)cs1 14961978 HTUYXBMXHONLLI-TXEJJXNPSA-N 379.490 0.706 0 50 GCAA CCOC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC 19720450 XETGLXGCEXIZGI-HNNXBMFYSA-N 377.441 0.407 0 50 GCAA O=C1c2ccccc2C(=O)N1CCc1nn2c(CN3CCOCC3)nnc2s1 39389178 NSMJMMVTXZQCEO-UHFFFAOYSA-N 398.448 0.857 0 50 GCAA COc1ccc2[nH]c(=O)c(CN3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)cc2c1 72419261 IZGPUPHVYQNDHC-SJORKVTESA-N 377.466 0.450 0 50 GCAA CNC1CCN(C(=O)c2cccc(S(=O)(=O)N3CC[C@H](OC)C3)c2)CC1 215097211 ORASBBHGEDNOSN-INIZCTEOSA-N 381.498 0.920 0 50 GCAA Cn1cc([C@@H]2CCCN2CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cn1 225540887 SDCMXAHSNVOBIZ-INIZCTEOSA-N 389.481 0.794 0 50 GCAA COC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)O 258329526 AQDNMXGBKPHQBA-UHFFFAOYSA-N 396.433 0.124 0 50 GCAA CCc1cc(N2CCN(S(=O)(=O)c3ccc(C(=O)NC)cc3)CC2)ncn1 1506396480 BGAKDUUICXRPRP-UHFFFAOYSA-N 389.481 0.910 0 50 GCAA COC[C@@H](NC(=O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)c1ccnn1C 1506402965 QLVIJZMNQKWADO-CYBMUJFWSA-N 385.428 0.076 0 50 GCAA Cn1nc(C(=O)O)c2c1CCN(CC(=O)Nc1nnc([C@@H]3CCCO3)s1)C2 1529154259 ZYTINVCAMMABGV-NSHDSACASA-N 392.441 0.818 0 50 GCAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CN3CCOC3=O)C1)CC2 1857706096 JWHQLBQIJGWZBA-SFHVURJKSA-N 375.429 0.507 0 50 GCAA CS(=O)(=O)NCC[C@H]1COCCN1Cc1cnc(N2CCCCC2)nc1 1857728919 FRCIMNULLVXTAE-INIZCTEOSA-N 383.518 0.607 0 50 GCAA COc1cccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1OC 1857733891 DMZUPTBTUMRMBL-ILXRZTDVSA-N 391.468 0.754 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)N2CCN(CCO)CC2)CC[C@H]1NC(=O)c1cc[nH]c1 1875243765 WIOBJORYOZWOIM-USXIJHARSA-N 378.473 0.065 0 50 GCAA Cc1nn(C)c(C(=O)NC[C@@H](NC(=O)C2(NC(N)=O)CC2)C2CC2)c1Cl 2325851179 RFYJKRDBYQJWRF-SNVBAGLBSA-N 382.852 0.207 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NCC[C@H]4CCCNC4)cccc3C2=O)C(=O)N1 2325896084 QTODTHWMARHKDO-CXAGYDPISA-N 398.463 0.567 0 50 GCAA CN(Cc1nc(-c2ccccc2)no1)C1=CC(=O)N([C@H]2CCC(=O)NC2=O)C1=O 2325900023 IFNIOAQZFPUEQI-LBPRGKRZSA-N 395.375 0.226 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCNC(=O)C3(C)C)C2=O)c1 12438955 WNONEKDFCWDLPW-HXUWFJFHSA-N 393.459 0.898 0 50 GCAA COc1cc(CN2CCNC(=O)C2)ccc1OC[C@@H](O)CN1CCSCC1 12439381 AXJMBUKJFBWNNB-INIZCTEOSA-N 395.525 0.416 0 50 GCAA CN(CCO)Cc1cc2n(n1)CCCN(C(=O)Cn1nc3ccccc3n1)C2 72433780 FBMHDCZIUJVKHQ-UHFFFAOYSA-N 383.456 0.484 0 50 GCAA O=C([C@H]1CCCO1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77379770 UACSPRSEQVQTHU-MRXNPFEDSA-N 380.466 0.771 0 50 GCAA NC(=O)CN1CCC(NC(=O)c2cnc(COc3ccccc3)nc2O)CC1 92066200 WBIYMUPMWHVBFG-UHFFFAOYSA-N 385.424 0.441 0 50 GCAA COc1ccc2c(=O)n(CC(=O)N(C)C[C@@H]3COCCO3)ccc2c1OC 95519151 GUNWIMBDTIVHOQ-CYBMUJFWSA-N 376.409 0.893 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCCCO1)CC2 95521553 KMHVTZMNXUVLEX-OAHLLOKOSA-N 376.457 0.828 0 50 GCAA Cc1cc(NC(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1N1CCCC1=O 97360074 AQMFNSBOQJDKSM-HUUCEWRRSA-N 381.454 0.743 0 50 GCAA CCCN1Cc2cccc(NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2C1 181074408 QEJDJUNULZWPJR-UHFFFAOYSA-N 378.454 0.610 0 50 GCAA Cc1cnc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCNC3)c2)cn1 215885180 XNECWVXKTBQHIB-AWEZNQCLSA-N 375.454 0.355 0 50 GCAA CCCN1C(=O)N[C@H](CC(=O)N2CCC(c3cc(O)nc(C)n3)CC2)C1=O 220176471 WYYOBYFDJWIKMZ-CQSZACIVSA-N 375.429 0.917 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 220680964 ISERKATUGBXQIQ-BETUJISGSA-N 378.454 0.316 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CCc2nc3ccccc3nc2O)C1 244764141 PCACOWGPHGMHOH-HAQNSBGRSA-N 382.424 0.951 0 50 GCAA O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCCCN1CCOCC1 334161996 LYMNWBKTYCYRSQ-MRXNPFEDSA-N 392.431 0.475 0 50 GCAA Cc1nn2ncccc2c1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857683984 UEEYXBUSNVURIZ-WMZOPIPTSA-N 383.456 0.915 0 50 GCAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2ccnn2)C1 1857696098 MOKKZYZEABJKEC-WSTZPKSXSA-N 390.532 0.607 0 50 GCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1coc(CN2CCOCC2)c1 1857716531 CKTRVJMVJWBPLW-IKGGRYGDSA-N 379.457 0.066 0 50 GCAA Cc1cc(C(=O)N2CCC(CN(C)C(=O)[C@H]3CC(=O)NC3(C)C)CC2)n(C)n1 1875361082 PGFVTTHKZCBYDF-OAHLLOKOSA-N 389.500 0.954 0 50 GCAA CC(C)[C@H](NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4545847 FVGOGEGGQLNZGH-YCPHGPKFSA-N 393.440 0.131 0 50 GCAA biogenic COC(=O)c1ccc(NC(=O)CSc2nc(O)c(NC(C)=O)c(=O)[nH]2)cc1 10034969 RJZNPCGFXWFHHS-UHFFFAOYSA-N 392.393 0.951 0 50 GCAA COC[C@@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)CN1C(=O)CNC1=O 55243961 AJVPVEWSZZILDY-GFCCVEGCSA-N 379.413 0.619 0 50 GCAA CN1CCN(c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cn2)CC1 67515529 SCSDFZKHBJVJOM-UHFFFAOYSA-N 381.484 0.976 0 50 GCAA O=C1NCCN1CCNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67654515 LRIUKEPCWXFJPE-SFHVURJKSA-N 382.411 0.433 0 50 GCAA CCCNC(=O)CNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71751450 DFDVMILPRKCRNA-AWEZNQCLSA-N 376.457 0.618 0 50 GCAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4c[nH]c(=O)[nH]4)C3)CCC2=O)cn1 91595775 ZXZKGYOIJUZMKL-IBGZPJMESA-N 384.440 0.846 0 50 GCAA CC(C)(C)n1cc(CN2CCN(C(=O)NCCN3CCOCC3)CC2)cn1 114015787 PIKQFAINWAFNQA-UHFFFAOYSA-N 378.521 0.798 0 50 GCAA COc1cc(C(=O)O)ccc1CCNC(=O)CCn1nc2ccccn2c1=O 263328161 LGBSTQJUVXPXOT-UHFFFAOYSA-N 384.392 0.952 0 50 GCAA C[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CCN1c1nccn2cnnc12 269419703 XFUOGRNPPCCTGJ-QWHCGFSZSA-N 383.412 0.573 0 50 GCAA Cn1nnnc1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 283501593 DOQJZNFGJIQYJE-OKILXGFUSA-N 381.396 0.418 0 50 GCAA CCC(CC)c1nnc(NC(=O)N2CCN(S(=O)(=O)NC)CC2)s1 331228493 FJEPYXNVCXGJMP-UHFFFAOYSA-N 376.508 1.055 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)c3onc4c3CCCC4)C[C@@H]2CO)CC1 426674093 LEPSHNSHYPWBAT-HZPDHXFCSA-N 376.501 0.871 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)Nc2cccc(-n4cccn4)c2)[C@@H]3C1=O 952973895 YPWYMKUICKMONG-LJCCNALRSA-N 381.436 0.776 0 50 GCAA Cc1csc(SCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2NS(C)(=O)=O)n1 1565507532 CNRUSZKSKFVGDH-IELRGYKMSA-N 377.513 0.365 0 50 GCAA COCCn1nc(CC(N)=O)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857675167 MPBXBIVAOYMGJF-ZDUSSCGKSA-N 399.455 0.948 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC12CCOCC2 1857683188 FMXQGTFJKAYTOQ-UHFFFAOYSA-N 381.454 0.503 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NCCN(C)C)n2)cc1OC 1857688333 DIXBRSNYYPEPPO-CYBMUJFWSA-N 390.488 0.584 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)CCc1cccnc1 1857690901 UEHBXXGOVGMYKT-GVDBMIGSSA-N 388.468 0.273 0 50 GCAA COCCN=c1[nH]c2cc(C(=O)N3CCOC[C@H](C(=O)O)C3)ccc2n1C 1857693559 BQEYDOUITYYZCP-CYBMUJFWSA-N 376.413 0.227 0 50 GCAA Cc1ncc(CN2CC(NC(=O)N3CCCN(Cc4cnn(C)c4)CC3)C2)o1 1875323993 XQKSWZBXWPNCDF-UHFFFAOYSA-N 387.488 0.818 0 50 GCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc(N(C)C)n3C)C2)n1 1875397263 SMERWUZVZXIYBV-CQSZACIVSA-N 386.504 0.621 0 50 GCAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1C[C@H](C(=O)NCC(C)C)C[C@H]1O 2100482943 HZHAXDGOJSAFTD-NUEKZKHPSA-N 378.473 0.760 0 50 GCAA Cc1nonc1CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 2100540747 OOEZXGPVZQCFJN-APHBMKBZSA-N 388.428 0.356 0 50 GCAA COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 2928525 XMYVIEOBSCJAPM-UHFFFAOYSA-N 395.437 0.863 0 50 GCAA aggregator O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 12431705 IZNPUCKWIPCYGJ-INIZCTEOSA-N 388.468 0.697 0 50 GCAA CO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CC1 25758680 SYHSDOOWPNQIAY-SNVBAGLBSA-N 390.845 0.906 0 50 GCAA CCC[C@@]1(C2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)NC(=O)NC1=O 67434092 IBIZKURIUGJCPL-KRWDZBQOSA-N 385.486 0.428 0 50 GCAA CC(C)N1CCN(CCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1 77320143 SAPPDBPPTXCGMU-UHFFFAOYSA-N 381.521 0.175 0 50 GCAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c(OC)c1 95362360 HOLYFMKOMXEIBG-HZPDHXFCSA-N 377.485 0.632 0 50 GCAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c(OC)n1 95380115 XYTYJVRXGFITBJ-HUUCEWRRSA-N 378.473 0.027 0 50 GCAA Cc1nn(C)cc1C(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96139113 BGJFDVKEJVDVCP-UHFFFAOYSA-N 387.488 0.709 0 50 GCAA CCCn1ncc(C(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)c1C 97635006 CKJPJSYQRKSCIQ-UGSOOPFHSA-N 377.445 0.742 0 50 GCAA CCCOc1c(CNC(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cccc1OC 534633462 ULXBSNMPRTUNNZ-LSDHHAIUSA-N 397.497 0.764 0 50 GCAA OCC1(Cn2cnc3c(N4CCN5CCOC[C@H]5C4)ncnc32)CCOCC1 888097838 QIONHRJCRFNEDS-OAHLLOKOSA-N 388.472 0.136 0 50 GCAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1345756923 IXWOKNVWTHWWGP-ZDUSSCGKSA-N 395.485 0.004 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1nc2ccccc2[nH]1 1565526445 YHFSMLKVUOPKNG-JXKQKZCASA-N 378.454 0.317 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1c(F)cccc1F 1704338647 WWTHFINIKALUAZ-CABZTGNLSA-N 384.426 0.150 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1704338828 GXUCTHBXBSHOIM-FRRDWIJNSA-N 395.481 0.672 0 50 GCAA Cn1cc(Cl)c(C(=O)N2CCCN(C(=O)CCCn3cncn3)CC2)n1 1704344437 QENMFSUTRFIJAN-UHFFFAOYSA-N 379.852 0.820 0 50 GCAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)CCCCC2)o1 1857526915 NPOMQXHUBDDSFG-GXTWGEPZSA-N 399.465 0.520 0 50 GCAA CCc1cccc(CNC(=O)N2CC3(C2)[C@H](C(=O)NC)CCS3(=O)=O)c1 1857528365 IPRJICZKCQZPLL-HNNXBMFYSA-N 379.482 0.694 0 50 GCAA CN1C(=O)NCC12CN(C(=O)[C@H]1CC(=O)N(c3nc4ccccc4s3)C1)C2 1857713339 VPBBLBYJIRNPIS-NSHDSACASA-N 385.449 0.885 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2c[nH]c(=O)cn2)cn1 1857734972 AQLQFAIKUKTTMS-WMZOPIPTSA-N 386.456 0.572 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cn(C)nc2C)cc1OC 2100545031 FRFYQYLTONJPAB-MSOLQXFVSA-N 388.424 0.618 0 50 GCAA CCOc1cc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1O 2325711548 ZEGHCXBSXFMWQT-MRXNPFEDSA-N 391.468 0.588 0 50 GCAA CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CC3(C)C)[C@@H]2C1 2325793196 KJRKCGZWYMRIAB-RRFJBIMHSA-N 385.530 0.763 0 50 GCAA CCC[C@@]1(CO)CN(C(=O)CNS(=O)(=O)c2cccs2)CC[C@@H]1O 2356169154 MVEMJDBQZVTVKC-WFASDCNBSA-N 376.500 0.398 0 50 GCAA COc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)c1 35800911 NZEQQNXRFVKSGA-MRXNPFEDSA-N 377.441 0.966 0 50 GCAA CC(C)NC(=O)CNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712163 DCIIEPWJXLPXMH-CQSZACIVSA-N 376.457 0.617 0 50 GCAA CC[C@@H](C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1)N1CCOCC1 71767718 VFMKYYXYLNRVET-INIZCTEOSA-N 376.505 0.604 0 50 GCAA Cn1ccnc1SCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 71767720 BGTZKZSLSPJJJJ-CQSZACIVSA-N 377.470 0.612 0 50 GCAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)CN3CCCN(C)CC3)C2)n1C 77517845 OHCGNTVHDHZGOJ-MRXNPFEDSA-N 377.537 0.220 0 50 GCAA CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)CN1C1CCOCC1 95526775 WEFVRADVUHRGMG-CJNGLKHVSA-N 376.457 0.251 0 50 GCAA C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 225669959 BXJBJYHNQZSCMC-LLVKDONJSA-N 398.876 0.792 0 50 GCAA Cc1cccc(=O)n1CCC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 426518011 YWVXVFYORVZIER-UHFFFAOYSA-N 382.486 0.032 0 50 GCAA COCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 670443603 VYRVSTROUASKGJ-AWEZNQCLSA-N 390.527 0.727 0 50 GCAA Cc1c[nH]ccc1=NCCNC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 827968255 IGLXXDUXTYKTBX-UHFFFAOYSA-N 398.463 0.891 0 50 GCAA C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H](C)c1nccc(N)n1)c1nccc(N)n1 864096993 GXMMBDLAWVJRMM-YUMQZZPRSA-N 380.359 0.121 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COc1ccc(Cl)cc1 1704300704 UUHLBAZIMBUCEC-SMDDNHRTSA-N 376.862 0.741 0 50 GCAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CC[C@]4(CNC(=O)CO4)C3)cc12 1772815723 ZCEIZGFAMYQQEV-KRWDZBQOSA-N 377.422 0.528 0 50 GCAA Cn1ccnc1[C@@]1(CNC(=O)c2cc(-c3ccccc3)[nH]n2)NC(=O)NC1=O 1775985509 DJDNWUVIYVSIHI-GOSISDBHSA-N 379.380 0.275 0 50 GCAA Cc1nn[nH]c1C(=O)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857681459 KDZGHUYCKDVGHB-IBGZPJMESA-N 399.455 0.566 0 50 GCAA COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCc2ccnn2C)c(OC)n1 1857681789 ATMFUEKKHMHVRK-HOTGVXAUSA-N 399.451 0.890 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)CCn1c(O)nc2ccccc21 1857684900 JOYGDMCFPNAJKO-FVCICTRLSA-N 392.481 0.918 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N(C)Cc3noc(C)n3)CC2=O)s1 1857718058 MBFUMGFPNPDNEA-SNVBAGLBSA-N 380.430 0.778 0 50 GCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)Cc3cn4ccsc4n3)CC(=O)N21 1857730955 DZPBNYSNPNPLSF-IHRRRGAJSA-N 390.465 0.949 0 50 GCAA COCc1nnc(N2C[C@H](C(=O)N3CCC(c4nc[nH]n4)CC3)CC2=O)s1 1857734446 SKUKNZPCECRVPF-LLVKDONJSA-N 391.457 0.562 0 50 GCAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)Cn1nc(C)c2ccccc2c1=O 1875244853 XFJKPJZBPSENPC-UHFFFAOYSA-N 379.384 0.659 0 50 GCAA O=C1CN(C(=O)c2cn3c(n2)CCN(CCc2ccccc2)CC3)CCCN1 1940196644 XMWRCKCIVLBKNH-UHFFFAOYSA-N 381.480 0.946 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356165066 RLOKTRXAWPWLDD-SFHVURJKSA-N 379.482 0.719 0 50 GCAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12 1088002 QCEFHZFZNHMHFC-UHFFFAOYSA-N 376.438 0.693 0 50 GCAA Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1CCO 9420341 ADEZJRPXVFBNJQ-UHFFFAOYSA-N 388.472 0.244 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCO2)cc1OC 13595431 UOMIOWZWSZBSHB-OAHLLOKOSA-N 377.441 0.948 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(Cc2ccccn2)CC1 23214265 FGLKZYVBAXZTEO-GOSISDBHSA-N 387.528 0.962 0 50 GCAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)C1 55104310 BBOLUDBSFXJSNO-NSHDSACASA-N 395.437 0.191 0 50 GCAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)nc2c1CCC2 63832315 OHKLLZUQGQWFKI-SFHVURJKSA-N 397.479 0.916 0 50 GCAA CCc1nn(C)c(Cl)c1CN1CCOC[C@H]1CC(=O)N1CCNC(=O)C1 72476158 YXBHYIRWYKJKNE-GFCCVEGCSA-N 383.880 0.185 0 50 GCAA CC(C)[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95368453 UQRCPNKDLODISR-LSDHHAIUSA-N 379.490 0.519 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CNC(=O)C(C)C)CC2 95523324 LLVCFZOXMQOKNL-UHFFFAOYSA-N 391.472 0.031 0 50 GCAA CC(C)NC(=O)CN1CCN(c2cc(C3CC(N)C3)nc(N(C)C)n2)CC1 222776289 SSCBLQDYSBNCIT-UHFFFAOYSA-N 375.521 0.394 0 50 GCAA CCc1ccc(-n2cnnc2)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1 426431404 UAJXKXLQTCLMNE-UHFFFAOYSA-N 378.458 0.939 0 50 GCAA O=C(c1cc(O)nc(O)n1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 426503241 IASNJLVYWLTQLI-IBGZPJMESA-N 383.408 0.938 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2nn(C)c3cccc(Cl)c23)C[C@H]1O 1529182741 YYQWGGWXXPYCFS-XHDPSFHLSA-N 386.905 0.911 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)COc2cccc(Cl)c2)C[C@@H]1O 1615730502 LHCFFDKCRBZHNH-RISCZKNCSA-N 376.862 0.430 0 50 GCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1csc(-c2ncccn2)n1 1857683834 ZXEOAXKNJCZEAN-AGIUHOORSA-N 375.454 0.554 0 50 GCAA Cc1nc(CN2CCOC3(CCN(CCS(C)(=O)=O)CC3)CC2=O)no1 1857686099 HTZYXWWCMCPIFP-UHFFFAOYSA-N 386.474 0.006 0 50 GCAA COc1ccccc1-c1nnc2n1C[C@@]1(CCN(C(=O)CNC(C)=O)C1)OC2 1857698727 GFVAYJKUHBULHO-IBGZPJMESA-N 385.424 0.591 0 50 GCAA COc1ccccc1Cn1nc(CC(N)=O)nc1[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857737758 BLYVEWDUSKXDKN-YSVLISHTSA-N 385.468 0.987 0 50 GCAA CN(C)c1nccc2c1CN(c1cnc(C(=O)N3C[C@@H]4CNC[C@@H]4C3)cn1)CC2 1875405913 RJRRHSAZGAGTJV-IYBDPMFKSA-N 393.495 0.792 0 50 GCAA COc1ccnc(N[C@@H]2C[C@@H](C(=O)NCCCn3ccnn3)CC[C@H]2OC)n1 2356160531 WTOKDWMDQWUXGK-RRFJBIMHSA-N 389.460 0.879 0 50 GCAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1C 10301385 AZAFSUJUSYECFG-UHFFFAOYSA-N 397.497 0.738 0 50 GCAA Cn1ncc(N2CCN(C(=O)[C@H](c3cccnc3)N3CCCC3)CC2)cc1=O 19113213 FMJGKHNAFPDXSO-IBGZPJMESA-N 382.468 0.661 0 50 GCAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(F)cc2)n(C)c1=O 20026503 OIUIFKNWBXFINT-UHFFFAOYSA-N 387.415 0.453 0 50 GCAA Cc1ncc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1 67983005 BEVWSFHWOIDNED-AWEZNQCLSA-N 387.484 0.674 0 50 GCAA O=C1CCC2(CCN(S(=O)(=O)c3cn[nH]c3)CC2)CN1C[C@H]1CCCO1 91535911 XPZBDJXTEVFHJL-CQSZACIVSA-N 382.486 0.982 0 50 GCAA O=C(CN1CCOCC1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91793115 OFDMBLQMOIWUQP-UHFFFAOYSA-N 389.500 0.516 0 50 GCAA O=C(NCc1ccccc1-n1ccnc1)c1cnc(Cn2cncn2)nc1O 91845826 CVJZSUDYMLURLF-UHFFFAOYSA-N 376.380 0.938 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 95509284 FEIFGWAQDVXWLI-AWEZNQCLSA-N 379.442 0.859 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2)CN1C(=O)CCO 96135824 FOFYGSIJXKHFGC-ZBFHGGJFSA-N 377.441 0.342 0 50 GCAA Cc1nccn1Cc1nnc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1C 96164424 ZOIPDBKGEJAIND-UHFFFAOYSA-N 387.444 0.527 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)O)CC2)c1 96166356 GPPBXVSASQEUIE-SFHVURJKSA-N 383.452 0.878 0 50 GCAA O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 97474983 CBZFMVPXYMAXDZ-CYBMUJFWSA-N 381.454 0.287 0 50 GCAA CCn1cc(NS(=O)(=O)c2ccc(OC)c(CC(=O)O)c2)c(C(N)=O)n1 241911232 UATSKWLOHWNDBS-UHFFFAOYSA-N 382.398 0.438 0 50 GCAA CCc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)no1 426420341 PMLJDILKMQWLBG-AWEZNQCLSA-N 375.429 0.583 0 50 GCAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)c1cccc(-n3cnnc3)n1)CC2 534574459 MAODAOYSRYZPNB-SIXWZSSISA-N 384.440 0.951 0 50 GCAA Cc1cc(C)n(CC(=O)NCc2c3c(c(O)c4c2OCO4)C(=O)N(C)CC3)n1 827864351 JYSNPMPSMADMNS-UHFFFAOYSA-N 386.408 0.879 0 50 GCAA biogenic Cc1cc(NC(=O)CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1F 952986508 DXDVQUFPOVZGCR-CQSZACIVSA-N 378.448 0.989 0 50 GCAA CCCn1ccnc1CN1CCN(Cc2cnc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073318931 NKWCTDQIYLNENJ-CVEARBPZSA-N 378.502 0.500 0 50 GCAA Cc1ccn2c(NC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3)nnc2n1 1529126358 FZWYJEQTOXLRLK-OAHLLOKOSA-N 379.424 0.762 0 50 GCAA O=S(=O)(N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12)c1cnc(O)nc1O 1565507666 ASKPXXLGNCXAHV-AYRXBEOTSA-N 377.422 0.812 0 50 GCAA CN(CC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O)Cc1ccncc1 1565509526 SJFKINDTNAJEDQ-WMZOPIPTSA-N 383.452 0.300 0 50 GCAA CN(C(=O)NC1CCN(Cc2cccs2)CC1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565514376 FLOKKMUNBWIICX-GJZGRUSLSA-N 387.527 0.512 0 50 GCAA COC(=O)[C@@]1(C)CCCN(c2ncnc3c2ncn3CC(C)(CO)CO)C1 1857527871 NRRCXNYOMBXWHT-SFHVURJKSA-N 377.445 0.597 0 50 GCAA O=C(CCCn1cncn1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857676819 SSRBOLQMFBLXFN-KBPBESRZSA-N 391.453 0.399 0 50 GCAA CS(=O)(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857711247 PRZQWGJHJCNKSI-QWHCGFSZSA-N 399.444 0.247 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)N3CC(n4nc(C)cc4C)C3)CC2=O)s1 1857725124 XMUSSAIZFLIWME-LBPRGKRZSA-N 390.469 0.934 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCCO)C1)c1ccc2nn[nH]c2c1 1875239938 AMIDZWKYZJODCD-LIRRHRJNSA-N 386.456 0.183 0 50 GCAA COC(=O)[C@H]1C[C@@H](n2cc([C@H]3CCOC3)nn2)CN1C(=O)c1nocc1C 1875338346 UQGRRXRHYIHWGY-OUCADQQQSA-N 375.385 0.707 0 50 GCAA CN1C(=O)c2ccc(C(=O)N3CCO[C@H]4[C@@H]3[C@@H]4C(F)(F)F)cc2S1(=O)=O 2325792958 YFFQPQITQGTLQS-SDDRHHMPSA-N 390.339 0.863 0 50 GCAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN([C@H](C)CSC)CC2 14541206 UMZFFZYUKOBCLX-CYBMUJFWSA-N 387.502 0.656 0 50 GCAA CCOC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(OC)cc3)C[C@@H]2O)CC1 23339101 RHOQNKIWRYMMAK-IRXDYDNUSA-N 377.441 0.655 0 50 GCAA CC(C)(C)CC(=O)N[C@H]1CN[C@H](C(=O)NCc2nnc3n2CCCCC3)C1 67446882 OTBJUSHQAKPBOY-KGLIPLIRSA-N 376.505 0.904 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)c2coc(COc3cccc(F)c3)n2)CC1 67872298 QIPFUWKANKLJKP-UHFFFAOYSA-N 384.389 0.354 0 50 GCAA CNC(=O)C(C)(C)N(C)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71755445 CJAGMOWTPPHUSJ-AWEZNQCLSA-N 390.484 0.959 0 50 GCAA Cc1nnnn1CCC(=O)N1CCOC[C@@H]1CC(=O)NCC1=CCCCC1 72134516 AOPGMWHYDGETEK-INIZCTEOSA-N 376.461 0.606 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCOC3)c2)cn1 95389002 LTENIBVSMZTXGY-ZDUSSCGKSA-N 378.454 0.665 0 50 GCAA Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(Cl)cc12 95921675 XDHZEATXDFGBFI-JHZZJYKESA-N 386.740 0.026 0 50 GCAA in-vitro Cn1cnc(-c2cccc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)c2)n1 183712709 FZINARKSJLXAJX-UHFFFAOYSA-N 391.391 0.680 0 50 GCAA COC(=O)[C@@]1(C)N[C@@H](c2cccc(Cn3cccn3)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210433982 HMYYUPLDIIRPAZ-ULMVMLMRSA-N 382.420 0.738 0 50 GCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 215471138 YFBHZYWQUZIANR-GOSISDBHSA-N 382.464 0.628 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC[C@H](N)C1)CC2 247835467 MCUXFBCJABEEHN-KGLIPLIRSA-N 375.473 0.386 0 50 GCAA COC(=O)c1cn([C@H](CCS(C)(=O)=O)c2nc(C)no2)cc2c(=O)[nH]nc1-2 263587944 NGNBPXIQBKNWNW-LLVKDONJSA-N 395.397 0.178 0 50 GCAA O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ncccc4F)CC3)cc2[nH]1 270500290 MJYICXAHCOUGFI-UHFFFAOYSA-N 377.401 0.901 0 50 GCAA COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)NC1=O 332782581 ZBTGLVVYSKCQLE-OLZOCXBDSA-N 393.827 0.875 0 50 GCAA CN1CC[C@H]2OCCN(c3ncnc4c3ncn4CC3(O)CCOCC3)[C@H]2C1 888097167 CUEUPSCUOTYRMS-LSDHHAIUSA-N 388.472 0.277 0 50 GCAA C[C@@H](CS(C)(=O)=O)N1CCCN(C(=O)CCCN2CCCCC2=O)CC1 1775978947 WIEIIWLMDBHPKJ-INIZCTEOSA-N 387.546 0.747 0 50 GCAA O=C(Cn1ccc(O)nc1=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857667452 FWLBKCUMJRWYRU-HXUWFJFHSA-N 397.435 0.829 0 50 GCAA Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)Cn1cnnn1 1857692087 NQXFQOCQEJEFBH-KSSFIOAISA-N 393.451 0.765 0 50 GCAA CNC(=O)CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(c2nnnn2-c2ccccc2)CCO1 1857727423 SBFFXANXGVMECE-YRWFTTLQSA-N 397.483 0.611 0 50 GCAA CNC(=O)Cc1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(-c2cnc3ccccc3n2)n1 1857736426 ODPAMYQZIWSUJG-YWPYICTPSA-N 381.440 0.455 0 50 GCAA CCOC(=O)CN(C)c1ncc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cn1 1857740835 OQROWQVJQUNGOF-KDOFPFPSSA-N 375.429 0.009 0 50 GCAA COCC(=O)N1CC[C@H](CN(C)c2cc(C3CC3)nc(S(C)(=O)=O)n2)C1 1875330027 KCKCOHVEZMOOSK-GFCCVEGCSA-N 382.486 0.689 0 50 GCAA CC(=O)N1CC(C(=O)NCC2[C@H]3CN(C(=O)c4cccc5nc[nH]c45)C[C@H]23)C1 1875360284 DOQZWXHEIDYGDI-HZPDHXFCSA-N 381.436 0.475 0 50 GCAA C=CC(=O)N(C)c1ccc(C(=O)N2CC(n3cnc4c(N)[nH]c(=N)nc43)C2)cc1 1875373996 XFHAYQHKTULPDW-UHFFFAOYSA-N 392.423 0.667 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCc2ccccn2)C[C@H]1O)c1cccn2cnnc12 1940195794 NAIOAHMMNYADSM-APHBMKBZSA-N 380.408 0.310 0 50 GCAA COC(=O)CNC(=O)[C@H]1CC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H](O)C1 2100537802 WXHHHSDCMKMMKD-DRZCJDIDSA-N 391.399 0.856 0 50 GCAA Cc1c(C(=O)NS(=O)(=O)c2cnc(C3OCCO3)s2)cnc2ccnn12 2325819894 TYUANEGCSZTDMC-UHFFFAOYSA-N 395.422 0.658 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356150329 XEZPVMBDSGEYPA-IBGZPJMESA-N 393.509 0.762 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2SC1 6318091 PQIJLDPZHHQMJA-BLLLJJGKSA-N 394.380 0.741 0 50 GCAA CN1CCN(c2nc(=O)c3c(ncn3CCCc3ccccc3)c(=O)[nH]2)CC1 20118577 PFXROVMSVDFNRT-UHFFFAOYSA-N 380.452 0.864 0 50 GCAA CN(c1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1)S(C)(=O)=O 65362593 OGYCIVGAFOOXBC-GFCCVEGCSA-N 389.499 0.693 0 50 GCAA Cc1cn(CCNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)nn1 71745410 IGUPDKIPHVESRA-HNNXBMFYSA-N 386.456 0.692 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ncc[nH]2)c(F)c1 72156416 VQDOPBGVPRNUDC-OAHLLOKOSA-N 375.404 0.564 0 50 GCAA C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1C 77489353 XMPFAFRGSLWQML-CYBMUJFWSA-N 394.497 0.787 0 50 GCAA CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)cn1 95361792 HKINQTNMYFTOOH-HNNXBMFYSA-N 378.454 0.900 0 50 GCAA Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cn1 173419994 JFCLNUNOYGOTEV-LBPRGKRZSA-N 391.453 0.812 0 50 GCAA CCN1CCN([C@H](C)CNS(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 253432756 NKTLOKPVOUUJQE-SJLPKXTDSA-N 388.578 0.723 0 50 GCAA C[C@@H](C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329863440 RXARHLFILRTWMQ-OJCIQVSYSA-N 392.452 0.332 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)CCOc3ccccc3)C[C@H]2CO1 1857713451 JUMYXKYXJWKDFV-BQFCYCMXSA-N 375.469 0.892 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)Cc1c[nH]c3c(C)cccc13)C2 1875396114 VXARFPDSNCXAPT-HNNXBMFYSA-N 389.477 0.781 0 50 GCAA Cn1c(N2CC[C@@H](NCc3ccnn3C3CCOCC3)C2)cc(=O)n(C)c1=O 1875397773 NHEPLMKPXCWYLT-CQSZACIVSA-N 388.472 0.001 0 50 GCAA CO[C@@H]1CN(c2ccnc(N3CCC(c4nnnn4C)CC3)n2)C[C@@H]1N(C)C 1875398139 CTJHIIZBOLQXPG-LSDHHAIUSA-N 387.492 0.149 0 50 GCAA COCc1ncc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(C)n1 2325819160 WZDPWWAYEGIQBJ-UHFFFAOYSA-N 377.401 0.313 0 50 GCAA O=C(CNC(=O)C1CC(c2ccc(Br)cc2)C1)N[C@@H](CO)C(=O)O 2325851925 MYYVBFMAEHIXHF-XIVSLSHWSA-N 399.241 0.621 0 50 GCAA CO[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1 2332237930 QYYJDTPTABCRDC-MVWJERBFSA-N 398.403 0.272 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCc1cccc2ncnn12 2356141750 ODTYLVKIDAIIDT-QGZVFWFLSA-N 396.426 0.875 0 50 GCAA C[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)NCC(=O)O 2558710 IKCPKYTWSUFCRD-LLVKDONJSA-N 379.438 0.773 0 50 GCAA Cc1cc(N2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)n2ncnc2n1 30659840 HIYUJWXNXYSWIG-UHFFFAOYSA-N 390.407 0.632 0 50 GCAA Cc1ccc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O 72425123 RWSJLAVIVLBKSK-CVEARBPZSA-N 392.477 0.951 0 50 GCAA Nc1cc(C(=O)N2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)ccn1 72458951 CDTODAZUKZWIHD-CVEARBPZSA-N 387.465 0.182 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(S(C)(=O)=O)CC2 77343239 DLLOOVWJCOLYMG-HNNXBMFYSA-N 388.511 0.804 0 50 GCAA Cc1ccc2[nH]c(SCC(=O)N3C[C@H](CO)[C@H](CN(C)CCO)C3)nc2c1 91952213 NSOYNMMEIDFHKE-HUUCEWRRSA-N 392.525 0.954 0 50 GCAA O=C1CN(CC(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)C(=O)N1 95499229 AOIVIVFWPAAFKJ-LBPRGKRZSA-N 376.388 0.346 0 50 GCAA CCc1ccccc1OCCN1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)O)C1 251989022 IHHHWZDCCGYYGW-YJBOKZPZSA-N 382.482 0.906 0 50 GCAA Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]2C[C@@H](O)C2)cn1 252552185 UQOYIHSUIROKAC-BFCNOCSMSA-N 392.437 0.542 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccc3nonc23)C1=O 328608487 AOPAPGKVKAZXSW-LBPRGKRZSA-N 390.425 0.913 0 50 GCAA CCCCn1c(N)c(N(CC)C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c(O)nc1=O 368258133 FVUCOFCQVVCRGV-MBNYWOFBSA-N 380.445 0.736 0 50 GCAA CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCN2CCOCC2(C)C)C1 376328008 OMDOSDDLYLLFKU-CQSZACIVSA-N 376.523 0.163 0 50 GCAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCCN(Cc3cccs3)CC1)CC2 1506415041 JTGPEAGQTDNVHX-AWEZNQCLSA-N 375.498 0.940 0 50 GCAA COc1cc(F)c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(F)c1 1704331667 ROKIZQZJSIMEGY-ZANVPECISA-N 378.397 0.610 0 50 GCAA CCn1nc(C(=O)N2CC3(C2)[C@@H](C(=O)N(C)C)CCS3(=O)=O)cc1C1CC1 1857527969 NOKSLCLVTPAZLX-CYBMUJFWSA-N 394.497 0.498 0 50 GCAA COc1cncc(Br)c1C(=O)NC[C@]1(CO)COC[C@@H](C)N1C 1857531379 ORJUBYKIELGERV-BMIGLBTASA-N 388.262 0.664 0 50 GCAA O=S(=O)(N1CCOCC1)N1CCCN(c2cnc3ccccc3n2)CC1 1857681396 COEPUJAGAJWLKH-UHFFFAOYSA-N 377.470 0.719 0 50 GCAA COCCN(CCNC(=O)[C@@]1(C)CCCS1)C(=O)CN1CSCC1=O 1875345896 MBOCQWHNBBPBPU-MRXNPFEDSA-N 389.543 0.396 0 50 GCAA CC(C)NC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(N3CCOCC3)nc2)[C@@H](O)C1 2100540565 LQETUVBIUUGIRG-XIRDDKMYSA-N 390.484 0.702 0 50 GCAA COCc1nn(C)cc1C(=O)NCC1(F)CN(C(=O)[C@H](O)C2CCCC2)C1 2325827273 AYYQZEKXQBOPEA-OAHLLOKOSA-N 382.436 0.398 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)NCc1nccn1Cc1ccccc1 2356141763 OVBNRUPXWHHUKX-VJNPQNOSSA-N 384.480 0.371 0 50 GCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc3c(c1)ncn3CCO)C2 72165631 FUVXUIIRBLGHMQ-UHFFFAOYSA-N 382.424 0.376 0 50 GCAA Cc1nn(CC(=O)N2C[C@@H]3CCN(C)C[C@]3(C(=O)O)C2)c(=O)c2ccccc12 91620913 WOYGLKFHMFYSQJ-XOBRGWDASA-N 384.436 0.570 0 50 GCAA O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1 213258011 FUCJAVRJGVVICB-ROUUACIJSA-N 389.477 0.270 0 50 GCAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C3)cn1 252486835 HPEXXETZWQGNSO-SNVBAGLBSA-N 379.442 0.303 0 50 GCAA O=C1CCc2cc(C(=O)N3CCC[C@H](C(=O)N4CCNCC4)C3)c(F)cc2N1 262047013 GYHDKXIAVXDOSG-AWEZNQCLSA-N 388.443 0.994 0 50 GCAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)CC1 262478440 KGEJLQYLTPCLKY-UHFFFAOYSA-N 376.413 0.833 0 50 GCAA CC[C@]1(C(N)=O)CCCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2C)C1 299802552 ZHMPWTCPOLEULL-KRWDZBQOSA-N 385.461 0.917 0 50 GCAA Cc1nn2cc(S(=O)(=O)N[C@@H]3CC(=O)N(C(C)C)C3=O)cnc2c1Cl 329133363 PNGYMLGDDKOQIQ-SNVBAGLBSA-N 385.833 0.505 0 50 GCAA CN1C[C@H]2CN(C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)C[C@@]2(C(=O)O)C1 534639317 POKYEYNADWCVLS-SJCJKPOMSA-N 399.444 0.067 0 50 GCAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCCc2csc(N)n2)[C@@H]3C1=O 828129178 ALCKZUIBLLEESI-FLTUCWPJSA-N 376.482 0.965 0 50 GCAA Cn1ncc2c1C[C@@H](C(=O)NC1CCN(c3ncnc4[nH]cnc34)CC1)CC2 888076757 ZKXDWZNIIDRXCH-LBPRGKRZSA-N 380.456 0.977 0 50 GCAA 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CN(C)CCCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96138284 APASXJOYGGWFRY-UHFFFAOYSA-N 378.521 0.695 0 50 GCAA N[C@H]1CC[C@@H](n2cc(C(=O)NCCc3noc([C@@H]4CCCO4)n3)nn2)CC1 244778601 PTNAEKYOSBYVRB-SCRDCRAPSA-N 375.433 0.928 0 50 GCAA Cc1ccn2cc(CN3C[C@H]4CN(S(C)(=O)=O)C[C@@]4(C(=O)O)C3)nc2c1 247832964 MHCUBRJSGZGQAM-GUYCJALGSA-N 378.454 0.421 0 50 GCAA COc1ccc(CN2CCN(C(=O)C3CC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 1565510565 HLWCRGBBOXBLLK-CVEARBPZSA-N 394.493 0.924 0 50 GCAA Cc1ccc2nc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)c(F)n2c1 1704303600 LHJPXSQKCREAPJ-NWDGAFQWSA-N 384.433 0.418 0 50 GCAA Cc1cc(CC(=O)N2C[C@H]3CN(Cc4cnn5cccnc45)C[C@@]3(CO)C2)on1 1772811278 UZNUJTADXJEGHI-UZLBHIALSA-N 396.451 0.521 0 50 GCAA Cc1ccn(CCC(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)n1 1857673875 MKTMAUQJQNDOTI-GJZGRUSLSA-N 390.465 0.922 0 50 GCAA O=C1CCC2(CCN(S(=O)(=O)CC[C@H]3CCS(=O)(=O)C3)CC2)CN1 1857693940 TXCNPJVSTPLADH-CYBMUJFWSA-N 378.516 0.133 0 50 GCAA O=C1CO[C@H](C(=O)NCc2nc(Cc3ccccc3)no2)[C@@H](c2cccnc2)N1 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0.713 0 50 GCAA O=C(NCCN1CCCCC1=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 11878714 HFVBBTKKIQMFIS-AWEZNQCLSA-N 385.424 0.860 0 50 GCAA CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O1 15024401 SEPUIXHISUZJQX-DPAVQSFQSA-N 387.392 0.905 0 50 GCAA CCn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H](c1ccccc1)n1cnnn1)C2 67692848 MQJOEECFZGGJCB-MRXNPFEDSA-N 381.396 0.762 0 50 GCAA CCn1c(CC2CCN(C(=O)C[C@@H]3C[C@@H](C)NC(=S)N3)CC2)nn(C)c1=O 67895930 NHTQJHZVXUAQIK-OCCSQVGLSA-N 394.545 0.398 0 50 GCAA O=C(c1ncc[nH]1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71746048 BGFXBLKVBBLPFM-HNNXBMFYSA-N 375.473 0.585 0 50 GCAA O=C(O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@H]2CS(=O)(=O)C[C@H]21 77486935 KMAUAGUVKPONGK-CABCVRRESA-N 377.422 0.176 0 50 GCAA Cc1[nH]nc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)c1C 92061787 XPKJONQRWKOABO-QZTJIDSGSA-N 377.533 0.664 0 50 GCAA O=C(Cc1ccc(-n2cnnn2)cc1)NCCS(=O)(=O)CCc1ccccc1 225720854 AYBXWNBDBAPBID-UHFFFAOYSA-N 399.476 0.979 0 50 GCAA COC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 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YGFPUOAZLPILNK-HNNXBMFYSA-N 384.436 0.728 0 50 GCAA Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O 2001200 QOVTVIYTBRHADL-UHFFFAOYSA-N 380.662 0.906 0 50 GCAA biogenic,in-man Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc(CCC(=O)O)c1=O 2309202 TWQJSMMUSHHKCM-UHFFFAOYSA-N 383.817 0.754 0 50 GCAA Cc1ccc(C2=NN(CCO)c3nc4c(c(=O)n(C)c(=O)n4C)n3[C@@H]2C)cc1 4626164 SRUPHLPMXGFASN-GFCCVEGCSA-N 382.424 0.520 0 50 GCAA Cn1c(=O)c2[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2n(C)c1=O 4818382 UQDRYLWSTUZIRY-UHFFFAOYSA-N 398.423 0.011 0 50 GCAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C1CCSCC1)CC2 14749169 MVHRLWDKRCRVMM-UHFFFAOYSA-N 399.513 0.800 0 50 GCAA COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O 17945669 VKNUEPRYSQBSDA-UHFFFAOYSA-N 377.422 0.898 0 50 GCAA CN(CCN1CCOCC1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 20167549 KMUMXYPJZLVWSU-INIZCTEOSA-N 386.518 0.230 0 50 GCAA NC(=O)CNC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71759700 CGKDRPGWJMJLFX-SFHVURJKSA-N 384.524 0.932 0 50 GCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91708026 MVBNCVCVORIQIK-UHFFFAOYSA-N 388.468 0.710 0 50 GCAA Cc1nc(CN(C)S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOC3)cc2)no1 91745559 MRWZJTWULRYRDK-ZDUSSCGKSA-N 380.426 0.717 0 50 GCAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCc2n[nH]c(N)n2)CC1 95509325 UWFMILFJNLEQFQ-UHFFFAOYSA-N 394.457 0.120 0 50 GCAA Cn1c(N2CCC[C@H](c3nccn3CC3CC3)C2)nc2c1c(=O)[nH]c(=O)n2C 95520321 BCRRKNLUXZXDQP-ZDUSSCGKSA-N 383.456 0.951 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)C2=O)cn1 172084799 IFZBQHDSAXLQMQ-DLBZAZTESA-N 381.436 0.946 0 50 GCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2(N)CCCCC2)CC1 237341779 IOUZFSFJLKVOFT-UHFFFAOYSA-N 380.514 0.905 0 50 GCAA O=C(NCc1cc2n(n1)CCN(c1nccc(N3CC[C@@H](O)C3)n1)C2)C1CCC1 299789737 AHCCFSPLENIPKW-QGZVFWFLSA-N 397.483 0.681 0 50 GCAA N=C1NC(=O)C2(CCN(C(=O)N[C@H](Cn3cccn3)c3ccccc3)CC2)N1 426544843 NUKNXWGOOACIJT-OAHLLOKOSA-N 381.440 0.823 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)COc2ccccc2Cl)C[C@@H]1O 1529161362 GDZNYVLBHNGOIV-AAEUAGOBSA-N 376.862 0.430 0 50 GCAA COc1c(F)ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1F 1704339975 AHCPCBIRAJJYKY-JOYOIKCWSA-N 378.397 0.610 0 50 GCAA O=C(CCc1cnccn1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857672820 IACQBHYQTDKTOH-GJZGRUSLSA-N 388.449 0.750 0 50 GCAA O=C(N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2)[C@H]1CCOC1 1857690920 UUPRBTPXDCZQSA-YGTYGHESSA-N 399.447 0.984 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cc(C)nc(N(C)C(C)C)n1)C2 1875289038 QDZSBSKMBDASBG-ZDUSSCGKSA-N 381.502 0.369 0 50 GCAA CNC(=O)C12CC(CNC(=O)c3ccc4c(c3)ncn4C)(C1)OC21CCNCC1 1875393098 GFRCBQAVKYJSDJ-UHFFFAOYSA-N 397.479 0.721 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N(C)Cc2ccnc(N(C)C)n2)ncn1 1875398117 BTBMVVXBXLRCEY-HZPDHXFCSA-N 386.504 0.470 0 50 GCAA O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402070 ANMYTYDDIYXSLI-GUDVDZBRSA-N 398.511 0.746 0 50 GCAA Cc1nc(C)c(CC(=O)N2CCOC[C@H]2CC(=O)NC2CCCC2)c(=O)[nH]1 72419014 WWEPPTNWEFJLCC-OAHLLOKOSA-N 376.457 0.606 0 50 GCAA CC(C)CC(=O)N1CCN(C(=O)Cc2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72463635 RUERQDWJSYRAHB-SJORKVTESA-N 394.493 0.817 0 50 GCAA CN(C)C(=O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)o1 95361719 ZRTXHSMXJSHPDC-ZIAGYGMSSA-N 384.502 0.684 0 50 GCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H]1c2ccccc2C[C@@H]1O 175307439 HFXNIZDHXPZCSU-RXVVDRJESA-N 391.427 0.833 0 50 GCAA CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(S(C)(=O)=O)CC1 218334725 KFHXDORBIOCOBR-UHFFFAOYSA-N 378.454 0.704 0 50 GCAA Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)C2=O)n1 271133837 STFNBHABMVODER-HZPDHXFCSA-N 389.431 0.957 0 50 GCAA CSc1ncc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c(O)n1 299771818 VLECDXGXNAALPI-IMODNSLOSA-N 381.454 0.533 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2cccc3c2OCO3)CC1 328628837 HPROHQHNUNOGJG-UHFFFAOYSA-N 384.410 0.366 0 50 GCAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)CN2C(=O)CN(C)C2=O)n1C 365099249 LMLSWMVGSYUYIF-ZDUSSCGKSA-N 375.429 0.332 0 50 GCAA O=C(C1=NN2CCCN=C2N1)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952894098 LWJIVCVRQBJCNR-HNNXBMFYSA-N 397.361 0.958 0 50 GCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cnn(Cc3ccccc3)c1)C2 1704311980 ILEZQLXETUAWCU-WMZOPIPTSA-N 384.436 0.789 0 50 GCAA O=C(CCn1ccc(O)nc1=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1 1772706667 KOBAGXHLFZYQPV-UHFFFAOYSA-N 394.815 0.960 0 50 GCAA COCC(=O)N1C[C@@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@@H]2C1 1875330506 QTYRUZGYKCFAGH-BETUJISGSA-N 380.470 0.299 0 50 GCAA COC(=O)[C@H]1C[C@@H](n2cc(CO)nn2)CN1C(=O)[C@@H](OC)C1CC(F)(F)C1 1875338490 ZHCICSMWUHOPRJ-UPJWGTAASA-N 388.371 0.146 0 50 GCAA C[C@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1ccccc1-n1ccnn1 1875399782 IYPGBBIAESEZLA-LSDHHAIUSA-N 395.467 0.594 0 50 GCAA Cc1cccc(F)c1C(=O)N[C@H]1C[C@H](C(=O)NCCCc2nn[nH]n2)C[C@@H]1O 2100556371 LCLGBRNSVMYVID-UBHSHLNASA-N 390.419 0.266 0 50 GCAA CN=c1nc(N2CCN(c3ncc(I)cn3)CC2)cc[nH]1 2325792775 LKZCGGAQRYLFIA-UHFFFAOYSA-N 397.224 0.661 0 50 GCAA CN(C)c1ccc(C(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)cn1 2325812946 WYLKVMIEVKMCPC-OAHLLOKOSA-N 389.456 0.822 0 50 GCAA Cc1nc(O)cc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)CO)n1 2356170055 SIWMRCKMXKYRBS-DEPWHIHDSA-N 398.463 0.176 0 50 GCAA O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccccc1F 2870589 USVFLGBGHWNVJP-UHFFFAOYSA-N 380.397 0.964 0 50 GCAA Cn1c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2n(C)c1=O 6505121 LBZZEFPVHPIWCL-UHFFFAOYSA-N 385.445 0.984 0 50 GCAA biogenic,in-vitro CCS(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1ccc2c(c1)OCCO2 14397838 IFBVXSRFUDRGOH-UHFFFAOYSA-N 383.470 0.388 0 50 GCAA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)c2nonc12 17077353 OIIACASYIIVKGA-UHFFFAOYSA-N 378.414 0.902 0 50 GCAA CCOC(=O)[C@@H]1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1 19145353 KYTIBFBHBNKXHA-HNNXBMFYSA-N 394.476 0.230 0 50 GCAA COC(=O)[C@]1(Cc2ccccc2)N[C@H](C2CCOCC2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65398332 HAPQDONLDAOIAL-BZLDKRAPSA-N 386.448 0.770 0 50 GCAA C[C@@H](C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1)n1cnnn1 67803816 JMOVMCHOWHBVPZ-HNNXBMFYSA-N 393.455 0.667 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CNCCN3CCOC3=O)C2=O)c1 67820205 CZAHRAJQLZMZRS-IBGZPJMESA-N 377.441 0.591 0 50 GCAA NC(=O)c1ccc(-c2nc3c(c(NCCN4CCOCC4)n2)CCNC3)cc1 71524443 ZITAMDMQGSUOKV-UHFFFAOYSA-N 382.468 0.632 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCN1CCOC1=O)CO2 71745812 PWEZZPSGKHNRAH-AWEZNQCLSA-N 390.440 0.544 0 50 GCAA CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccccc3OCC(=O)O)C[C@@H]2C1 95362928 CUMZTMFMOQIZAS-CRAIPNDOSA-N 398.481 0.368 0 50 GCAA O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95375290 YPEQRALXDNWGLV-CQSZACIVSA-N 377.404 0.983 0 50 GCAA COC(=O)CN1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1 170601737 XPSVRXJHEFIYTR-SFHVURJKSA-N 379.432 0.516 0 50 GCAA Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 193257190 XZHMNQNCEVDQBK-UHFFFAOYSA-N 382.424 0.901 0 50 GCAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCOCC1 206243717 FWWKHZQJPIMPDS-CYBMUJFWSA-N 375.381 0.475 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C[C@@H]1c1ncc[nH]1 328616378 BNMQNUWWKWMNLH-CYBMUJFWSA-N 390.425 0.442 0 50 GCAA CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCOCC(F)(F)C1)C(F)(F)F 377529790 IJOPZFMUVHXAGL-QMMMGPOBSA-N 383.339 0.486 0 50 GCAA O=C(O)[C@]12CN(CCO)C[C@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 1565508455 PCXQNBBZWCKGFP-LPHOPBHVSA-N 375.473 0.278 0 50 GCAA CCc1cc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)no1 1565525839 WOIBPACFKIMALC-KGLIPLIRSA-N 377.426 0.155 0 50 GCAA Cc1ccc(C)c(OCC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1C 1616068917 JFCRNXYNCILVLJ-CVEARBPZSA-N 384.498 0.701 0 50 GCAA CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(-c2ccccn2)[nH]n1 1775980032 RHKWDEMEALVXSO-HUUCEWRRSA-N 391.453 0.283 0 50 GCAA O=C1C[C@H]2N(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC[C@]23OCCCN13 1857711581 HXLRQCGLNFIHJZ-AEFFLSMTSA-N 394.449 0.960 0 50 GCAA Cn1ncc2c(O)nc(CN3C[C@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)nc21 1857715306 LMEVFGVWPXUPEC-DOHHPOSVSA-N 381.436 0.638 0 50 GCAA CN1CCCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)CCc3cccnc3)C2)CC1 2100478101 RIRBHLREXPPGFL-IPMKNSEASA-N 388.512 0.824 0 50 GCAA Cc1conc1C(=O)N1CCc2c(ncn2C)[C@@]12CCN(C(=O)[C@@H]1CCOC1)C2 2325776877 IIZUPFIGWGAHET-VLIAUNLRSA-N 399.451 0.879 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)c(C)n23)n(C)c1=O 13814935 TZHCMUCCTOAZQZ-UHFFFAOYSA-N 395.419 0.988 0 50 GCAA CN(C)C(=O)CN1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 15066590 WSZHNSWTLAFPHP-UHFFFAOYSA-N 388.476 0.603 0 50 GCAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 19782407 DVCSXDVBVWNFOR-MRXNPFEDSA-N 391.424 0.937 0 50 GCAA O=C1CN(Cc2cn(CC3CCN(C(=O)[C@@H]4CC=CCC4)CC3)nn2)CCN1 23544066 SVLUCSGLTZMZQI-QGZVFWFLSA-N 386.500 0.805 0 50 GCAA Cc1ccccc1CC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N2CCN(C)CC2)C1 72129453 VXSIEONGSRDJAK-MSOLQXFVSA-N 387.480 0.861 0 50 GCAA CC(C)(C)CC(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72424367 PBUUUUBVHWLPLJ-LSDHHAIUSA-N 379.482 0.968 0 50 GCAA CCCn1cnnc1CNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72430766 WEJUVKLXLQPEBW-LBPRGKRZSA-N 379.490 0.961 0 50 GCAA CC(C)c1cc(C(=O)N2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 77321781 OVKZEAIMDQOYCQ-QWHCGFSZSA-N 384.458 0.403 0 50 GCAA CNCCN1C(=O)CC[C@H]2CN(CCS(=O)(=O)c3ccccc3)CC[C@H]21 77518915 MVEWYHRHWCPZSK-FUHWJXTLSA-N 379.526 0.993 0 50 GCAA CCC[C@@]1(C(=O)O)CCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 91650492 OOJGLJMTJDUXSZ-QGZVFWFLSA-N 395.437 0.872 0 50 GCAA COCCCN1C(=O)N(Cc2cc(=O)c(OC)co2)C(=O)C12CCNCC2 95371232 AQZUTDDXQDVMAS-UHFFFAOYSA-N 379.413 0.571 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(=O)c1cccnc1)CC2 95506593 CSLPGZLDNUNYHK-UHFFFAOYSA-N 397.435 0.536 0 50 GCAA CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2cc(O)nc(C3CC3)n2)C1 253535090 CGMBRUNGAYJNIF-OBJOEFQTSA-N 380.470 0.846 0 50 GCAA CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cnc2nc(O)nc(O)c2c1 284799864 YQFVDPAJQGDJGV-JTQLQIEISA-N 395.441 0.505 0 50 GCAA O=C(O)CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1CCOCC1 299749668 LGJPZCCYGQWFRG-CQSZACIVSA-N 375.425 0.912 0 50 GCAA CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299756170 ITDXSHMADCZRJO-HOTGVXAUSA-N 376.438 0.597 0 50 GCAA COc1ccc(-c2nnn(Cc3nnnn3CC3CCOCC3)n2)cc1OC 370132071 MSPGFEVTEMRJJC-UHFFFAOYSA-N 386.416 0.819 0 50 GCAA CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@H]21 408029916 DNBXOLRMHCROCQ-HZPDHXFCSA-N 382.486 0.874 0 50 GCAA NC(=O)C1CCN(CCCNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CC1 534651639 LQYZKYRTTDUNCH-MRXNPFEDSA-N 376.505 0.892 0 50 GCAA CCn1nccc1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 888093367 AEWMXWYCAVFZHA-UHFFFAOYSA-N 383.396 0.494 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cncn3)OCC(=O)N2C2CC2)cc1 1529167568 NOLUJQFITJPWJC-MSOLQXFVSA-N 385.424 0.534 0 50 GCAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CC(N2CCOCC2)C1 1772810813 MGIGSEMALGNEDU-CQSZACIVSA-N 392.525 0.628 0 50 GCAA Cc1nc(C)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(=N)[nH]c4)CCO3)C2)o1 1857686692 CJLLMKYSNFWIJI-LJQANCHMSA-N 385.424 0.856 0 50 GCAA O=C(c1cnc[nH]1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857700278 QGHJDSSMQPLTOW-LJQANCHMSA-N 384.440 0.862 0 50 GCAA COCc1cc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(COC)s3)C2)[nH]n1 1857731166 MFUZNUBMHXSVOY-SECBINFHSA-N 380.430 0.223 0 50 GCAA COc1cc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc(OC)c1OC 1857732766 FRWIVCNBGVKBDD-PMPSAXMXSA-N 394.468 0.595 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCCn2ccnc2)CC[C@H]1O)c1cncc(F)c1 1857734339 PQHNKYWJGIYQPT-IAOVAPTHSA-N 389.431 0.883 0 50 GCAA COC(=O)CCN(C)C(=O)[C@@H](CSC)NC(=O)[C@H]1Cc2ccccc2N1C 1875329400 UIIKGRUXORXLLU-GDBMZVCRSA-N 393.509 0.917 0 50 GCAA O=C(O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccnc(C(F)(F)F)c1)C2 1875392958 BAABWJQJUQFLKW-SECBINFHSA-N 378.328 0.814 0 50 GCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4ccc(Cn5cnnn5)cc4)C[C@@H]13)O2 2356166613 FUMZQHHDESJMBZ-LXZJYRNTSA-N 382.468 0.903 0 50 GCAA COc1cc(CNCCn2cccn2)ccc1OC[C@H](O)CN1CCOCC1 12433137 VRCGLHQDSNENSE-GOSISDBHSA-N 390.484 0.753 0 50 GCAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)c2cccnn2)CC1 77504424 IEMLQTNFOLNEPL-UHFFFAOYSA-N 385.472 0.582 0 50 GCAA COCC(=O)N1CCC2(CC1)CN(CCN1CCN(C(C)C)CC1)C(=O)O2 77537023 WMZIWJUSGGTGAP-UHFFFAOYSA-N 382.505 0.472 0 50 GCAA CC(C)c1nc(=O)cc(N2CCC(NCCSc3nnnn3C)CC2)[nH]1 95505077 XBRJGLSTAOMLBI-UHFFFAOYSA-N 378.506 0.768 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccnc2)CN1C(=O)CCSC 96179638 XWWFUEXHPNASFM-GJZGRUSLSA-N 378.498 0.599 0 50 GCAA Cn1cc(CNS(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)cn1 97655439 YYDMKSWTNFEHKE-CYBMUJFWSA-N 378.454 0.665 0 50 GCAA COC[C@H](NC(=O)c1noc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)C(N)=O 170613435 WEUNYBLGVSNMNK-UWVGGRQHSA-N 383.405 0.372 0 50 GCAA COCC(=O)N1CCN(C(=O)CCc2cccs2)[C@@H]2CS(=O)(=O)C[C@@H]21 247850627 RLSMQWHNYKIEFX-KGLIPLIRSA-N 386.495 0.164 0 50 GCAA CN1CC(=O)N2C[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C[C@H]2C1=O 584892426 MRFIDAZJJMMSAI-SJORKVTESA-N 385.468 0.487 0 50 GCAA O=C1NCCO[C@@H]2CCCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)[C@H]12 867873987 CMUHNGPEEJNHMC-CVEARBPZSA-N 376.438 0.540 0 50 GCAA O=C(N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1)C1(O)CNC1 952893165 GNMCXDXMMYBKGS-AWEZNQCLSA-N 383.330 0.498 0 50 GCAA COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cc1C(=O)N(C)C 952966444 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CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1nc(C)cc1N)CC2 95530201 JOXDKWCYIACJGB-UHFFFAOYSA-N 385.472 0.809 0 50 GCAA O[C@H]1C[C@@H]2CN(Cc3ccccc3OCCN3CCOCC3)C[C@@H]2C[C@@H]1O 215351803 XPIKTXAGTNDSBT-YRPNKDGESA-N 376.497 0.961 0 50 GCAA C[C@H](C(=O)O)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 263329041 UHASQFFLIBXVSZ-LLVKDONJSA-N 396.469 0.688 0 50 GCAA CC(=O)N[C@@H](C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)C1CCCC1 268514813 DULDVDKHAXIKFS-KBXCAEBGSA-N 378.425 0.966 0 50 GCAA CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)o1 275283787 KWTDAVKPTUIZJG-GFCCVEGCSA-N 379.398 0.564 0 50 GCAA Cc1nc(N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)cc2nncn12 298493150 ALPYQFYGBMZMIK-NXEZZACHSA-N 378.380 0.691 0 50 GCAA CSCc1nc(CNC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cs1 584886093 SYJWXODMNQIWKN-LLVKDONJSA-N 379.529 0.697 0 50 GCAA Cc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(=O)n1 670435747 CXAQPINUBYFEAT-UHFFFAOYSA-N 376.438 0.723 0 50 GCAA Cn1cc(N2C[C@@H](C(=O)NC[C@H]3CCCO[C@@H]3c3ccnn3C)CC2=O)cn1 1857529585 MLZJISYWLUSDML-GLJUWKHASA-N 386.456 0.791 0 50 GCAA O=C(c1nc2ncccn2n1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1875245416 YUKCNUZEAPWKSN-KXBFYZLASA-N 385.399 0.692 0 50 GCAA CC(C)(C(=O)O)c1cn(CCCCC(=O)NC[C@]2(CO)CCCOC2)nn1 1875353987 NAXSZIIHJDXXLV-SFHVURJKSA-N 382.461 0.716 0 50 GCAA Cn1ccc(CC(=O)N[C@H]2CC3(CN(C(=O)[C@]4(C)CCOC4)C3)n3ccnc32)n1 2332237998 UBIZWZULXYHFBA-HNAYVOBHSA-N 398.467 0.384 0 50 GCAA O=C1NCC(=O)N2CCN(C(=O)c3csc4nc(-c5ccccc5)cn34)C[C@@H]12 67725173 SZWBQMHSMNGQJD-AWEZNQCLSA-N 395.444 0.846 0 50 GCAA CCCN1C[C@@H](NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1=O 67907927 LLWMOWGXLCJMGP-VIFPVBQESA-N 387.483 0.381 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cccnn3)CC2)C1 71575730 AUPMSWQSOUFRRU-OAHLLOKOSA-N 375.473 0.556 0 50 GCAA COc1ccc(CCN2C[C@@H](C(=O)NCCc3n[nH]c(=O)[nH]3)CCC2=O)cc1 91474062 KKVKTVMRZNQATF-AWEZNQCLSA-N 387.440 0.247 0 50 GCAA COc1ccc(CCNC(=O)CN2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)O)C2)cc1 96148329 CNZFRDONXJOEBI-OXQOHEQNSA-N 389.452 0.219 0 50 GCAA COCCN1C[C@@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@]2(C(=O)O)C1 96162114 AYWRXMSYKNIKGP-FOIQADDNSA-N 384.436 0.977 0 50 GCAA OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O 169302856 HSTZMXCBWJGKHG-KIOFKYIJSA-N 390.388 0.447 0 50 GCAA biogenic O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H](N2CCNCC2=O)C1 186672271 VWQDQTMOMNUTDQ-LLVKDONJSA-N 383.246 0.174 0 50 GCAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 215895055 HRANWIUSFLMTFJ-AWEZNQCLSA-N 381.454 0.045 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 219325879 ISERKATUGBXQIQ-JOCQHMNTSA-N 378.454 0.316 0 50 GCAA CC(C)C[C@H](C(=O)OCC(=O)N1CCNC1=O)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248299703 ZMPOMZLZXJCSPN-MGPQQGTHSA-N 391.424 0.447 0 50 GCAA CCn1c(O)nc2cc(C(=O)N[C@H](C(=O)O)[C@@H]3CCCOC3)ccc2c1=O 262707057 ASLTWVBAVBTEQL-RISCZKNCSA-N 375.381 0.732 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1=O 328615146 XUQHXYQZOJVWIF-OCCSQVGLSA-N 394.457 0.052 0 50 GCAA COC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCOC[C@@H]32)s1 366335089 VHODLJZXOPBPPM-QWHCGFSZSA-N 390.483 0.825 0 50 GCAA Cc1cnc(C(=O)NCC2CCN(C(=O)[C@@H]3CCCCn4nnnc43)CC2)cn1 952978819 CDHSFNNVIQLWJM-OAHLLOKOSA-N 398.471 0.708 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cnoc2-c2ccccc2)C[C@@H]1O 1529093837 ADYIIFXXROKCRC-ZFWWWQNUSA-N 379.438 0.666 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@H]1O 1529196114 VGMNDQOGNFFNNY-GXFFZTMASA-N 378.397 0.054 0 50 GCAA CC(C)[C@H]1CN(Cc2cccc(OCCO)c2)C[C@@H]1NS(=O)(=O)N(C)C 1565510837 UFFYTOMJKNZIAM-MSOLQXFVSA-N 385.530 0.910 0 50 GCAA Cc1ccc(OCCN2CCN(CC(=O)O)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 1565516121 WWJMQCHYULVBEP-SJORKVTESA-N 382.482 0.550 0 50 GCAA Cc1nccc(CN2C[C@@H]3CN(CC(=O)NC4CCCCC4)C[C@]3(CO)C2)n1 1772815370 JMIABIDFTREBAJ-UTKZUKDTSA-N 387.528 0.960 0 50 GCAA Cc1nc(C)c(CC(=O)N2[C@H]3CC[C@@H]2[C@@H]2CN(S(C)(=O)=O)C[C@@H]23)c(O)n1 1857671856 UEJBRUXKQKAPND-NMWPEEMBSA-N 380.470 0.222 0 50 GCAA CCCNC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCCc3cnc[nH]3)[C@@H]2CC)C1 1857701923 YVNGEIFCZOLKRU-JYJNAYRXSA-N 390.488 0.499 0 50 GCAA O=CN[C@@H](Cc1ccsc1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)CC1 1875321770 UXHHPTYRMUUQHC-HOTGVXAUSA-N 399.538 0.822 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4CCO)C2)n[nH]c1=O 67847729 PVJULOMYXKRIFZ-CQSZACIVSA-N 384.440 0.953 0 50 GCAA NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 119901788 RUDPNFISRPQBAH-INIZCTEOSA-N 379.420 0.896 0 50 GCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H]1c2ccccc2C[C@@H]1O 175307422 HFXNIZDHXPZCSU-GHTZIAJQSA-N 391.427 0.833 0 50 GCAA Cc1ccc(C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1NC(=O)C1CC1 210203296 WUADNUYRPOVWKU-CVEARBPZSA-N 377.466 0.555 0 50 GCAA CCN(CC(=O)O)C1CC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 262854936 XYADZAPZPIGNKC-UHFFFAOYSA-N 385.424 0.639 0 50 GCAA O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1C[C@H](O)CN1 299749071 JCMDUZBHZCLYIQ-HRCADAONSA-N 387.402 0.918 0 50 GCAA Cc1nccn1-c1ccc(CNC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1565509841 SSTWWMQMIAPZFA-SJORKVTESA-N 389.481 0.461 0 50 GCAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@]2(C(=O)NCc2ccc3c(c2)CCO3)C1 1857682982 NUZYPNPIUYLGIR-QFBILLFUSA-N 393.509 0.784 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)CN1CCOC1=O 1857695109 UMXKUOPKXUHOPX-ARFHVFGLSA-N 397.472 0.378 0 50 GCAA Cn1ccnc1CN1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCC(=O)N2)C1 1857707503 BBFHTSITNICIPD-ASKKUZCQSA-N 387.484 0.423 0 50 GCAA O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857739319 IIQVSSPTOMNDRB-PMPSAXMXSA-N 386.452 0.127 0 50 GCAA O=C(O)c1cncc(-n2cc(COC3CN(C(=O)c4cncc(F)c4)C3)nn2)c1 1875324890 MYRHLKOELJRQKQ-UHFFFAOYSA-N 398.354 0.936 0 50 GCAA O=C(O)[C@H](Cc1ccc(O)cc1)NC[C@@H](O)Cn1cc(Br)cn1 2325851951 NVMGSMPMYAZXFA-KGLIPLIRSA-N 384.230 0.998 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@H]4C(=O)O)ccc3C2=O)C(=O)N1 2325896350 WTHYQAAATLCXKQ-CABCVRRESA-N 399.403 0.527 0 50 GCAA 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COc1ccccc1N1CC[C@@H](CNC(=O)c2nc(C)n(-c3nnc[nH]3)n2)C1 299589598 DBXNENQIWITBMI-ZDUSSCGKSA-N 382.428 0.959 0 50 GCAA C[C@H](Cn1cncn1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 299799544 RXNMZMKNIUQDHJ-CQSZACIVSA-N 377.470 0.884 0 50 GCAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2OCCN)C1 426530401 KDHUWHPHIDKMET-GFCCVEGCSA-N 377.420 0.804 0 50 GCAA O=C(NCCc1noc([C@@H]2CCCO2)n1)N1CCC(N2CCOCC2)CC1 670469196 FDRZMKDFIASMNO-HNNXBMFYSA-N 379.461 0.970 0 50 GCAA NC(=O)c1noc(CN2CCCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 1772706474 CRWUZDVECANCKC-AWEZNQCLSA-N 387.396 0.043 0 50 GCAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3CC2(CO)COC2)C1 1857527853 HRWWNGLIYOCTKS-QGZVFWFLSA-N 375.429 0.615 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2c2cnn(C)c2)CC1 1857699560 TUYBQKWUTXSGRG-OALUTQOASA-N 399.499 0.430 0 50 GCAA CCN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)CSC)[C@H]4CC[C@]3(C2)O4)[nH]1 1857712173 FOPRVLWYYIXSIL-HNSFDTNUSA-N 377.514 0.793 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)C3(C)COC3)[C@H]2c2cnn(C)c2)CC1 1857715620 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0.788 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)N2CCN(C3CCCC3)CC2)C[C@@H](C)O1 19595241 RXVLRUUXCMWWTN-IYBDPMFKSA-N 391.520 0.369 0 50 GCAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)CC1 55342643 JXSXULKMRJDYJZ-INIZCTEOSA-N 392.456 0.707 0 50 GCAA Cn1ccnc1CN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 67964967 NHCSVVBFZOOMEO-KRWDZBQOSA-N 375.517 0.955 0 50 GCAA O=C(NCC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1)c1ccccc1 72437841 IVDXJQVBRWRESK-UHFFFAOYSA-N 391.435 0.741 0 50 GCAA Cn1c(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc(=O)n(C)c1=O 77524191 WXMIXUPHRIXGMF-UHFFFAOYSA-N 384.480 0.865 0 50 GCAA CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 95376505 NVLDKMPCVBWOIK-NWDGAFQWSA-N 378.454 0.118 0 50 GCAA COc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1OC 95386033 OQEARFYFTAXASQ-QZTJIDSGSA-N 391.512 0.561 0 50 GCAA COCCN1CCN(Cc2cc3c(cc2OC)OCO3)[C@H]2CS(=O)(=O)C[C@H]21 95526737 BIMSCIFJMFMUNW-CABCVRRESA-N 398.481 0.354 0 50 GCAA C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 262475607 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COCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 4504306 XVGFLKMHNFRMDG-UHFFFAOYSA-N 386.470 0.867 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOc2cccnc2)c1 12191903 ABCYNOXLDXYCCG-LJQANCHMSA-N 398.463 0.976 0 50 GCAA NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ncccc2O)C3)cc1 67673925 MHWBBCBETWGPGW-UHFFFAOYSA-N 391.387 0.835 0 50 GCAA O=C(c1ccc(-n2cnnn2)cc1O)N1CCC[C@@H](N2CCC(CO)CC2)C1 72171416 BIFXBEWTXLEGLA-MRXNPFEDSA-N 386.456 0.677 0 50 GCAA CN[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(OC)c1)C2 77488021 OMCSSYJKOBNVAK-KRWDZBQOSA-N 375.469 0.617 0 50 GCAA COCCN(C)CCN1CC2(CCN(C(=O)c3cn(C)nc3C)CC2)OC1=O 77488430 OWLUZVMQAQKLEE-UHFFFAOYSA-N 393.488 0.734 0 50 GCAA COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3cccc(N(C)C)c3)C[C@@H]2C1 91574287 OSVBPJKOFMFEFT-JXFKEZNVSA-N 375.469 0.825 0 50 GCAA O=C(O)[C@@H](c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2nc[nH]n2)CC1 95368718 SQAOZKQSIVMMEE-OAHLLOKOSA-N 381.396 0.574 0 50 GCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1nc(O)c3ccccc3n1)C2 95378985 NYRWWSMFMLVSLB-UONOGXRCSA-N 383.452 0.960 0 50 GCAA Cc1c(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC3)c2)cnn1C 95500753 SMAKKZNVDXQOAB-HNNXBMFYSA-N 378.454 0.726 0 50 GCAA CC(C)[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1NS(=O)(=O)N(C)C 95521555 LPNVJTGUKLBVOC-LSDHHAIUSA-N 379.486 0.827 0 50 GCAA CCn1ccc(C(=O)N2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)n1 216466281 IMIGPOYWVKEKPV-CVEARBPZSA-N 377.445 0.271 0 50 GCAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCCN1CCOCC1 252549719 RTFAYBIWKMBYOX-OAHLLOKOSA-N 394.859 0.803 0 50 GCAA Cc1ccc([C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)N2CCOCC2)o1 253536327 NAANLSZOYZSVGR-AWEZNQCLSA-N 376.413 0.348 0 50 GCAA O=C(CN1CCOC[C@@H]1c1nc[nH]n1)Nc1cc(-n2cnnn2)ccc1Cl 375284733 SUBBYKXSRBKHKZ-CYBMUJFWSA-N 389.807 0.446 0 50 GCAA Cn1cc(-c2noc([C@H]3CCc4nnn(C5CCC5)c4C3)n2)c(=O)n(C)c1=O 952892606 FLJDXRNRXDRUDM-JTQLQIEISA-N 383.412 0.723 0 50 GCAA O=C(NCC(=O)N1CCc2c(O)ncnc2C1)c1ccc(Br)o1 1324626473 VJIIFOCBJHFMMP-UHFFFAOYSA-N 381.186 0.852 0 50 GCAA Cc1ncc(-c2nnc3n2C[C@]2(CCN(C(=O)c4cnccn4)C2)OC3)c(C)n1 1857703605 OOTMSGVOLKYNTK-LJQANCHMSA-N 392.423 0.957 0 50 GCAA Cc1ccc2nnc(CNc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)n2c1 1875398630 ZMVJFFBAOGORMI-HUUCEWRRSA-N 382.472 0.941 0 50 GCAA CCN1CCOC[C@H]1C(=O)N[C@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)OC)[nH]1 2325861586 UOWNHSZSXFEKHR-WWGRRREGSA-N 392.456 0.289 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCC[C@H](O)C4)ccc3C2=O)C(=O)N1 2325897383 VSHBUANPQOEKNR-DZGCQCFKSA-N 386.408 0.436 0 50 GCAA O=C1CC[C@H](N2C(=O)C=C(N3CC[C@@H](OCc4ccccc4)C3)C2=O)C(=O)N1 2325900254 RCIBMVJGYCPQBU-CABCVRRESA-N 383.404 0.335 0 50 GCAA CC(=O)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O 4334908 QRIHCNASFWJWJB-HBNTYKKESA-N 391.174 0.081 0 50 GCAA in-vitro COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(O)CC2)cc1C 11947561 OTDFLAXKYCVRCN-QGZVFWFLSA-N 375.469 0.677 0 50 GCAA Cn1ncc(N2CCN(C(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)cc1=O 19113216 FMJGKHNAFPDXSO-LJQANCHMSA-N 382.468 0.661 0 50 GCAA Cc1cncc(C(=O)N2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77455817 ZLGNZQHEYGPGBX-MSOLQXFVSA-N 386.477 0.909 0 50 GCAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 91451972 HEFDAWBFDWOYOE-QWHCGFSZSA-N 376.482 0.955 0 50 GCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)Nc2ccccc2-n2cccn2)C1 95507136 JAMUPRQPCZWKCE-ZDUSSCGKSA-N 379.442 0.654 0 50 GCAA Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 212717342 BFOQFZFJNUPNPO-CVEARBPZSA-N 379.482 0.908 0 50 GCAA Cn1c(=O)c(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)cc2ccccc21 216189248 WGABKNILUGPILR-ZDUSSCGKSA-N 377.466 0.940 0 50 GCAA COC(=O)c1cc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)cnc1C 242242290 XTOOMLZGJNQHST-UHFFFAOYSA-N 375.366 0.920 0 50 GCAA O=C(NC[C@H](N1CCNCC1)C(F)(F)F)c1cccc(C(=O)N2CCCC2)n1 261862097 NIIRVFFBVVNTFF-HNNXBMFYSA-N 399.417 0.884 0 50 GCAA COc1cc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)c(Cl)cc1C(=O)O 278645700 JJFISKSEXJGBKD-HNNXBMFYSA-N 388.829 0.948 0 50 GCAA NS(=O)(=O)c1cc(F)cc(C(=O)N2CC[C@@H](C(=O)O)C2)c1Br 299740815 BWUQQLLZLPQJNU-ZCFIWIBFSA-N 395.206 0.782 0 50 GCAA Cn1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)n1 332780720 VULNFFXWWKNRPK-ILXRZTDVSA-N 388.472 0.616 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cn1C 408106137 JNPDZWZVZCMDPW-WFASDCNBSA-N 394.497 0.549 0 50 GCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc3c(nc1O)CCCC3)C2 1704308778 JQOGXMPSKVZTCI-JSGCOSHPSA-N 375.425 0.523 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)CCOc3ccccc3)C[C@H]2CO1 1857694293 JUMYXKYXJWKDFV-RYRKJORJSA-N 375.469 0.892 0 50 GCAA CS(=O)(=O)CCC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857720031 ATAJGDAWMWDQOP-WMZOPIPTSA-N 397.497 0.117 0 50 GCAA COC(=O)CNC(=O)[C@H]1CC[C@@H](NC(=O)c2c(C)ncnc2C)[C@H](OC)C1 1875243074 ORRAUKTYDLIIFG-BFHYXJOUSA-N 378.429 0.296 0 50 GCAA C[C@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1ccc2c(c1)OCC(=O)N2 1875399705 HSBTXIKTAXRKGZ-GXTWGEPZSA-N 399.451 0.344 0 50 GCAA N=c1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)c[nH]1 2356140550 MGAPOUSYKCWPEJ-FOIQADDNSA-N 381.436 0.659 0 50 GCAA CCCCS(=O)(=O)NCc1cc(CNC(=O)c2c[nH]c(=O)cn2)ccn1 2356149025 FUOSDVARBVOFAS-UHFFFAOYSA-N 379.442 0.314 0 50 GCAA Cc1ccc(N(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)S(C)(=O)=O)cc1 55309473 NCLWQDDTQUQKHS-KRWDZBQOSA-N 389.477 0.974 0 50 GCAA O=C1OCCN1CCN1C(=O)N[C@@](Cc2ccccc2)(C2CCNCC2)C1=O 67872858 JSLWBUWNEQLGPK-FQEVSTJZSA-N 386.452 0.972 0 50 GCAA CCn1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1 95502442 NMHVCEFWWUFISK-UHFFFAOYSA-N 386.456 0.789 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)NCCn1ncc2ccccc2c1=O 95513086 ZEEHJMYHOUIEPP-UHFFFAOYSA-N 384.444 0.040 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N[C@@H]1COC2(CCCCC2)C1 95525932 KWKHXTHNURIXJU-HNNXBMFYSA-N 378.477 0.503 0 50 GCAA C[C@H](NC(=O)Cn1nnnc1CN1CCc2ccccc2C1)c1nncn1C 95526210 CKQKBGDJLULBPF-ZDUSSCGKSA-N 381.444 0.237 0 50 GCAA Cc1nc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccco3)CC2)c2cnn(C)c2n1 114398758 OLXLMPSNPKMYRP-LBPRGKRZSA-N 397.439 0.732 0 50 GCAA CC(C)[C@H](C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)N1CCCC1=O 225523068 PBVIPIDOYATRQM-MRXNPFEDSA-N 385.472 0.659 0 50 GCAA COc1cncc([C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]2C[C@H](O)C2)c1 244574791 CRNDCOQIRRVLFN-IXPVHAAZSA-N 376.413 0.349 0 50 GCAA COc1cn(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c(C)cc1=O 253402751 GQONHIWFTVRAHK-UHFFFAOYSA-N 382.413 0.895 0 50 GCAA COCC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1 268246763 OMZNZQGNXBNUHK-OAHLLOKOSA-N 376.457 0.774 0 50 GCAA CC1(C)COCCN1C(=O)c1cnc(C2CCN([C@H]3CCNC3=O)CC2)o1 888103317 VMRSZRKZZNXVID-AWEZNQCLSA-N 376.457 0.994 0 50 GCAA CNS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2c(C)noc2C)s1 1506427299 LIGKDFPLNJFPAS-UHFFFAOYSA-N 379.485 0.847 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N[C@H]2CC[C@@H](N)CC2)cc1OC 1529171994 BUTIHPVEFQUFHO-OBQMCUGOSA-N 377.441 0.646 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1O 1529186641 JIFODQHSFLZMFQ-YOEHRIQHSA-N 382.461 0.696 0 50 GCAA O=C(N[C@H]1CC[C@H](C(=O)N2CCCC2)C[C@@H]1O)c1cc(N2CCOCC2)no1 1857685597 ZFNXNSDCSNVLDL-KKUMJFAQSA-N 392.456 0.393 0 50 GCAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@H]2CN(Cc3ncc[nH]3)C[C@]2(CO)C1 1857704069 CIKJFNGFWFRHMJ-QVKFZJNVSA-N 398.511 0.897 0 50 GCAA CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1857705528 LGHVMPRBHUUKSM-NTDBWNAOSA-N 387.484 0.706 0 50 GCAA CNC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)C1 1875269249 PECVUHREBRVQDC-ILXRZTDVSA-N 388.472 0.434 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)CCCc1cn[nH]c1 2100544785 JKDXBABCMPJIKF-ARFHVFGLSA-N 393.488 0.414 0 50 GCAA CNC(=O)c1cc(NC(=O)[C@@H]2CNC[C@H](C(F)(F)F)O2)cc(C(=O)NC)c1 2325872606 GGPLLGLYPPRILX-NWDGAFQWSA-N 388.346 0.264 0 50 GCAA CC(C)(C)[C@@H](CC(=O)N1CCN(C(=O)CNC(N)=O)C[C@@H](O)C1)C(F)F 2325878618 WGEGCNPGMQHAKL-QWRGUYRKSA-N 378.420 0.004 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NCC[C@H]4CCCNC4)ccc3C2=O)C(=O)N1 2325896419 YFDCYDWCPHYTPV-DYVFJYSZSA-N 398.463 0.567 0 50 GCAA CO[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1 2332237931 QYYJDTPTABCRDC-YUSALJHKSA-N 398.403 0.272 0 50 GCAA O=C(COc1ccccc1)N1CCCN(C(=O)C23C4C5C2C2C3C4C52CO)CC1 2332239236 SWLGEDMUSCOURL-UHFFFAOYSA-N 394.471 0.857 0 50 GCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 12707451 YWAKCXHPBWAPTG-OAHLLOKOSA-N 376.457 0.411 0 50 GCAA O=C(O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)CC1 16648835 PEEBAAISDQDMTP-UHFFFAOYSA-N 388.467 0.706 0 50 GCAA C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(C(N)=O)CC1 71376025 DQPZPTXULWHEPB-GFCCVEGCSA-N 383.470 0.574 0 50 GCAA Cc1ccoc1C(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72411442 PTZIWSZCSGJSTG-CABCVRRESA-N 389.433 0.747 0 50 GCAA CCOCCn1nc(C)cc1C(=O)N1CCN(CC)[C@@H]2CS(=O)(=O)C[C@@H]21 77343141 PEQVFZQPBDXHFO-CVEARBPZSA-N 384.502 0.171 0 50 GCAA COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1c(O)n2ccccc2nc1=O 205956168 GEDRREHBKQMUDS-AWEZNQCLSA-N 397.387 0.959 0 50 GCAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCN(C(=O)c2ccccn2)CC1 264838801 ZCMAQRWJAVNOIB-CYBMUJFWSA-N 399.373 0.712 0 50 GCAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2(C)CCN(C)CC2)[C@@H](C)O)cc1 272903828 CJBVBUWVBDTGTP-WBVHZDCISA-N 397.541 0.871 0 50 GCAA COc1cc(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)cc(-n2cnnn2)c1 952868653 CCUWCOIGXQOVOX-BJHJDKERSA-N 383.416 0.957 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(-n2ccnc2)cc1 1704297652 DLAPYRAPPBKWFW-GOEBONIOSA-N 378.454 0.509 0 50 GCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(O)nc3cc(F)ccc13)C2 1704312992 DEHRAAMTLXHLHG-AAEUAGOBSA-N 389.383 0.937 0 50 GCAA O=C(C1CCOCC1)N1C[C@@H]2CN(CCn3cc(Cl)cn3)C[C@@]2(CO)C1 1772710343 QCFXKIIYANIYSH-YJBOKZPZSA-N 382.892 0.716 0 50 GCAA Cc1cnccc1C(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1775991915 OQPDPYCZOUVKQX-GOEBONIOSA-N 399.451 0.395 0 50 GCAA CCOC(=O)c1[nH]cnc1C(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2CC)C1 1857726764 BDWHCEXGXSDIHI-SRVKXCTJSA-N 392.412 0.211 0 50 GCAA Cc1cnn(CC(=O)N2CC[C@H]([C@@H]3CCCN(C(=O)Cc4n[nH]c(C)n4)C3)C2)c1 1875322512 VNKBSAVAIXSZBH-SJORKVTESA-N 399.499 0.948 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@@H]1NC(=O)c1[nH]nnc1C 2100545504 SNSPVQJTSPILIT-KKUMJFAQSA-N 379.461 0.666 0 50 GCAA Cc1[nH]nc2ncc(C(=O)NCC[C@H]3CCN(C(=O)CCc4nc[nH]n4)C3)cc12 2325786920 BITJVVPCKGHPKO-ZDUSSCGKSA-N 396.455 0.986 0 50 GCAA C[C@H](NC(=O)c1ccn(Cc2nc(=O)o[nH]2)n1)c1ccc2c(c1)NC(=O)CO2 2325821937 NSTWZNHYTJRZHF-VIFPVBQESA-N 384.352 0.430 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cc3n(c2)CCCNC3=O)c1 2325862743 GORZRBVZACZUGI-UHFFFAOYSA-N 398.423 0.871 0 50 GCAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)c4ccon4)CC3)C2)CC1 71589429 OCBUGPRMBWHBOB-INIZCTEOSA-N 389.500 0.765 0 50 GCAA C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 72116006 CVMVXEUBVPXVOQ-IYBDPMFKSA-N 388.578 0.989 0 50 GCAA O=C1CN(C(=O)[C@H]2CCC(=O)N(C3CC3)C2)CCN1Cc1ccc2c(c1)OCO2 91656863 MXFMLVAMOJMNQY-HNNXBMFYSA-N 399.447 0.987 0 50 GCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95373695 WKIJJKAGPDYJFI-GVDBMIGSSA-N 382.420 0.471 0 50 GCAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1cnn(C)c1 95386466 OUMWDXNDTHLOMF-CYBMUJFWSA-N 378.454 0.932 0 50 GCAA CO[C@]1(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CCOC1 170596037 KMPKTLLJHOSSFI-KRWDZBQOSA-N 399.469 0.187 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCCN(C(=O)c3ccoc3)CC2)CCC1=O 215126605 QFPRACZDFGXPCC-HNNXBMFYSA-N 377.441 0.839 0 50 GCAA COC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 273509257 SOJKWSODLNDLKT-INIZCTEOSA-N 398.481 0.904 0 50 GCAA O=C1N[C@H](CCC(=O)N2CCN(c3cnccn3)CC2)C(=O)Nc2ccccc21 334161080 SKRTXAVOZJVISO-MRXNPFEDSA-N 394.435 0.656 0 50 GCAA C[C@]1(C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)NC(=O)NC1=O 365935565 YJDYEJRCKVWCLL-LJQANCHMSA-N 388.424 0.706 0 50 GCAA COC(=O)c1cn([C@H]2CN[C@H](C(=O)NCc3ccc4ccccc4n3)C2)nn1 824220750 WZSLUEMIJVWCCX-ZBFHGGJFSA-N 380.408 0.832 0 50 GCAA O=C(NS(=O)(=O)C[C@@H]1COCCO1)c1ccc(O[C@@H]2CC2(F)F)cc1 888100334 XJVQUSRBYSTCTI-QWHCGFSZSA-N 377.365 0.948 0 50 GCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccccc1OCCN1CCOCC1)C2 1704312781 ZHVYQZBNHMFOSC-MSOLQXFVSA-N 375.469 0.344 0 50 GCAA COc1ccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)CO3)C2)c2c1CCCC2 1772819408 KWYMGMQKSSGAMK-GOSISDBHSA-N 380.466 0.854 0 50 GCAA CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)c(OC)c[nH]1 1857695067 SAVBLJOBCUOKJW-LAQFHYBYSA-N 397.497 0.954 0 50 GCAA CN(CCn1cc(C(=O)N2CCSCC2)nn1)C(=O)c1ccc(O)cc1 67908958 LHCGUZGFTUXILR-UHFFFAOYSA-N 375.454 0.945 0 50 GCAA COC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCNCC3)c2)C1 95382655 SWDKYCOFDHJIRQ-HNNXBMFYSA-N 381.498 0.779 0 50 GCAA O=C(NCCCn1cncn1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 215711062 MZXKQJVHQWNLEN-AWEZNQCLSA-N 379.442 0.165 0 50 GCAA Cc1cc(C)n(CC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c(=O)n1 426571859 XIHMUMHLALAIHV-IAGOWNOFSA-N 389.456 0.217 0 50 GCAA COc1cccc(N2C[C@H](NC(=O)N3CCN(c4nncn4C)CC3)CC2=O)c1 888093930 JSYIGVPHKUJQIM-CQSZACIVSA-N 399.455 0.461 0 50 GCAA NC(=O)CN1CCC[C@H](C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)C1 952979378 ILUFYEAARBFMBL-XKQJLSEDSA-N 379.432 0.676 0 50 GCAA Cn1ccc(NC(=O)CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)n1 1565526884 SHXDUHRTRXLFPM-KXBFYZLASA-N 375.473 0.444 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCCN(C(=O)c3cscn3)CC2)C1=O 1772707919 YYQBNEDBQUIXHF-UHFFFAOYSA-N 379.442 0.148 0 50 GCAA CC(=O)N1CCC(N[C@@H]2C[C@@H](C(=O)NCCc3cnc[nH]3)CC[C@H]2O)CC1 1857682307 UZYOAIJZCFEUEW-BMGDILEWSA-N 377.489 0.199 0 50 GCAA CCc1nnc(N2C[C@H](C(=O)N3CCC(N4CCOCC4)CC3)CC2=O)s1 1857711227 OUZSTDXMSMWIID-CYBMUJFWSA-N 393.513 0.777 0 50 GCAA CC[C@H]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(C(=O)c3cc(C)n(C)n3)CC(=O)N21 1857729587 QLXIRQKTOOFCCV-ZOBUZTSGSA-N 387.484 0.706 0 50 GCAA Cn1nc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c2c1CCNC2 2325795658 RYAMVNKPJXNDGT-OAHLLOKOSA-N 383.452 0.915 0 50 GCAA COc1cc(F)ccc1C(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 23153296 MVARFBDQJMWLDE-OAHLLOKOSA-N 390.415 0.953 0 50 GCAA O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)NCCCN1CCOCC1 23338386 WVHDLNHRNSQSJA-SFHVURJKSA-N 380.533 0.596 0 50 GCAA CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)s1 23507038 OKJJCVWJLYEQEQ-SNVBAGLBSA-N 376.438 0.482 0 50 GCAA CCn1c(CC2CCN(C(=O)c3cc(OC)nc(OC)n3)CC2)n[nH]c1=O 65408244 QVAINKHNYMGESZ-UHFFFAOYSA-N 376.417 0.493 0 50 GCAA CN(CCCn1cccn1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67909967 XVNSSEPMNMYRSU-UHFFFAOYSA-N 384.483 0.999 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)Cc1ccccc1)CCN2CC1CC1 77485690 BEPWPQNUAKUTOZ-SJORKVTESA-N 384.523 0.710 0 50 GCAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCS(=O)(=O)N1CCOCC1 140832614 IKDKGONLEUZAKR-RCDYEMGKSA-N 386.514 0.486 0 50 GCAA Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CN)C2)c1 215158087 FBXGPVCQURPZJK-AWEZNQCLSA-N 391.497 0.362 0 50 GCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cccc(OCC(N)=O)c1)C2 247554489 WXXHEBWMRFKWTE-OCCSQVGLSA-N 381.454 0.047 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2coc3ccccc3c2=O)C[C@H]1O 299795977 MOPMELVTCDZKNS-HUUCEWRRSA-N 381.454 0.124 0 50 GCAA Cn1cc(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCNC2)c(=O)n(C)c1=O 328644100 RRVWYBGUERIJBX-FGTMMUONSA-N 382.464 0.578 0 50 GCAA Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCC[C@H]1CN1CCOCC1 464311411 FMZLCVWTHAWEIQ-HNNXBMFYSA-N 398.467 0.813 0 50 GCAA Cc1nncn1CCN1C[C@@H]2CN(C(=O)Cc3cccc(O)c3)C[C@@]2(CO)C1 1772807665 QVGOSTDMYILULG-YLJYHZDGSA-N 385.468 0.288 0 50 GCAA NC(=O)NCC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696662 KOQCGWXEAVLBFC-IBGZPJMESA-N 382.424 0.719 0 50 GCAA CC[C@H]1[C@@H](C(=O)NCc2ccccn2)C[C@H]2CN(C(=O)c3ccon3)CC(=O)N21 1857714393 SLAASYHFTBWLDN-ZOBUZTSGSA-N 397.435 0.838 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cnnn3-c3ccccc3)CCO2)n1 1857736733 SSXFPSIRTOCCEC-OAHLLOKOSA-N 384.400 0.114 0 50 GCAA O=C(CCn1cccn1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857739291 NSCXJTLMPVCAPW-ICSRJNTNSA-N 385.468 0.969 0 50 GCAA N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Cc3csc(-c4ccccc4)n3)C[C@@H]12 1857739430 JRAKUMCUQVMFBN-ZNMIVQPWSA-N 377.491 0.935 0 50 GCAA Cn1cc(C(=O)NC[C@H](NC(=O)c2nc[nH]c3ncnc2-3)C(C)(C)C)nc1O 1875344111 DSNIIURGYYPQLV-JTQLQIEISA-N 386.416 0.318 0 50 GCAA CC(C)Cc1nc(=NC[C@@H]2C[C@H](C(=O)N[C@@H]3CCC(=O)N(C)C3)CO2)s[nH]1 2332237758 KLZVKFVALSLZQX-MJBXVCDLSA-N 395.529 0.713 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)cn23)n(C)c1=O 4250552 PPGPXLMWAVFUAI-UHFFFAOYSA-N 381.392 0.928 0 50 GCAA Cc1nc(C)n(CCNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n1 67723049 PCZYGIHIKGGTPI-UHFFFAOYSA-N 385.471 0.279 0 50 GCAA O=C(O)c1cccc([C@@H]2CCCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C2)c1 95352283 WUSBFARJAPRASH-GFCCVEGCSA-N 379.394 0.330 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSc1ccccn1)C2 95368833 FELCFOMEWPVPLP-UONOGXRCSA-N 384.527 0.903 0 50 GCAA CS(=O)(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc4[nH]cnc4c3)C[C@@H]2C1 95377321 NOCCBWILTIPECG-CXAGYDPISA-N 378.454 0.421 0 50 GCAA CCNC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 170602097 XVAWJXODPLTWIY-CYBMUJFWSA-N 386.412 0.694 0 50 GCAA CN(c1ccn(C)n1)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 274964483 VMAGOMKNSIYYAY-NSHDSACASA-N 378.410 0.683 0 50 GCAA CC(C)c1ccnc(N2CCN(c3cc(N4CCN(C)C(=O)C4)ncn3)CC2)n1 302421633 JMBINVACNRFMPF-UHFFFAOYSA-N 396.499 0.995 0 50 GCAA Cn1ccnc1CN1CCC2(CC1)CN(C(=O)c1cnc(N)s1)CCO2 827590694 YWPRPGYDFVPLJM-UHFFFAOYSA-N 376.486 0.966 0 50 GCAA CO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 863667109 LALJIWGXYMDHMW-MGPQQGTHSA-N 394.449 0.917 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@@H]1O 1615738298 WBYGPYDQPWUXKJ-CJNGLKHVSA-N 378.454 0.197 0 50 GCAA O=C(N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1)C1(CO)CNC1 1857714340 ZMJFCEPPWYDTFH-FQEVSTJZSA-N 395.463 0.633 0 50 GCAA CC1(C(=O)N2CCO[C@@H]3CC[C@H](C(=O)NCCCn4ccnn4)C[C@H]32)CC1 1940194915 CBMXECJTQJRUDL-ARFHVFGLSA-N 375.473 0.981 0 50 GCAA CN(C)CCOc1ccc2c(=NC(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)[nH][nH]c2c1 2100547190 CXJYKIQXIUXCTP-GFCCVEGCSA-N 399.455 0.022 0 50 GCAA COC12CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)[C@@H](O)c3ccnn3C)(CC1)C2 2325828325 DPKKXXUNPMZHOG-NGWYPBGASA-N 390.484 0.956 0 50 GCAA CO[C@@H](C(=O)NCC1CN(C(=O)c2c(C)nn3ccccc23)C1)[C@@H]1CCOC1 2325828688 OFCUFAWZPKGNID-CRAIPNDOSA-N 386.452 0.882 0 50 GCAA O=C(CN1CCC[C@@H](n2ccc(O)nc2=O)C1)Nc1ccc2nc(O)[nH]c2c1 2325850973 MEZRZXFEBCRUHF-GFCCVEGCSA-N 384.396 0.806 0 50 GCAA O=C(CCn1cnnc1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356158780 ZFHACNDKKOOMLP-BXWFABGCSA-N 375.473 0.955 0 50 GCAA O=C(CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)NC1CC1 55214328 PPNZZAOJRQFING-UHFFFAOYSA-N 379.360 0.536 0 50 GCAA O=C(CCn1cnnn1)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 82108289 GAJGHDMKFXFJGA-IBGZPJMESA-N 383.456 0.890 0 50 GCAA CN(CCO)C[C@@H]1CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C[C@@H]1CO 91351182 UGHCORUSIKTDAD-ZIAGYGMSSA-N 378.448 0.626 0 50 GCAA CN(C)CCN1C[C@H](C(=O)N(C)Cc2nc(-c3ccncc3)no2)CCC1=O 91893586 PPBCRVHCNWJUPT-OAHLLOKOSA-N 386.456 0.890 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cnc(N3CCOCC3)nc1)C2 95366445 BXJKOQDFQQPLTJ-GDBMZVCRSA-N 381.502 0.169 0 50 GCAA Cn1cc(S(=O)(=O)NC[C@]2(C)CCCc3ccccc32)c(=O)n(C)c1=O 181428243 KEJUTKYRPHIGAL-SFHVURJKSA-N 377.466 0.657 0 50 GCAA O=C(NCCCn1cccn1)c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1 215051073 CGBFPYIIQWPVMX-OAHLLOKOSA-N 377.470 0.343 0 50 GCAA C[C@H](N)[C@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 237437134 JLGMUESGGNNXCQ-UWVGGRQHSA-N 397.277 0.478 0 50 GCAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)N[C@H](CO)C(C)C)N=C2O)cc1 252570429 WSTLIFIMYYGNJK-HZPDHXFCSA-N 377.441 0.886 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccc3c2OCCO3)C1=O 328610289 HFFQFMDLKOITLW-LBPRGKRZSA-N 392.437 0.665 0 50 GCAA Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)nc([C@H](C)N2CCN3C(=O)CC[C@H]3C2)n1 329448677 LNSKZFDFVRVVFO-YESZJQIVSA-N 398.511 0.964 0 50 GCAA NCCOc1ccc(F)cc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 426387331 UMTYXKDFKLTHND-AWEZNQCLSA-N 379.432 0.874 0 50 GCAA NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nnc(N)s2)CC1 827909592 MQHKQRKYYDJCRM-UHFFFAOYSA-N 384.531 0.545 0 50 GCAA O=C1C[C@@H](C(=O)N2CCC(c3nccc(-c4cncnc4)n3)CC2)NC(=O)N1 952892206 FOACAMZHUABHQT-AWEZNQCLSA-N 381.396 0.238 0 50 GCAA Cn1cc(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2NS(C)(=O)=O)c2ccccc21 1565525248 PYUYBSORTGNFKB-NBMRYCAZSA-N 377.466 0.542 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)C[C@@H]1O 1616079340 MVRCJOMYEFQSGV-KDOFPFPSSA-N 385.505 0.979 0 50 GCAA Cc1cc(CN2C[C@@H]3CN(C(=O)c4cn5cccnc5n4)C[C@]3(CO)C2)on1 1772812456 LSQYTQUIGKBHJK-KUHUBIRLSA-N 382.424 0.592 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)C[C@@H]12 1857731319 POTQMKPJFFFFKL-XHSDSOJGSA-N 375.454 0.067 0 50 GCAA CN1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)Cc2c[nH]c3cnccc23)CCO1 1875332517 WASUXLSMKPZQBR-MAUKXSAKSA-N 385.468 0.543 0 50 GCAA CC1(C)[C@@H](CN)C[C@H](C(=O)NCc2nc(O)c3ccccc3n2)S1(=O)=O 1875359391 BPEMCJMADISNKA-ZWNOBZJWSA-N 378.454 0.492 0 50 GCAA COc1nc2ccccc2nc1CCC(=O)N1CCO[C@H](c2nnnn2C)C1 2100545338 PQRRWNPECYJTDU-HNNXBMFYSA-N 383.412 0.695 0 50 GCAA COc1ccccc1CNC(=O)CN1CCC[C@]12CCCN(CCO)C2=O 2356151645 RHYXNSFJCVSIDW-FQEVSTJZSA-N 375.469 0.761 0 50 GCAA Cc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1 11970918 WWLZAIMCEXUUKW-KRWDZBQOSA-N 397.479 0.867 0 50 GCAA Cc1cccnc1CN1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1 12307841 YPIZVUJTEIRHPE-UHFFFAOYSA-N 386.504 0.561 0 50 GCAA O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)N1CCOCC1 65364271 JQDYCIAOBIZKCV-UHFFFAOYSA-N 377.788 0.545 0 50 GCAA O=C(c1ccc(NCc2n[nH]c(=O)[nH]2)nc1)N1CCCN(c2ncccn2)CC1 67539848 IYBYRQXKELPUDP-UHFFFAOYSA-N 395.427 0.248 0 50 GCAA CC(=O)NC1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1 72418146 QNMWSNRJNVYDRX-CYBMUJFWSA-N 381.502 0.452 0 50 GCAA O=C(NC[C@@H]1CCCN(C(=O)Cc2cc(=O)[nH]nc2O)C1)c1cccs1 95505792 YNBHYDLFWJLFEI-NSHDSACASA-N 376.438 0.748 0 50 GCAA COc1cc(C(=O)NCc2n[nH]c(N)n2)ccc1OC1CCN(C(C)=O)CC1 95526748 YTGWGBWIXHNNLR-UHFFFAOYSA-N 388.428 0.715 0 50 GCAA CC(C)N1CCC[C@@H](N2CCN(c3ccccc3S(N)(=O)=O)CC2)C1=O 190294456 UBIAENJHUMWCJK-MRXNPFEDSA-N 380.514 0.855 0 50 GCAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC)c(OC)c1 253470722 BKZFNWRQSNLQMK-LLVKDONJSA-N 377.397 0.833 0 50 GCAA C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CC(=O)O)C1CCN(S(C)(=O)=O)CC1 328640820 QFJJJOHNVIRRFK-PXAZEXFGSA-N 396.465 0.888 0 50 GCAA CCNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1 459194840 NQLIVOZPSRVVCJ-HZPDHXFCSA-N 394.497 0.747 0 50 GCAA NC(=O)Cn1cc(-c2cccc(C(=O)NCCN3CCCC[C@H]3CO)c2)cn1 534585823 LFEUPLLHBAIVEX-SFHVURJKSA-N 385.468 0.612 0 50 GCAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCc2nc(-c4cccnc4)no2)[C@@H]3C1=O 670456441 AXUDXRSIMYYNIT-FIIQBIKZSA-N 381.392 0.202 0 50 GCAA CC[C@@H]1CCCN1C(=O)C(=O)N1CCc2nnc(N3CCCOCC3)cc2C1 952890880 LPDYFRRAWNSXSX-MRXNPFEDSA-N 387.484 0.989 0 50 GCAA COC[C@H]1[C@H](NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H]2CCO[C@H]21 1074620609 OIRKDJMGGMOLSC-CYGHRXIMSA-N 382.482 0.927 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCC(O)CC3)CC2)cc1 1506400946 LRNYFXYHRAIVKG-UHFFFAOYSA-N 381.498 0.656 0 50 GCAA CC(C)c1cncnc1N1CC[C@]2(O)CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 1616106812 UGHQVWLDFIPWOE-YOEHRIQHSA-N 383.518 0.670 0 50 GCAA Cc1nc2ccccc2n1CC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704338581 VGQVVEHNLBUUGH-ZFWWWQNUSA-N 380.470 0.367 0 50 GCAA COc1ccc(F)c(F)c1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704344197 QOVHJXFHDKLENF-GXSJLCMTSA-N 378.397 0.610 0 50 GCAA N[C@@H](CO)C(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCC3CC3)sc12 1857682961 SGNMWKKRGYXWAA-AWEZNQCLSA-N 393.509 0.598 0 50 GCAA O=C(Cc1cccnc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccn3)C[C@@H]12 1857688026 PUFCTPPQTXUUNL-KSZLIROESA-N 386.477 0.433 0 50 GCAA Cc1nnc2n1C[C@@]1(CCN(C(=O)Cn3ncc4ccccc4c3=O)C1)OC2 1857714609 YPIGEQBDEFDKNN-IBGZPJMESA-N 380.408 0.498 0 50 GCAA O=C(NC1(CNC(=O)C2(n3cnnn3)CCOCC2)CCC1)C1(CCF)CC1 1875329127 GUTMAUOVJACAOI-UHFFFAOYSA-N 394.451 0.474 0 50 GCAA Cc1[nH]nc(C(=O)N[C@H]2CCCN(C(=O)COc3cnn(C)c3)C2)c1Cl 1875362223 WNGSCRLALLSLBS-NSHDSACASA-N 380.836 0.905 0 50 GCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C2)n1 2325759954 YGHCCCVUCPIBOP-ZWKOTPCHSA-N 397.479 0.631 0 50 GCAA Cc1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 4741977 FKAJTRMWEICRSD-UHFFFAOYSA-N 386.437 0.881 0 50 GCAA CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)O 4792363 NDHFKCIMCJAZTR-CQSZACIVSA-N 379.413 0.645 0 50 GCAA CC(C)CC(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN2CCOCC2)C1 20536550 LSYMYQZHHOIOLJ-HNNXBMFYSA-N 378.477 0.359 0 50 GCAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCOC)cc2OC)CC1 20601727 ZAKHFJVBWYYOLB-GOSISDBHSA-N 381.517 0.808 0 50 GCAA O=C(NCc1cccnc1N1CCOCC1)[C@@H](c1ccccc1)n1cnnn1 67852185 YDNDJFXTNGSZGX-QGZVFWFLSA-N 379.424 0.811 0 50 GCAA CN(CC(=O)O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 71764642 UBZIEABHSDIEHV-CQSZACIVSA-N 391.424 0.289 0 50 GCAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4c[nH]c(=O)[nH]4)C3)CCC2=O)cn1 91595776 ZXZKGYOIJUZMKL-LJQANCHMSA-N 384.440 0.846 0 50 GCAA CN(Cc1cnccn1)C(=O)c1cccc(S(=O)(=O)N2CCNCC2)c1 95354895 NHMUPRRCRBGOOZ-UHFFFAOYSA-N 375.454 0.343 0 50 GCAA CNCCNC(=O)c1cccc(S(=O)(=O)NCc2ccc3nonc3c2)c1 97655576 QSUZWQUYUZRIQZ-UHFFFAOYSA-N 389.437 0.651 0 50 GCAA Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)C2=O)cc1 225669755 LWXNKDZQLBKKSJ-MRXNPFEDSA-N 389.481 0.830 0 50 GCAA CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1c(C)nn(C)c1C 274767001 SNBCWXALDKNEOY-UHFFFAOYSA-N 384.483 0.696 0 50 GCAA COc1cccc(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c1C 299766386 NTCITZKKVMJHFX-UHFFFAOYSA-N 378.454 0.905 0 50 GCAA Cc1cccc(N(CC(=O)NCC2CCS(=O)(=O)CC2)S(C)(=O)=O)c1 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O=C(Cn1ncc2ccccc2c1=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1772705346 MMXOHLUTOYZDRS-MRXNPFEDSA-N 384.436 0.494 0 50 GCAA COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857683534 IQJJRVNIPUHVMZ-DZKIICNBSA-N 397.497 0.294 0 50 GCAA O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)Cn1c(CCCO)nnc1CO2 1857686796 IHCVSZMFKMJJGA-IBGZPJMESA-N 386.408 0.747 0 50 GCAA CC(=O)NCCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857709937 ZDIIMEVWZSTCDX-HKUYNNGSSA-N 377.489 0.701 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)C[C@@H]1O 1857718973 BYLQYEZXAMGXAU-WFASDCNBSA-N 396.444 0.540 0 50 GCAA CCc1nnc(N2C[C@@H](C(=O)N3CCC(N4CCOC4=O)CC3)CC2=O)s1 1857726325 LWOIZQCGAXBBDI-NSHDSACASA-N 393.469 0.897 0 50 GCAA O=C(NCC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C1)C1CC1 1875321980 DGZIIJBWXOIXLG-JKSUJKDBSA-N 387.484 0.566 0 50 GCAA Cc1cc(N)n(CC(=O)N[C@H]2CC[C@H](C(=O)N(C)Cc3ccon3)C[C@@H]2O)n1 2100557216 POHMYNQEMWZDOI-QEJZJMRPSA-N 390.444 0.066 0 50 GCAA O=C(COc1ccon1)N=S1(=O)CCC2(CC1)CN(C(=O)C1CC1)CCO2 2325785202 JYQUDEVXBWWWLF-UHFFFAOYSA-N 397.453 0.849 0 50 GCAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCn1cc(Br)c(O)nc1=O 2325804791 QKYLKYLWXXCNDA-CABZTGNLSA-N 385.262 0.700 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(CN=c4[nH]cnc5c4CCC5)cc3C2=O)C(=O)N1 2325898156 VKXKTXIMYJCVLW-QGZVFWFLSA-N 391.431 0.760 0 50 GCAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cn(CCN2CCOCC2)nn1 19835634 QCAJLBPODSULGI-OAHLLOKOSA-N 387.440 0.570 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3nonc3C)CC2)C1 71730566 VKFGWILGGTXQKI-CQSZACIVSA-N 379.461 0.457 0 50 GCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)C[C@H]1CNCCO1)C2 72167776 OAOZTEGISCJREX-HNNXBMFYSA-N 382.468 0.868 0 50 GCAA CCN(CCO)C[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@@H]1CO 91586912 SFQITZAPPJLIQZ-IAGOWNOFSA-N 376.501 0.677 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)C1=O 91644837 NICIDNNMJLFWGL-LJQANCHMSA-N 376.457 0.568 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3ccccn13)C2 95370132 LEBZCCNVBMLAGG-UONOGXRCSA-N 377.470 0.677 0 50 GCAA 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 252680313 YXKXLINGOIQODH-IJDVMUIZSA-N 388.468 0.803 0 50 GCAA Cc1ccccc1CC(=O)N1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 328608503 ZDNCXYHOGNUBER-OAHLLOKOSA-N 384.454 0.111 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)NCc1nncn1CCc1ccccc1 824371090 VJZHFAWPSKSBJD-MRXNPFEDSA-N 379.486 0.966 0 50 GCAA COCCNCCNC(=O)N1CCc2nnc(N3CCCOCC3)cc2C1 952890738 HXJMDGFLWSQCCD-UHFFFAOYSA-N 378.477 0.007 0 50 GCAA Nc1cc(N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)ncn1 1857685239 FHRSLPCOFSHAPQ-LJQANCHMSA-N 383.456 0.875 0 50 GCAA Cn1ccc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(=N)[nH]4)C[C@]34CC[C@H]2O4)cc1=O 1857717705 UNVRLQUHUREMRV-LYKCQVCGSA-N 396.451 0.002 0 50 GCAA O=CN[C@@H](Cc1ccsc1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)CC1 1875321769 UXHHPTYRMUUQHC-CVEARBPZSA-N 399.538 0.822 0 50 GCAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCNC[C@H]1C1CCC1 2325774919 GZDYMKUYUJADAW-HNNXBMFYSA-N 377.466 0.822 0 50 GCAA CC(C)n1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)nn1 2325819562 JCIDEQRSAJLRBZ-UHFFFAOYSA-N 388.403 0.921 0 50 GCAA CCN1C[C@H](C(=O)N2CC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CCC1=O 2325864304 LTUYEGFTZQHKQN-HZPDHXFCSA-N 386.452 0.375 0 50 GCAA CN(C)CC1(C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CC1 2325888019 NUZJCELCHLPKAC-OAHLLOKOSA-N 384.436 0.728 0 50 GCAA COC(=O)CNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)C1 2356161358 RGQRNUJSLSOXRX-DCAQKATOSA-N 389.330 0.259 0 50 GCAA CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 17127861 LSGQBKXSCAVGDH-XBFCOCLRSA-N 384.454 0.985 0 50 GCAA O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 20661259 OJSBRWHWTSLWHY-UHFFFAOYSA-N 399.488 0.675 0 50 GCAA CS(=O)(=O)N1CCCN(C(=O)NCc2nc(-c3ccccc3)no2)CC1 45456488 QUJAHWYCUWGNCP-UHFFFAOYSA-N 379.442 0.914 0 50 GCAA CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 71769339 QLMXTBBDEDJJSY-OFQRWUPVSA-N 379.482 0.744 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 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Cn1ccc(NC(=O)CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)n1 95382282 SHXDUHRTRXLFPM-DNVCBOLYSA-N 375.473 0.444 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cncn2C)CN1C(=O)C1(C)CC1 96141654 UOKYFEFOVIQRHA-KGLIPLIRSA-N 375.473 0.788 0 50 GCAA O=C(Cn1cccnc1=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 97717356 KLKBYFNYZGCTQZ-UHFFFAOYSA-N 376.438 0.213 0 50 GCAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCN(S(C)(=O)=O)CC1 97732844 YINQASFTUGSHTB-UHFFFAOYSA-N 375.454 0.955 0 50 GCAA CNS(=O)(=O)NC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 225518531 VBUPXTQGCGGTMQ-CYBMUJFWSA-N 386.493 0.691 0 50 GCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1nn(C)c(=O)c3ccccc13)C2 248057196 SRMDPMHZHYIJCV-KGLIPLIRSA-N 384.436 0.643 0 50 GCAA COCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3ccccc3F)n[nH]2)[C@H](O)C1 299776523 CUIBYQXSHVZHMK-CZUORRHYSA-N 376.388 0.554 0 50 GCAA COCCN1C(=O)C[C@@H](CNc2nccn(C3CC3)c2=O)[C@@H]1c1cnn(C)c1 328611403 LIATUICQXNTAJZ-SUMWQHHRSA-N 386.456 0.960 0 50 GCAA CCn1ccnc1CN(C(=O)CN1CSCC1=O)[C@H]1CC12CCNCC2 435561949 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C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4762057 UYCSCAFSVRPVEP-WBAXXEDZSA-N 399.447 0.875 0 50 GCAA CCOC(=O)CN(C)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)N(C)C1=O 11969684 UOXWBKBUOHQIFQ-IBGZPJMESA-N 376.409 0.733 0 50 GCAA CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)Oc2ccccc21 30946009 MUJPLFLIIMFSQN-HNNXBMFYSA-N 375.406 0.951 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC(C)(C)CO)CO2 71752593 NSWWFABFGYCOLL-AWEZNQCLSA-N 379.457 0.537 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC(C)(C)C(N)=O)CO2 71755152 JJZNBKRJVAXGCR-ZDUSSCGKSA-N 392.456 0.030 0 50 GCAA Cc1cccc(=O)n1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 91644380 PXLAHRMENVBVNF-UHFFFAOYSA-N 386.456 0.557 0 50 GCAA CCS(=O)(=O)N1CC(CNC(=O)c2cccc(N3CCCNC3=O)c2)C1 170603432 IHJDRVAGCBGMFE-UHFFFAOYSA-N 380.470 0.618 0 50 GCAA Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)C2=O)cn1 172084796 IFZBQHDSAXLQMQ-SJORKVTESA-N 381.436 0.946 0 50 GCAA CCn1nccc1N1CCC[C@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1=O 189967312 RZHYVMRUPZEPHB-HNNXBMFYSA-N 394.439 0.868 0 50 GCAA O=C(CCC(F)(F)F)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 219371974 AXKNBGIDRVGKOY-MNOVXSKESA-N 378.376 0.633 0 50 GCAA Cn1cc([C@H](NS(=O)(=O)c2ccc(NC(N)=O)cc2)[C@H]2C[C@@H](O)C2)cn1 244817137 SUVFKQDTEISGNI-RIEGTJTDSA-N 379.442 0.701 0 50 GCAA C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1=O 298293891 IDWSCTNUAIKYBD-QRWLVFNGSA-N 384.436 0.723 0 50 GCAA O=C1CO[C@H](C(=O)NCC2(CO)CCOCC2)[C@@H](c2ccccc2Cl)N1 1529138435 AKUPXVWEYDXNHM-CVEARBPZSA-N 382.844 0.801 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCCCn3ccnn3)CC2=O)s1 1857731315 DVAKQHYKAGPCKO-LLVKDONJSA-N 379.446 0.226 0 50 GCAA CN1CC[C@@H]2CN(C(=O)c3cc(-c4ccco4)n4cnc(C(N)=O)c4n3)C[C@@H]21 1875350416 LXSNMWYRZLJYQK-RISCZKNCSA-N 380.408 0.864 0 50 GCAA N=c1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)CC[C@H]2O)[nH][nH]1 2100534564 NSINSVILPOYZDK-JGGQBBKZSA-N 389.431 0.580 0 50 GCAA O=C(N[C@H]1c2ccccc2OC[C@H]1O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 2325798478 WNKATEWZRVJBSP-KYJSFNMBSA-N 394.493 0.496 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CC(OC(F)F)C4)ccc3C2=O)C(=O)N1 2325887772 ZZIUZKPQCPVYSZ-ZDUSSCGKSA-N 393.346 0.511 0 50 GCAA COCCN1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 12587021 HAWXAXSQNAPPLD-SFHVURJKSA-N 392.475 0.307 0 50 GCAA O=C(COC[C@@H]1CCCCO1)N1CCc2c(ncnc2N2CCOCC2)C1 77354923 SGYKGXPYWKGJEW-HNNXBMFYSA-N 376.457 0.784 0 50 GCAA O=C(c1ncccc1O)N1C[C@@H](F)C[C@H]1CNS(=O)(=O)c1cccnc1 82120107 MSMKGKOYNIKJMG-RYUDHWBXSA-N 380.401 0.713 0 50 GCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnc(COc2ccc(F)cc2)nc1O 91745572 OJTXLMAPPUUUCK-NSHDSACASA-N 379.369 0.941 0 50 GCAA Cc1c(Br)cc(S(=O)(=O)Nc2nnn(C)n2)cc1C(=O)O 127105394 PZGZJUZATGYUAB-UHFFFAOYSA-N 376.192 0.780 0 50 GCAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(-n4nn[nH]c4=O)cc3)ccc21 170610515 RQLOUYJIUUNBNA-UHFFFAOYSA-N 388.365 0.201 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2sccc2Cl)CCO1 263452675 SWKRGHSYAVXAGI-SECBINFHSA-N 396.874 0.589 0 50 GCAA CNS(=O)(=O)N1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 296098589 XAOYXKPDSXGXDP-CZUORRHYSA-N 384.477 0.569 0 50 GCAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426647052 JLCFQQJQETURKJ-HUUCEWRRSA-N 376.486 0.673 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 464646542 HZNMKHCIQHYNFJ-UHFFFAOYSA-N 385.467 0.354 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CSC(C)(C)C(=O)N2)cc1 670440829 QYYFUPWNJIBWMW-CQSZACIVSA-N 399.538 0.790 0 50 GCAA CCc1cc(C(=O)NC[C@]2(C)CN(c3ncnc4c3cnn4C)CCO2)n(C)n1 1775990704 DPTZTBWXNZTOSJ-LJQANCHMSA-N 398.471 0.685 0 50 GCAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)Cc1cncn1C)C2 1857528097 HQTZVDBIDWSBJL-KRWDZBQOSA-N 395.511 0.911 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)CCS(=O)(=O)c2ccccc2)CC[C@H]1O 1857724982 HVRXWQFEKURMSN-MJGOQNOKSA-N 399.509 0.849 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC[C@]2(CNC(=O)CO2)C1 2100557146 OBGLXRHXDHQNFZ-NRFANRHFSA-N 397.431 0.695 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCC(O)CC4)ccc3C2=O)C(=O)N1 2325897718 FVPPPYGKQXSTQE-OAHLLOKOSA-N 386.408 0.436 0 50 GCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 3831540 OHKOGUYZJXTSFX-KZFFXBSXSA-N 384.435 0.548 0 50 GCAA biogenic,world O=C1CCN(Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CCN1 12052838 HIKHRVHGFGQCDT-KRWDZBQOSA-N 379.526 0.797 0 50 GCAA CCN1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1 12244107 KHFVZNZABIQVKU-OAHLLOKOSA-N 391.468 0.903 0 50 GCAA O=C1CN(Cc2cn(C[C@@H]3CCCN(C(=O)c4cccs4)C3)nn2)CCN1 23428896 BKLZRPQJRJIFMD-CQSZACIVSA-N 388.497 0.824 0 50 GCAA CCn1c(C2CCN(C(=O)CCC(=O)Nc3nncs3)CC2)n[nH]c1=O 67723499 OZJZYXIPVLIYCL-UHFFFAOYSA-N 379.446 0.568 0 50 GCAA Cn1ccnc1SCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 71767721 BGTZKZSLSPJJJJ-AWEZNQCLSA-N 377.470 0.612 0 50 GCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1nccc1C)CC2 95364421 MDIGCGJHIXZLLG-UHFFFAOYSA-N 383.456 0.844 0 50 GCAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCNC3=O)cc2)CC1 95510581 DTIBSUHMWFBWHY-KRWDZBQOSA-N 389.452 0.711 0 50 GCAA CN1CCO[C@H](CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96135851 DNLHKPJPNQRPNG-CYBMUJFWSA-N 379.461 0.418 0 50 GCAA COc1cc(OC)c(OC)cc1CN1CC[C@H](N2CCN(C)CC2)[C@@H](O)C1 211111824 XYYYCCKIJOGRCK-IRXDYDNUSA-N 379.501 0.895 0 50 GCAA Cc1n[nH]c(SCCNC(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)n1 223150502 WREGWUSJZNHHKZ-UHFFFAOYSA-N 387.462 0.747 0 50 GCAA CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252536978 KASBZRKKXLWJGO-UBHSHLNASA-N 391.424 0.953 0 50 GCAA CCCCn1c(O)nc(=O)c2c1nc(CN1C(=O)[C@H]3CSCN3C1=O)n2C 253630079 DYBUUNASTUXLGM-SECBINFHSA-N 392.441 0.473 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(C(N)=O)c3)C2=O)n(C)n1 266347678 OKJZOFPBYJCIMV-AWEZNQCLSA-N 391.453 0.301 0 50 GCAA CC(C)n1c(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)nc2ccccc21 268395018 LSWXVBNKPRVSLH-UHFFFAOYSA-N 393.513 0.811 0 50 GCAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cnccn1 299798097 VFPIQBSDGWSRKS-KRWDZBQOSA-N 387.484 0.556 0 50 GCAA CN1CC(=O)N(CC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1=O 363678611 MECUCYDOGGCNHQ-UHFFFAOYSA-N 379.461 0.503 0 50 GCAA Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)n1 426386961 VAAISELKUYICPJ-ZDUSSCGKSA-N 376.461 0.956 0 50 GCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2nc(-c3ncccn3)no2)C1 584888379 LFACTNJDTQHXER-NSHDSACASA-N 380.430 0.493 0 50 GCAA CN(C)C[C@]12CN(C(=O)C3CCOCC3)C[C@H]1CN(c1nc(CO)cs1)C2 1772809981 BOYXMMNLZDPTEG-HNAYVOBHSA-N 394.541 0.888 0 50 GCAA CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c[nH]nc1-c1cccc(F)c1 1772816123 JCQJECWOVMTVLP-UONOGXRCSA-N 394.428 0.637 0 50 GCAA COC1(C(=O)N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)CCNCC1 1857695755 WVOQWEFVBLYYPR-IBGZPJMESA-N 389.500 0.823 0 50 GCAA COc1nccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n1 1875397089 KVQOBFBDVJDMNA-OAHLLOKOSA-N 385.472 0.962 0 50 GCAA Cn1cc([C@@H]2C[C@H](N=c3ncnc(N4CCC5(CCNC5)CC4)[nH]3)CCO2)cn1 1875406146 YARFZVLCYDOVQC-SJORKVTESA-N 398.515 0.939 0 50 GCAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1C[C@@H]2C[C@H]1CN2CC(F)F 2325806376 MBDOKHUWTAEZAW-RYUDHWBXSA-N 399.419 0.771 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356150330 XEZPVMBDSGEYPA-LJQANCHMSA-N 393.509 0.762 0 50 GCAA O=C(COc1ccccc1)NCc1nnc2n1CCN(C(=O)[C@@H]1CCCO1)CC2 12281364 WGRJFWUXFCQXPE-INIZCTEOSA-N 399.451 0.537 0 50 GCAA CCNS(=O)(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1 17078986 ZBOFEQIOCANOPF-UHFFFAOYSA-N 386.543 0.994 0 50 GCAA CCc1nccn1CCC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 23367461 SPESTWTYUXHDEC-MRXNPFEDSA-N 388.472 0.341 0 50 GCAA CN1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)N(CCO)CCO)C[C@@]1(C)C(=O)O 71315403 UYTVBBDYADXUNC-MPGHIAIKSA-N 384.860 0.989 0 50 GCAA O=C([C@H]1COCCO1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72417879 OKDCXGIWJQBNQX-OAHLLOKOSA-N 375.381 0.961 0 50 GCAA CN(C(=O)C[C@@H]1COCCN1C(=O)Cc1ncccn1)C1CCSCC1 72453776 IAZNNMTVIMMHFY-OAHLLOKOSA-N 378.498 0.991 0 50 GCAA Cc1nc(C)c(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 77392864 VANLKNRPVVSNGN-KGLIPLIRSA-N 381.454 0.542 0 50 GCAA CNC(=O)c1c(COC(=O)/C=C/c2ccc(O)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 102320466 ILDOWEAUBYFIDF-DHZHZOJOSA-N 395.371 0.928 0 50 GCAA COc1cccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 169772590 OERIJENGLRUHJI-UHFFFAOYSA-N 381.410 0.133 0 50 GCAA CN1CCC(N2CCC(NC(=O)N3CCN(c4cccnn4)CC3)CC2)CC1 171213667 FFCBZQJKXBAYDP-UHFFFAOYSA-N 387.532 0.867 0 50 GCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)ccc21 328621247 HPRZNAJGQDCRBR-GFCCVEGCSA-N 375.454 0.614 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 333893206 HJIRYJARKHPKLX-BXUZGUMPSA-N 395.886 0.925 0 50 GCAA C[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)CCN1c1nccn2cnnc12 441041895 OTGISUDMRYZKLQ-CQSZACIVSA-N 376.424 0.843 0 50 GCAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N1CCC[C@@H](CO)C1 534654295 SEYKBIWENJFKBH-CQSZACIVSA-N 375.473 0.939 0 50 GCAA O=C1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)[C@@H]2CCCC[C@H]2N1 828301476 IDTHMLULMLCPBL-ZIAGYGMSSA-N 386.456 0.615 0 50 GCAA O=C([C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC(F)(F)C1 1336494905 YYHFESWUFRORMV-GFCCVEGCSA-N 398.815 0.473 0 50 GCAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 1506412162 MSJBHYLAOCKFQI-UONOGXRCSA-N 385.873 0.574 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)C[C@H]1O 1529107391 ZTTNLFHJNVJDMV-SMDDNHRTSA-N 376.862 0.430 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)NC1 1772808725 AAGWDZAZYVWICW-UHFFFAOYSA-N 382.468 0.988 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857733168 YBRBNEFCBZWVPG-GDZNZVCISA-N 395.481 0.324 0 50 GCAA COC(=O)[C@@H]1C[C@@H](OC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CN1C 1875344826 NIVMVWJBDHZVCR-YPMHNXCESA-N 388.380 0.235 0 50 GCAA Cn1c(=O)c2nc(Br)n(Cc3n[nH]c4c3CCCC4)c2n(C)c1=O 2325802891 CKSPIPVHKAFNTE-UHFFFAOYSA-N 393.245 0.846 0 50 GCAA Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)ccc12 2325805514 NTVOJZRYPXIPEW-LBPRGKRZSA-N 383.378 0.094 0 50 GCAA CN(C[C@@H](O)CNC(=O)c1cccc(N(C)C)c1)C(=O)[C@@]1(C)CCNC(=O)C1 2325826694 JUKNZPHJKSVQPD-JXFKEZNVSA-N 390.484 0.218 0 50 GCAA CN1CCn2nc(NS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2C1=O 2325842324 UXZDZXOBEZOEAX-UHFFFAOYSA-N 392.441 0.334 0 50 GCAA O=C1CC[C@@H](N2Cc3c(OCC(=O)Nc4cn[nH]c4)cccc3C2=O)C(=O)N1 2325897387 VSHCLRPWQGCWLH-CYBMUJFWSA-N 383.364 0.188 0 50 GCAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cnn(C)c3)C2)c(C)n1 2808161 AQGCKHXTFCWUIH-HNNXBMFYSA-N 394.501 0.662 0 50 GCAA Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)nn1C 15064927 PMNGAVVYFVZZOA-IBGZPJMESA-N 381.480 0.703 0 50 GCAA COc1ccnc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)c1 23159420 MKWVPYSMFJYOGJ-INIZCTEOSA-N 390.484 0.619 0 50 GCAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3snnc3C)CC2)n1 67604854 BIGZSQWQERGQGZ-UHFFFAOYSA-N 389.485 0.744 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCN3CCNCC3)C2=O)c1 67834280 LCNUIEDYKXYYHY-FQEVSTJZSA-N 394.491 0.183 0 50 GCAA COc1ccc(OCc2nc(C(=O)N3CCN(S(N)(=O)=O)CC3)co2)cc1 67846835 WGSBUYCZXFZCJQ-UHFFFAOYSA-N 396.425 0.224 0 50 GCAA Nc1cc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)nc(N)n1 71715090 TXYLUSADRUPABG-QZTJIDSGSA-N 397.527 0.441 0 50 GCAA CN1CC2(CCN(C(=O)c3nn(-c4ccccc4)c(=O)cc3O)CC2)OC1=O 72409224 MZYHLFFMMJBPRZ-UHFFFAOYSA-N 384.392 0.995 0 50 GCAA CN1CCN(C(=O)C2CCN(Cc3ccco3)CC2)[C@H]2CS(=O)(=O)C[C@H]21 77440097 VMVDRNCSSBEEPV-SJORKVTESA-N 381.498 0.431 0 50 GCAA COC(=O)C[C@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 210277757 AZVOIFPPAAZFSK-XLPNERPQSA-N 392.383 0.484 0 50 GCAA CCc1nc(CN([C@H]2CCCN(c3cc(C)nn3C)C2=O)S(C)(=O)=O)no1 328608888 BOBUAJNSUHYXIC-LBPRGKRZSA-N 396.473 0.631 0 50 GCAA O=C(NCCc1nc(-c2cccnc2)no1)c1cc2ncc(CCO)cn2n1 426489421 VOAPYQPXSKWDJB-UHFFFAOYSA-N 379.380 0.682 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)N3CCC4(CC3)CNC(=O)O4)CC2=O)s1 1857739181 FHVPVDAQVSCAHO-LLVKDONJSA-N 393.469 0.945 0 50 GCAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H]3[C@H](C2)[C@H](OC)CS3(=O)=O)cc1 1875268121 YYOIABFLVZMSNV-BZUAXINKSA-N 378.450 0.373 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)NCCc1cccc(O)c1 1875393956 VRGISAXGCZJUAR-MRXNPFEDSA-N 378.454 0.343 0 50 GCAA Cc1cccc(C)c1OCC(=O)N1CC2(C1)[C@H](C(=O)N(C)C)CCS2(=O)=O 1875396013 SJVXHRPSJVXZEW-HNNXBMFYSA-N 394.493 0.786 0 50 GCAA Cn1nc(CN2CCOC[C@H]2C[C@H]2CCOC2)c(S(N)(=O)=O)c1Cl 1875406229 ZTXBVULZBQXWPT-GHMZBOCLSA-N 378.882 0.348 0 50 GCAA NCC1(O)CCN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)CC1 2356147413 VECRXDLBGFSQBV-NVAPDCRFSA-N 384.480 0.631 0 50 GCAA COc1ccc(Br)cc1S(=O)(=O)N1CCN(CCO)CC1 12420600 OWNHDEIVYMHFJQ-UHFFFAOYSA-N 379.276 0.756 0 50 GCAA CCCN(C[C@@H]1CCCO1)C(=O)CCCn1nnnc1CN1CCOCC1 23129547 PKMFFBMVAOBEGV-INIZCTEOSA-N 380.493 0.703 0 50 GCAA COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1 36044344 ONNBKYNQQPKBRI-UHFFFAOYSA-N 396.513 0.982 0 50 GCAA CCN1CCN(c2nc(-c3cnc(N4CCN(C)CC4)nc3C)cc(=O)[nH]2)CC1 36235693 HLFKLCRLXWJJPI-UHFFFAOYSA-N 398.515 0.429 0 50 GCAA Cc1cccc(CN2CCN(C(=O)c3cn[nH]c3-n3cnnn3)[C@H](C)C2=O)c1 55271375 WBPICZGXCITNAN-CYBMUJFWSA-N 380.412 0.567 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)Cn3nnc4ccccc4c3=O)C2)n[nH]c1=O 67948016 ANTTXKFYJKHXIP-LBPRGKRZSA-N 383.412 0.102 0 50 GCAA COCCN1CCN(C(=O)NCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 91486595 FKEZQBOWZAELAQ-SJORKVTESA-N 381.498 0.368 0 50 GCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(CCS(=O)(=O)c1ccccc1)C2 95366401 VERLSERUNHHTBT-DLBZAZTESA-N 379.526 0.945 0 50 GCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 95382513 TXHHWFMAGFHRAG-OAHLLOKOSA-N 380.466 0.988 0 50 GCAA Cn1c(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc2c1c(=O)[nH]c(=O)n2C 95520322 BCRRKNLUXZXDQP-CYBMUJFWSA-N 383.456 0.951 0 50 GCAA CS(=O)(=O)NCc1nc(CC(N)=O)nn1-c1cc(Cl)ccc1Cl 96180116 PPIQNEJSWYSNQI-UHFFFAOYSA-N 378.241 0.651 0 50 GCAA Cn1cc(C[C@H](CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(N)=O)cn1 170601258 WDWXBTOTYISHAM-DZGCQCFKSA-N 393.488 0.827 0 50 GCAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(CC(=O)N1CCOCC1)C2 252017674 WJMVEBPWSZGXCN-CVEARBPZSA-N 376.457 0.573 0 50 GCAA CC(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)C[C@]3(CCc4ccccc43)C2=O)CC1 329688724 AYURFIJULSXWPJ-SZNDQCEHSA-N 383.448 0.709 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@@H]1O 1616070988 YWGLDEWPKFRCKQ-CJNGLKHVSA-N 380.470 0.137 0 50 GCAA Nc1cc(N2CCC3(CC2)OCCc2sc(C(=O)NCCO)cc23)ncn1 1857685333 IFVBPIGGUQYURS-UHFFFAOYSA-N 389.481 0.911 0 50 GCAA O=C(Cn1cccnc1=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857719588 PKWIEXARFITSLV-QINHECLXSA-N 380.404 0.544 0 50 GCAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c(OC)c1OC 1857726836 FETQWGCQLDKKJN-IHRRRGAJSA-N 380.441 0.666 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cc(-c4ccccn4)[nH]n3)C[C@H]2CO1 1857739503 MDJIELYFHRPZPK-ILXRZTDVSA-N 398.467 0.522 0 50 GCAA C=CC(=O)NCC(=O)N1CCC(n2nncc2I)CC1 1875301173 BZRJOYMJTZBHGB-UHFFFAOYSA-N 389.197 0.348 0 50 GCAA COCCCn1cc(CSCC(=O)NCc2cncc(C(=O)O)c2)nn1 1875325388 WZMPEVFYCGMGFS-UHFFFAOYSA-N 379.442 0.957 0 50 GCAA Cc1nccnc1N1CC2(CN(C)C[C@H]2c2ccnc(N3CCOCC3)n2)C1 1875393965 WCNPIMDADMQCSE-INIZCTEOSA-N 381.484 0.947 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3ccn(-c4ccccc4)n3)C2)cc[nH]1 2325785505 BTIMIMBDRGSTHT-SJORKVTESA-N 393.451 0.760 0 50 GCAA CC[C@H](CNC(=O)c1cc2ccccc2c(O)n1)NC(=O)Cn1cnc(=N)[nH]1 2325876447 VXOIIURPEYNRKD-GFCCVEGCSA-N 383.412 0.269 0 50 GCAA O=C1C[C@H](C(=O)N2CCc3nc(C4CC4)nn3CC2)CN1Cc1cccnc1 2356165099 SZBOGKZLYXZZKB-INIZCTEOSA-N 380.452 0.984 0 50 GCAA CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCC[C@@H](C(=O)OCC)C1 19798192 XDWORRVVGZJWQT-SNVBAGLBSA-N 393.404 0.184 0 50 GCAA O=C(CN1C(=O)c2ccncc2C1=O)N1CCN(CCc2ccncc2)CC1 20427498 HEKYLJNDWSTCJI-UHFFFAOYSA-N 379.420 0.460 0 50 GCAA Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C 36005131 LJTZUFCLCYJGCL-UHFFFAOYSA-N 391.497 0.982 0 50 GCAA C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 45034011 FAMNIRWSZLYJFV-HNNXBMFYSA-N 382.486 0.652 0 50 GCAA Cc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1 67983006 BEVWSFHWOIDNED-CQSZACIVSA-N 387.484 0.674 0 50 GCAA O=C1NCCN(Cc2cccc3ccccc23)[C@H]1CC(=O)N(CCO)CCO 72144514 QOBSRCZQAOLJRX-IBGZPJMESA-N 385.464 0.344 0 50 GCAA O=C1CN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)CCN1 72164526 LDKFXNRMAQLXOU-AWEZNQCLSA-N 398.385 0.354 0 50 GCAA Cc1ccc(CN2CCN(C(=O)c3cc(N)[nH]n3)[C@H]3CS(=O)(=O)C[C@H]32)o1 72407673 UDEPIJDRCHTDHY-KGLIPLIRSA-N 379.442 0.017 0 50 GCAA Nc1ccc(C(=O)N2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72435938 FHXKWSOHHKBMSM-CVEARBPZSA-N 387.465 0.182 0 50 GCAA COc1ccccc1-n1cc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cn1 91987658 JTBANHVVRDTUND-DZGCQCFKSA-N 376.438 0.092 0 50 GCAA COCCN(C)CC(=O)N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1 95364467 MDEVSYYQRANZTC-FQEVSTJZSA-N 380.533 0.500 0 50 GCAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)CO)CC2)c(Cl)c1 95517219 MAPIPHLIIWCTHH-UHFFFAOYSA-N 383.876 0.994 0 50 GCAA O=C(Cn1cnnn1)N1CCC(Oc2cccc(C(=O)N3CCCC3)c2)CC1 95523898 RIINQSARAREDGP-UHFFFAOYSA-N 384.440 0.979 0 50 GCAA COc1ncccc1C(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 96163530 QDIIPXOFPMRIFB-UHFFFAOYSA-N 382.428 0.878 0 50 GCAA CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCCC(=O)NCc1ccccn1 253432800 OJJLXTIIUWOYKF-KRWDZBQOSA-N 396.513 0.798 0 50 GCAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 299742099 GVRWKPQWQXDMKL-KRWDZBQOSA-N 378.406 0.930 0 50 GCAA Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)nc([C@H](C)N2CCN3C(=O)CC[C@@H]3C2)n1 329448668 LNSKZFDFVRVVFO-GVDBMIGSSA-N 398.511 0.964 0 50 GCAA O=C(NCCCN1CCCC[C@@H]1CO)N1CCN(C(=O)c2ccco2)CC1 426490355 SLSMNBMPPHYYNR-MRXNPFEDSA-N 378.473 0.984 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COc1ccc(Cl)cc1 1704300332 UUHLBAZIMBUCEC-FZMZJTMJSA-N 376.862 0.741 0 50 GCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772806482 YSKCMVQPXSSFTQ-KRWDZBQOSA-N 376.438 0.460 0 50 GCAA O=C1N[C@H](C(=O)N2CCc3nc(C(=O)NCCc4ccccc4)cn3CC2)CO1 1875245745 OPOSRCDZHNTNRB-INIZCTEOSA-N 397.435 0.349 0 50 GCAA Cc1nc(C(=O)N2CCc3ncc(CNC(=O)[C@@H]4CCC(=O)N4)cc3C2)cs1 1875251476 NLXXHSCTAZBRMN-HNNXBMFYSA-N 399.476 0.940 0 50 GCAA Cc1nc(C2CCN(C)CC2)c2n1CCN(C(=O)C1CN(S(C)(=O)=O)C1)C2 1875394732 UXAYEFKAUHCENE-UHFFFAOYSA-N 395.529 0.234 0 50 GCAA C[C@@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1ccccc1-n1ccnn1 1875399781 IYPGBBIAESEZLA-HUUCEWRRSA-N 395.467 0.594 0 50 GCAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1N=c1ccc(-c2ccnn2C)n[nH]1 1875400011 OYHILFTXKWXWJI-GOEBONIOSA-N 395.471 0.471 0 50 GCAA CCOC(=O)N1CCN(C(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 4004031 BBNUVMRGEZMXFT-UHFFFAOYSA-N 388.424 0.771 0 50 GCAA CSc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1 16661419 XPDJMIFSCHKMNG-UHFFFAOYSA-N 386.495 0.902 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC(C(N)=O)CC3)C2=O)c1 67642481 XGSIBAPVKYLEOZ-HXUWFJFHSA-N 393.459 0.885 0 50 GCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1nc(C)c[nH]1)C2 77406283 DGYIIKRVFCFEJV-UHFFFAOYSA-N 378.454 0.841 0 50 GCAA CSCC[C@@H](NC(=O)CNC(=O)c1cnccn1)c1nnc2ccccn12 252535662 GOAOGWBDJSLGIU-GFCCVEGCSA-N 385.453 0.860 0 50 GCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O 328615190 YARPTIXYXFADAS-MCIONIFRSA-N 385.490 0.342 0 50 GCAA CN1CCO[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C1 328656017 YZIGTZDBFCPXJO-KKUMJFAQSA-N 380.468 0.248 0 50 GCAA Cc1cccc(-c2noc(CCC(=O)NCc3nc(N)nc(N(C)C)n3)n2)c1 426538095 NAERBRLFGLLUFJ-UHFFFAOYSA-N 382.428 1.127 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)NCc3ncc4c(n3)CCN(C)C4)CC2=O)s1 1857717048 LPPVIHNMIAMSNG-LLVKDONJSA-N 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391.449 0.942 0 50 GCAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)NCCc1cccc(C(F)(F)F)c1 426595083 SUCJBVKIFIFIAS-CYBMUJFWSA-N 386.374 0.894 0 50 GCAA O=C(Cn1ccccc1=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670450471 XKXWTZHBCKDLII-PDRFFQIWSA-N 378.476 0.532 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](C(=O)O)C1 1704336100 GEPFOFRCVWDLEW-QWHCGFSZSA-N 381.410 0.337 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1COC[C@H]1Cc1ccncc1 1704354110 SCRKTMFWWQSEJO-QZTJIDSGSA-N 382.468 0.368 0 50 GCAA O=C1COc2cc(C(=O)N3C[C@@H]4CN(Cc5cnc[nH]5)C[C@]4(CO)C3)ccc2N1 1772815220 LKLPAFUNHZLLKJ-VBKZILBWSA-N 397.435 0.307 0 50 GCAA O=C(c1ccncc1)N1CCC(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)CC1 1857740252 KIGKLHDCVJAWIE-UTKZUKDTSA-N 398.463 0.884 0 50 GCAA Cn1ncc2c(Nc3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)ncnc21 1857797835 YZTQCOKWZRAQEQ-AWEZNQCLSA-N 391.391 0.868 0 50 GCAA O=C(C1CCOCC1)N1CCc2ncc(CNS(=O)(=O)C3CC3)cc2C1 1875249955 MTTNFVZVGDSRQW-UHFFFAOYSA-N 379.482 0.975 0 50 GCAA 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0.625 0 50 GCAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cccc(-n5cnnc5)n4)[C@@H]2CC(=O)N13 1875247377 UKMYVVRTGQZVOX-KHYOSLBOSA-N 382.424 0.860 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCc2n[nH]c3c2CCC3)CC[C@H]1O)c1ccccn1 2100473700 VUTZPFHIUNGKQD-BJOOFOGMSA-N 383.452 0.869 0 50 GCAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1N1CCOCC1 2100482503 DOSPYJQFQWFOAB-WBVHZDCISA-N 375.469 0.934 0 50 GCAA O[C@@H]1CCN(c2ccnc(N3CCc4nc(C5CCOCC5)nn4CC3)n2)C1 2356149786 BFGGCJGRZPZMHM-OAHLLOKOSA-N 385.472 0.596 0 50 GCAA CN1CCN(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)C1=O 2356158375 ZMWGNBDNMOYLKQ-ZJTDPSCFSA-N 397.479 0.802 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356164148 HDADIIHNFRTWHR-YLAKUSLOSA-N 387.484 0.149 0 50 GCAA Cc1ccc(C)c(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 22873838 WUXCCFLVZXPPOD-INIZCTEOSA-N 383.514 0.906 0 50 GCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(S(=O)(=O)c1cccnc1)C2 65387162 GCBDNBATWMXKJD-UHFFFAOYSA-N 398.448 0.808 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCN1CCCC1=O)CO2 71714820 CCNYKAUUFBBDHX-OAHLLOKOSA-N 388.468 0.714 0 50 GCAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCOC[C@](O)(CN2CCCC2)C1 77452063 ISEFFLXMPDAGFC-FQEVSTJZSA-N 375.469 0.553 0 50 GCAA O=C(NC[C@@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 95379382 DMSAAQSYJCWBLG-CYBMUJFWSA-N 380.426 0.033 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1CO 95385414 IDEWODRBPCWXLJ-HZPDHXFCSA-N 377.485 0.512 0 50 GCAA COc1ccc2c(=O)n(CC(=O)N3CCO[C@@H](CCN)C3)ccc2c1OC 95509570 BGOFPPAESAPWFP-ZDUSSCGKSA-N 375.425 0.595 0 50 GCAA NC(=O)CN1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 173483305 LNLUOSZXDOEBLP-HNNXBMFYSA-N 382.411 0.886 0 50 GCAA Cn1cc(CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@H]2CCNC2)c(=O)n(C)c1=O 328644103 RRVWYBGUERIJBX-RCCFBDPRSA-N 382.464 0.578 0 50 GCAA CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@@H]21 408029917 DNBXOLRMHCROCQ-JKSUJKDBSA-N 382.486 0.874 0 50 GCAA CO[C@H](CS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1OCCO)C1CC1 888096675 HKTGGDBXOQXIKT-OAHLLOKOSA-N 393.483 0.628 0 50 GCAA Cn1c(N2CCC[C@@H](CNC(=O)c3ccoc3)C2)nc2c1c(O)nc(=O)n2C 952989619 WLVQFMHWLHNVAF-NSHDSACASA-N 386.412 0.612 0 50 GCAA Cn1cnc(C(=O)N[C@]2(C)CCOC3(CCN(c4cnccn4)CC3)[C@H]2O)c1 1772700836 JBTXTRUJWQLOAO-ZWKOTPCHSA-N 386.456 0.519 0 50 GCAA Cc1cc(CN2C[C@@H]3CN(C(=O)c4ccc(C)n(C)c4=O)C[C@@]3(CO)C2)on1 1772810631 NLGVDJYWZJKKGH-FOIQADDNSA-N 386.452 0.557 0 50 GCAA COCCn1nnc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 1875245149 LZBDTLBZKWXNPU-OAHLLOKOSA-N 381.458 0.297 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875251192 QHOVHKPYUICATJ-ZFWWWQNUSA-N 376.862 0.540 0 50 GCAA CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2occ(C)c2C)Cn2nnnc2N1C 2325873040 WSUSYTFERTZGEP-KBPBESRZSA-N 397.439 0.732 0 50 GCAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCC(O)CC4)ccc3C2=O)C(=O)N1 2325897717 FVPPPYGKQXSTQE-HNNXBMFYSA-N 386.408 0.436 0 50 GCAA Cn1nccc1C(=O)N[C@H]1CC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n2ccnc21 2332237798 LVVBRQSRFFLXSA-NYTXWWLZSA-N 396.451 0.596 0 50 GCAA CN1C[C@H]2C[C@@H](N(C)S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C[C@H]2CC1=O 2356137650 UBASDIFMBNGEPO-XQQFMLRXSA-N 393.465 0.895 0 50 GCAA Cn1c(=O)c2c(nc(Sc3ncnn3Cc3ccccc3)n2C)n(C)c1=O 1177306 PRZWWRMFWDTPFI-UHFFFAOYSA-N 383.437 0.762 0 50 GCAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCc2ccccc2)n(C)c1=O 19289325 SUSLBOZVVIMHKD-UHFFFAOYSA-N 383.452 0.509 0 50 GCAA Cc1cccc(=O)n1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77340108 IHULMVSSRWURLN-FQEVSTJZSA-N 375.469 0.770 0 50 GCAA Cn1cnnc1CCC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82107331 FHEWVPLDFOURSD-UHFFFAOYSA-N 385.472 0.793 0 50 GCAA COc1cccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c1 82108789 SJWJOTAKKPADCN-UHFFFAOYSA-N 378.454 0.987 0 50 GCAA Cc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1 91988251 IVYRULGOOGOAKL-CQSZACIVSA-N 377.445 0.588 0 50 GCAA O=C(NCc1ccc2c(c1)OCO2)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 97655524 XXKCGPNFRFIDNW-OAHLLOKOSA-N 380.466 0.931 0 50 GCAA CCn1c(O)nc2cc(C(=O)N(CC(=O)O)C3CCOCC3)ccc2c1=O 299749396 KEPHBIKXSZHHOJ-UHFFFAOYSA-N 375.381 0.828 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)c(=O)n(C)c1=O 416640419 CHIKJNTVMHRHTN-CYBMUJFWSA-N 399.419 0.758 0 50 GCAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccnn1CCO 426548480 ILDHJNCXYXAOSL-BSLVTKGXSA-N 381.480 0.173 0 50 GCAA C[C@@H](NC(=O)N1CCN(Cc2nc[nH]n2)CC1)c1nc(-c2cccnc2)no1 426727303 BMRQXVIHWXTRCP-GFCCVEGCSA-N 383.416 0.838 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1O 1529168008 VEDPYDKQCNFEDF-SWLSCSKDSA-N 378.454 0.401 0 50 GCAA Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1CC(=O)O 1857714306 YKXXBOABRLYKHO-WNKDZCFJSA-N 398.467 0.680 0 50 GCAA O=C(CCn1ccc(O)nc1=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857721118 ZVINHUXVRGSFOM-YESZJQIVSA-N 384.436 0.670 0 50 GCAA CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cn(C)nc3CC)CC2)o1 1875346564 HLHUNGVIFNKRLM-UHFFFAOYSA-N 397.457 0.658 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@@H]2C(=O)NCCC1CC(F)(F)C1 1875396017 SOTOPPOQXTZOMP-ZDUSSCGKSA-N 376.429 0.831 0 50 GCAA C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cnc(N)c(Cl)c2)C[C@@H](C)O1 2325720300 BYXJEUYFBNBAAA-AOOOYVTPSA-N 376.866 0.486 0 50 GCAA Nc1[nH]c(=O)[nH]c(=O)c1-c1c(-c2ccc(Cl)cc2)[nH]c2[nH]c(=O)[nH]c(=O)c12 4772356 QCZCEMBGYWMSGG-UHFFFAOYSA-N 386.755 0.491 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@H]1CCCO1 20706991 GTUFEIRHXIWUED-MRXNPFEDSA-N 378.477 0.313 0 50 GCAA C[C@H](CN1CCCC1)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 91390884 PNHIOVQKINHGGA-CQSZACIVSA-N 383.518 0.397 0 50 GCAA CCc1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c1C 91643468 MGDDUSIHQMSLDX-QZTJIDSGSA-N 377.533 0.377 0 50 GCAA O=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1)N1CCCC1 91780046 UAPXCYZAAPTADQ-LSDHHAIUSA-N 377.514 0.640 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)CN(C)Cc3ccccn3)C[C@@H]2CO)CC1 91876571 VKHQGVFGFHKGHT-RTBURBONSA-N 389.544 0.218 0 50 GCAA Cc1c[nH]c(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC[C@H](N)C3)cc2)n1 91895575 NSIFNJDYDSLHOD-AWEZNQCLSA-N 377.470 0.712 0 50 GCAA COc1ccc2cnn(CC(=O)N[C@@H](CO)CCSC)c(=O)c2c1OC 252511138 ZUWRHGMMYPHFFX-GFCCVEGCSA-N 381.454 0.644 0 50 GCAA CNS(=O)(=O)c1cc(C(=O)N2CCNC[C@@H]2c2nccn2C)ccc1OC 261769126 RBNWRUHWGKYZHC-CYBMUJFWSA-N 393.469 0.124 0 50 GCAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)C3=NN(CCO)C(=O)CC3)CC2)no1 372528757 BDOCDFOZJZEGTG-AWEZNQCLSA-N 392.460 0.162 0 50 GCAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1ccc(C(=O)N4CCS(=O)(=O)CC4)cn1)C[C@@H]3C2 376208237 RJDRNYRNKISULG-FTAMUGHTSA-N 391.493 0.812 0 50 GCAA C[C@H]1CNCCN1C(=O)c1cccc(-c2cc(N3CCOCC3)nc(N)n2)c1 584902972 OAFBTVDNSDISLA-AWEZNQCLSA-N 382.468 0.996 0 50 GCAA CCC[C@]1(CO)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)C[C@H]1O 1529125670 VTBFFOQUEJFLLC-NVXWUHKLSA-N 386.470 0.328 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccnc1)CCN2Cc1ccc(CO)o1 1565506485 ALDAOULUBMJAIV-ZWKOTPCHSA-N 377.466 0.650 0 50 GCAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC2 1857677765 CGWCSHURJQKOEX-UHFFFAOYSA-N 393.447 0.726 0 50 GCAA CN(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnc3n1CCCCC3)CCO2 1857704139 FRHVHHTXSROWSL-LJQANCHMSA-N 390.488 0.010 0 50 GCAA CCCC[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCNS1(=O)=O 2325878187 HJRXEFCSDVIFDU-ILXRZTDVSA-N 386.518 0.165 0 50 GCAA Cn1cccc(C(=O)N[C@H]2C[C@H](C(=O)NCCc3cscn3)C[C@@H]2O)c1=O 2356134077 WVCDAWMSHOLQCB-CQDKDKBSSA-N 390.465 0.070 0 50 GCAA COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)c(OC)c1 20018870 AYQVROSGZVSMQJ-CQSZACIVSA-N 377.441 0.505 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cccc(Cl)c3F)nn2)CN1 67689214 RHJJOKMGPUKMHX-RISCZKNCSA-N 394.838 0.992 0 50 GCAA CCN(C)S(=O)(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67695358 HKOBINMIXPCQGQ-UHFFFAOYSA-N 379.486 0.996 0 50 GCAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCN1CCOCC1 67740159 KXEFFVJWAOMMAN-IBGZPJMESA-N 383.439 0.740 0 50 GCAA CCN1CCN(C(=O)c2cn(-c3ccccc3)nn2)[C@H]2CS(=O)(=O)C[C@H]21 77421621 NIIPXGFLVKQXBR-CVEARBPZSA-N 375.454 0.211 0 50 GCAA C[C@@H](Cc1ccccn1)NC(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1 95390204 ORJMKIDKOZWJTE-ZDUSSCGKSA-N 375.450 0.808 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 116442637 WMBSNLXUYDICRC-QGZVFWFLSA-N 376.476 0.928 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nnc[nH]3)CC2)c(C)c1 177098667 JQFMPVBCMAHFSW-UHFFFAOYSA-N 377.470 0.887 0 50 GCAA CC(C)C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 212751814 ONXQOOMPLXHWFJ-CABCVRRESA-N 382.486 0.225 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2cn3ccccc3n2)[C@H]2CCO[C@H]21 222264193 UOPWLNZIAKBDLG-VJUNAUMWSA-N 378.454 0.088 0 50 GCAA Cc1c(C(=O)NCc2cn(CC(=O)O)nn2)nnn1-c1ccc(OC(C)C)cc1 262835058 SHNXTHHQELSFQR-UHFFFAOYSA-N 399.411 0.969 0 50 GCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1=O 365984534 KCCUUYKFWHWXBI-XIKOKIGWSA-N 375.404 0.636 0 50 GCAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCC(c2ncon2)CC1 426393070 SBMKRMCHFDYATJ-HNNXBMFYSA-N 382.486 0.675 0 50 GCAA CC(C)[C@H]1CN(C(=O)c2ncc(F)cc2F)C[C@@H]1NS(=O)(=O)N(C)C 1565515314 CNQSIHLWNHBVKZ-YPMHNXCESA-N 376.429 0.852 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@@H]1O 1616072174 SUJGAVCZRPVXQK-DIFFPNOSSA-N 383.445 0.351 0 50 GCAA O=C1CCCc2cn(nn2)CCCOc2cccnc2C(=O)N2CCN1CC2 1704321765 YRJDXMSLMJSDOJ-UHFFFAOYSA-N 384.440 0.763 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1[nH]nc2ncccc12 1772815542 NUFWVRHUFVCQCC-QGZVFWFLSA-N 378.436 0.965 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cnc[nH]3)[C@H]2c2cnn(C)c2)CC1 1857710409 VZNDTTLLWZOKQP-ROUUACIJSA-N 387.488 0.363 0 50 GCAA Cc1cc(CC(=O)N[C@@H]2C[C@H](C(=O)NCCn3cnc(C)c3C)C[C@H]2O)on1 1875246418 GGVUTCLKGBGYHQ-USXIJHARSA-N 389.456 0.411 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)c(C)n23)n(C)c1=O 12374134 FVSZLVAKHYGYAA-UHFFFAOYSA-N 381.392 0.928 0 50 GCAA CCOC(=O)N1CCN(C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 19799379 UIBLPSLVGSKEQL-CVEARBPZSA-N 380.441 0.978 0 50 GCAA COCCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@H]2CS(=O)(=O)C[C@H]21 82109744 LKBRTECJYXJBOF-SJORKVTESA-N 381.498 0.322 0 50 GCAA CN(C)c1noc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n1 170599233 BMEJGZJJBQMGSH-UHFFFAOYSA-N 393.425 0.241 0 50 GCAA COCCn1c(CN2CCC(N3CCCC3=O)CC2)nnc1[C@H]1C[C@@H](N)C1 243932495 BWCQERCAIFGENR-GASCZTMLSA-N 376.505 0.716 0 50 GCAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(CC(=O)N2CCN(C)CC2)CC1 328635844 NRJNOOWNNIHLQH-IBGZPJMESA-N 388.516 0.454 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC(N3C(=O)C4(CCCC4)N=C3O)CC2)cn1 329402304 ZJJRWYRAYOPMSG-UHFFFAOYSA-N 381.458 0.642 0 50 GCAA COCCN1C[C@@H](CNC(=O)N2CCN(Cc3cccnc3)CC2)CC1=O 426534174 ZHUZONNXHLWBSO-QGZVFWFLSA-N 375.473 0.404 0 50 GCAA Cc1cc(N2CCN(C(=O)N[C@@H](C)Cc3cnccn3)CC2)n2ncnc2n1 426727356 GJAQTQRGUVCQPJ-ZDUSSCGKSA-N 381.444 0.686 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)c1 432673648 XZYKAHREYPGSIF-NSHDSACASA-N 375.472 0.493 0 50 GCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)NCCNS(=O)(=O)c2ccccc2)C1=O 498732010 ANXCIQVHQTVFIQ-HUUCEWRRSA-N 380.470 0.227 0 50 GCAA CS(=O)(=O)N1CCn2nc(CNC(=O)COCc3ccccc3)cc2C1 534578265 QVWJMWIVRFEDSV-UHFFFAOYSA-N 378.454 0.491 0 50 GCAA CN(CCC(=O)NCc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 828026924 IYGPUWZNNGLSAO-INIZCTEOSA-N 376.482 0.998 0 50 GCAA C=CC(=O)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 861899002 IOSUQYTVHPAZPM-DOMZBBRYSA-N 391.390 0.705 0 50 GCAA CCc1noc(CN2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)n1 1565509809 CPTDHAZVLXCQKX-KGLIPLIRSA-N 391.453 0.151 0 50 GCAA O=C(O)CN1CCC[C@]2(CO)CCN(C(=O)c3cn4ccsc4n3)C[C@@H]12 1704308792 KDOGNJPWLLGAGO-CXAGYDPISA-N 378.454 0.769 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3C[C@]4(C(=O)O)C[C@]4(C(=O)O)C3)CC2)c1 1704313307 INTBFMHCZYYHNK-BGYRXZFFSA-N 387.436 0.505 0 50 GCAA NC(=O)c1noc(CN2CCCN(C(=O)c3cnc4ccccc4n3)CC2)n1 1772814455 ALXUFJPPXQMSJZ-UHFFFAOYSA-N 381.396 0.460 0 50 GCAA O=C(O)[C@@H]1CN(C(=O)c2cnc(N3CCOCC3)nc2)CC12CCOCC2 1775984137 ICPOHYZPOFRFTB-AWEZNQCLSA-N 376.413 0.267 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ncc[nH]1)C2 1857688510 NMGLEFISWQGRMK-DLTWYDFYSA-N 383.518 0.565 0 50 GCAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)cc12 1857716173 ZXFNNADLGPURED-QAPCUYQASA-N 389.433 0.971 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)CCCN)[C@H]2c2cnn(C)c2)CC1 1857722363 FRZXVWRSTZPZDQ-HKUYNNGSSA-N 378.521 0.065 0 50 GCAA CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C(=O)O 2325897253 RYJOJMPUJRFPNC-KGLIPLIRSA-N 387.392 0.431 0 50 GCAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 4196777 VSWDJQDTXNUZAG-CQSZACIVSA-N 386.495 0.778 0 50 GCAA CC[C@H]1C(c2ccccc2)=NN(CCO)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4576416 UZKKGOSTSPSBQE-ZDUSSCGKSA-N 382.424 0.601 0 50 GCAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cn2cncn2)CC1 12437845 UDQTVZLGMSTPQR-KRWDZBQOSA-N 376.505 0.897 0 50 GCAA COCCN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 12587026 HAWXAXSQNAPPLD-GOSISDBHSA-N 392.475 0.307 0 50 GCAA CCn1c(C2CCN(C(=O)c3cnc4cccc(C)n4c3=O)CC2)n[nH]c1=O 67772920 HVMOIRDJJOEIPP-UHFFFAOYSA-N 382.424 0.927 0 50 GCAA CC(=O)c1cc(CN2C[C@H](O)[C@@H](N3CCN(c4cnccn4)CC3)C2)n(C)c1 72422147 RAOQQWZQGNWJOT-OALUTQOASA-N 384.484 0.385 0 50 GCAA CN(C)C(=O)N1CCn2nc(CNC(=O)[C@@H]3COc4ccccc4O3)cc2C1 91892626 YOWJRRRSCFMDER-KRWDZBQOSA-N 385.424 0.837 0 50 GCAA Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 95510642 XEOYPVKIBKQFHP-WCQYABFASA-N 381.483 0.688 0 50 GCAA COc1ccccc1-n1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)cn1 208061506 BLFKQQCXSSCRGY-HKUYNNGSSA-N 399.495 0.704 0 50 GCAA Cc1nc(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)sc1C(=O)O 244673905 HXVDFDRIABQUNI-UHFFFAOYSA-N 376.460 0.102 0 50 GCAA Nc1nnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)s1 244701122 KAOPEBQOSDRKLR-LBPRGKRZSA-N 378.433 0.266 0 50 GCAA CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2-n2cccn2)C[C@H]1O 299755117 CDBQWVOBNRIMCV-NVXWUHKLSA-N 379.486 0.204 0 50 GCAA O=C(NCc1cc2n(n1)CCN(c1nccc(N3CC[C@H](O)C3)n1)C2)C1CCC1 299789729 AHCCFSPLENIPKW-KRWDZBQOSA-N 397.483 0.681 0 50 GCAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CN(C)Cc2ccncc2)[C@H](O)C1 426488593 ZNLPBWZPSYLEIV-RTBURBONSA-N 387.484 0.870 0 50 GCAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N1CCC(CO)CC1 534580358 HZOSWNHGQAYTPE-UHFFFAOYSA-N 375.473 0.939 0 50 GCAA COCc1noc(CN2CCN(C(=O)N[C@@H]3[C@@H]4C[C@@H]5[C@@H]3OC[C@@H]5C4)CC2)n1 868904979 ANLHEPZLYBHMLI-NTLKJNNPSA-N 377.445 0.467 0 50 GCAA O=C(Cc1ccsc1)N1CCN(C(=O)C2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 1565507202 APQLCNRYSSHYJC-CABCVRRESA-N 382.507 0.927 0 50 GCAA O=C(c1ccccc1-c1nc[nH]n1)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565528203 GAYWOWZNQITJQP-HOTGVXAUSA-N 385.468 0.875 0 50 GCAA Cc1ncc(CO)c(CN2CCCN(C(=O)CCc3ccnn3C)CC2)c1O 1775984476 VRPOOYBHOLAJCE-UHFFFAOYSA-N 387.484 0.989 0 50 GCAA Cc1oc2c(c1C(=O)N1C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C1)C(=O)CCC2 1857694056 YSYNEJUMBLGJMZ-ZOWXZIJZSA-N 380.466 0.906 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@H](O)C3)CC(=O)N2[C@@H]1c1ccccc1 1857704374 PDOUVNIOTLQTGS-VYIWNADRSA-N 385.464 0.694 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)CCc3ccc(O)cc3)C[C@H]2CO1 1857723287 YXYVQANMTCEMNO-BQFCYCMXSA-N 375.469 0.761 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857723388 DNLVYOJOMAITGE-HKUYNNGSSA-N 395.525 0.990 0 50 GCAA Cn1cc(CC(=O)N2CCC[C@](O)(CN3CCNC(=O)C3)C2)c2ccccc21 1857731185 BTFYCCXYCYAUBK-NRFANRHFSA-N 384.480 0.506 0 50 GCAA CCN(C)S(=O)(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857734765 QQQIZKJQGZVXQK-IRXDYDNUSA-N 385.534 0.844 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(Cn4cccn4)c3)C[C@@H]12 1857739990 CMHRIJQNESXXSN-KSZLIROESA-N 388.493 0.731 0 50 GCAA CC1(C(=O)N[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@H]2O)CC(F)C1 2325839337 QGOBABDLDFFJBZ-AHXAUTOJSA-N 388.403 0.102 0 50 GCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nc(N3CCOCC3)n[nH]2)c1 2356149518 FQIKVDSDOPOLHT-AWEZNQCLSA-N 391.453 0.225 0 50 GCAA COCCN(C)CCN1CC2(CCN(c3cc(C)nc(N)n3)CC2)OC1=O 77339820 VSICKZAYCHHINK-UHFFFAOYSA-N 378.477 0.737 0 50 GCAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)c3cn(CCN)nn3)O2)CC1 77407185 YZSKVGLCDZQJIO-MRXNPFEDSA-N 376.505 0.946 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(N)ccn1)CC2 95510856 QNLVNYVYHDNBOO-UHFFFAOYSA-N 384.440 0.550 0 50 GCAA Cc1cc(C)n2c(C(=O)NC[C@H](c3ccccn3)N3CCOCC3)nnc2n1 215323756 RPFHZMFJJIWRDF-MRXNPFEDSA-N 381.440 0.939 0 50 GCAA COC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc(C(=O)OC)c1 250365091 JACVYRBSDVAZRZ-YIYPIFLZSA-N 375.333 0.853 0 50 GCAA COc1cc2nc(C)n(CC(=O)N[C@H](CO)CCSC)c(=O)c2cc1OC 253408521 KUMTYBJDAOKERD-LBPRGKRZSA-N 395.481 0.952 0 50 GCAA biogenic CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 253428775 KZLOUVCMIBZDQM-MAZHCROVSA-N 393.465 0.734 0 50 GCAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 328627101 MIUDPVDINAJMJE-CYBMUJFWSA-N 389.481 0.957 0 50 GCAA O=C([C@H]1CCCc2cccnc21)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 333318272 KRUKSKPXJGGFPE-ZDUSSCGKSA-N 376.442 0.153 0 50 GCAA COc1ccnc(C(=O)N2CCOC3(CCN(S(=O)(=O)N(C)C)CC3)C2)c1 824835685 GDIITPCHZHRDCS-UHFFFAOYSA-N 398.485 0.204 0 50 GCAA COCc1noc(CN2CCC3(CC2)CN(C(=O)[C@H]2CCCO2)CCO3)n1 952977708 BSLPTJJOWOTUOL-CQSZACIVSA-N 380.445 0.588 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@@H]1O 1529196191 VYDSMFKVMYTNAO-ZFWWWQNUSA-N 382.486 0.006 0 50 GCAA O=C1CNC(=O)N1CC(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565530412 MXBZXCZHRBWNFN-PBHICJAKSA-N 382.464 0.628 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COc1ccc(F)cc1F 1704344031 IWQDFOBZOFRWEY-GWCFXTLKSA-N 378.397 0.366 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@]2(CCC(=O)O)C1 1772813062 UUIRBUIXJWAKIZ-MAUKXSAKSA-N 380.466 0.814 0 50 GCAA CC[C@H]1[C@@H](C(=O)NCCO)C[C@H]2CN(C(=O)/C=C/c3ccccc3)CC(=O)N21 1857697512 WVRCFBPZETTWAL-XOQOMHCNSA-N 385.464 0.646 0 50 GCAA Cc1ncc(-c2nnc3n2C[C@@]2(CCN(C(=O)c4cnccn4)C2)OC3)c(C)n1 1857703604 OOTMSGVOLKYNTK-IBGZPJMESA-N 392.423 0.957 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)CCc3ccccc3OC)CCO2)n1 1857734930 ZGKRBBHVEIEYHB-MRXNPFEDSA-N 375.429 0.861 0 50 GCAA COc1ccc(CN2C[C@@H]3CC(=O)N[C@@H]3C2)cc1OCCN1CCOCC1 1875244834 WQXKODWJUALJTQ-DLBZAZTESA-N 375.469 0.727 0 50 GCAA O=C(NCC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C1)C1CC1 1875321979 DGZIIJBWXOIXLG-HZPDHXFCSA-N 387.484 0.566 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@@H]2C(=O)NC1CC2(COC(C)(C)C2)C1 1875395456 CLQQYZBLORKOOR-KVIBHRHWSA-N 396.513 0.743 0 50 GCAA CN=c1[nH]c(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)ncc1F 1875397445 ALVGJZILFYFUML-GFCCVEGCSA-N 388.451 0.879 0 50 GCAA CN1CCN(c2cccc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)n2)CC1 1875402255 CZFVMOAZCKJFTO-CGTJXYLNSA-N 384.484 0.599 0 50 GCAA CCS(=O)(=O)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC1CC1)O2 1399649 FWYZCOZYHQZYKQ-AWEZNQCLSA-N 388.467 0.286 0 50 GCAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cccnc1 6140674 VAAMBNHTMJQXMG-UHFFFAOYSA-N 391.449 0.798 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cnccn2)cc1 12440088 DHWRCNJGKALIHN-LJQANCHMSA-N 397.479 0.925 0 50 GCAA O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)C[C@H]12 14754730 BMFZDIPHENMIDY-LSDHHAIUSA-N 387.827 0.457 0 50 GCAA CC[C@H](C)n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20683781 ZNPHICOXTAQMHR-ZDUSSCGKSA-N 388.472 0.761 0 50 GCAA CCc1nc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)nn1C 48501585 IPDUWSQNGBWOAZ-UHFFFAOYSA-N 386.412 0.983 0 50 GCAA O=C(NCc1cccnc1N1CCOCC1)[C@H](c1ccccc1)n1cnnn1 67852183 YDNDJFXTNGSZGX-KRWDZBQOSA-N 379.424 0.811 0 50 GCAA NC(=O)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 72152108 ZEQKYDHYEATXID-SFHVURJKSA-N 396.447 0.771 0 50 GCAA CN1CCCN(C[C@@H]2CN(C(=O)c3ccc(N(C)C)nc3)C[C@@H]2CO)CC1 92003689 NRJAXRQWTQJMGL-QZTJIDSGSA-N 375.517 0.466 0 50 GCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C1CCN(C(=O)c3cnccn3)CC1)C2 95530514 FVWFDQZZAAUFLN-DOTOQJQBSA-N 387.484 0.650 0 50 GCAA COc1ccc(-n2nc(CC(N)=O)nc2[C@H]2CSC(C)(C)C(=O)N2)cc1 96149347 KDEVCTXHZZMBKC-GFCCVEGCSA-N 375.454 0.986 0 50 GCAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCN1CCC[C@H](C(N)=O)C1 97631961 SOKXGKBGHAEYGF-ZDUSSCGKSA-N 382.486 0.717 0 50 GCAA O=C(NC1CC1)[C@@H]1CCCN1c1ncnc2c1ncn2C[C@@H](O)[C@H]1CCCO1 888097140 BRYWLAKUGICWHN-RRFJBIMHSA-N 386.456 0.614 0 50 GCAA O=C(NCCn1ccc2cc(Cl)ccc21)N1CCN2[C@@H](CNS2(=O)=O)C1 922422387 WVEXIPACQJHQCJ-AWEZNQCLSA-N 397.888 0.839 0 50 GCAA Cc1cc(CC(=O)N2C[C@@H]3CN(C(=O)c4nc5ncccn5n4)CC[C@@H]32)on1 1775977837 KCIRGPCQVHGBQG-JSGCOSHPSA-N 381.396 0.336 0 50 GCAA COC(=O)c1cccc(-c2nccn2CCS(=O)(=O)N2CCOCC2)c1 1875250023 RTANFPNCPVOLLE-UHFFFAOYSA-N 379.438 0.999 0 50 GCAA CCOCC(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 1875307123 UGASVYIFXCZHDE-UHFFFAOYSA-N 381.440 0.955 0 50 GCAA CN(C)C(=O)[C@@H]1c2cnn(C)c2CCN1C(=O)Cn1ccc2ccccc2c1=O 1875394533 LOVNAHTUYKCPRT-IBGZPJMESA-N 393.447 0.949 0 50 GCAA C[C@@](O)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nn1)C1CCC1 2325829749 RBHZSQBBVOLOTF-XLPNERPQSA-N 389.456 0.216 0 50 GCAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)Cn2nnnc2CN2CCCC2)C1 12387524 CTAGBMPGSYFGHC-HNNXBMFYSA-N 383.456 0.785 0 50 GCAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cn(CCN2CCOCC2)nn1 20535490 SWCKPRPLSKBJGU-UHFFFAOYSA-N 397.439 0.933 0 50 GCAA Cc1[nH]c2ccccc2c1CCNC(=O)Cn1nnnc1CN1CCOCC1 23338960 HQYIEWKUZXDGLG-UHFFFAOYSA-N 383.456 0.654 0 50 GCAA COCCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 24562947 ZSLYRKQLJHHKFQ-HNNXBMFYSA-N 395.481 0.014 0 50 GCAA Cc1ccc(NC(=O)[C@H]2CN(C(=O)CSc3n[nH]c(N)n3)CCO2)cc1 72425128 WYJLWIVBWUODJK-GFCCVEGCSA-N 376.442 0.654 0 50 GCAA O=C(CCn1cnnn1)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82091853 LVOLHZUISIVIHO-IBGZPJMESA-N 383.456 0.890 0 50 GCAA Cc1nnc(SCC(=O)N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)s1 213083053 TWBPLTNCSKGTOQ-AAEUAGOBSA-N 393.494 0.725 0 50 GCAA O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCCc2cnccn2)c1 215175429 MLZPTDZQEXVFEP-OAHLLOKOSA-N 375.454 0.089 0 50 GCAA Cn1nccc1N1CCC[C@H](N(Cc2noc(C3CC3)n2)S(C)(=O)=O)C1=O 328611620 MBGVTWMVRQEOTL-LBPRGKRZSA-N 394.457 0.638 0 50 GCAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 670441489 YESUPXRLJAODIB-OAHLLOKOSA-N 391.435 0.969 0 50 GCAA C[C@@H]1[C@H](N(C)CCO)CCN1c1ncnc2c1ncn2C[C@]1(O)CCO[C@@H]1C 888097088 ABKCTCRILAZAAE-DEXNDLTESA-N 390.488 0.258 0 50 GCAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)CN2C(=O)CN(C)C2=O)C3)cc1 952975278 SQNOXWNDGLHXEV-UHFFFAOYSA-N 395.419 0.812 0 50 GCAA O=C(CCc1nc2ccccc2[nH]1)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 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0.450 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(NS(=O)(=O)c4ccco4)ccc3C2=O)C(=O)N1 2325897129 PFGDJVCIHFTMOW-CYBMUJFWSA-N 389.389 0.841 0 50 GCAA CCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(CCO)n1 2356160569 YMBXEKBARWXGAV-SJORKVTESA-N 376.413 0.779 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@H]1NS(C)(=O)=O 2356170025 REWPCNSQYDAWGT-ARFHVFGLSA-N 386.518 0.903 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCn1cccn1 12712191 NZBLHBIOKGWIRJ-KRWDZBQOSA-N 385.468 0.789 0 50 GCAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCc2[nH]ncc2C1 15062600 XKLOBTFKRLMWKF-UHFFFAOYSA-N 378.440 0.539 0 50 GCAA COC(=O)[C@]1(CO)N[C@H](c2c(F)ccc(F)c2Cl)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65404344 LBIYQRYYRDYODH-NKTGWMFESA-N 388.754 0.398 0 50 GCAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@@H]1CC(=O)NCc1ncc[nH]1 67856591 WACOOAQZJDDUIC-HNNXBMFYSA-N 399.451 0.786 0 50 GCAA CCC(CC)CNC(=O)[C@H]1CC[C@@H](NC(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 72421772 ZBGNLGIPNHEGCX-LSDHHAIUSA-N 378.473 0.682 0 50 GCAA 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CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1(C(N)=O)CC1 14958819 NIEWIDFHHITUKH-GOSISDBHSA-N 394.560 0.923 0 50 GCAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)CN)CC2 77337837 FTKJKCYYYHHJBD-UHFFFAOYSA-N 380.495 0.807 0 50 GCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cncn1C)C2 77524333 HSEDRNOUTCWPSX-UHFFFAOYSA-N 378.454 0.543 0 50 GCAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CCn2cnnn2)CC1 96138668 AOWQEGUXUHOTQW-UHFFFAOYSA-N 384.448 0.326 0 50 GCAA COCCNC(=O)c1ccc(NC(=O)N2CCN3CCNC(=O)[C@@H]3C2)c(C)c1 97679949 YHKXQSVLIVTPHM-INIZCTEOSA-N 389.456 0.019 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)C2=O)cn1 172084792 IFZBQHDSAXLQMQ-IRXDYDNUSA-N 381.436 0.946 0 50 GCAA O=C(N[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1O)c1cnccn1 212792145 NNKLVWCEYNNQNE-WFASDCNBSA-N 376.800 0.841 0 50 GCAA Cc1c(C(=O)N2CC[C@@H](N3CCNCC3)C2)nnn1-c1ccc2c(c1)OCCO2 262071469 PGNYVFBHQKUALI-MRXNPFEDSA-N 398.467 0.467 0 50 GCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(O)(CN3CCCC3)CC2)C1 1506402718 ZWKCZUGMCCXMQF-MRXNPFEDSA-N 375.535 0.512 0 50 GCAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1=O 1875265415 GOWHCMPYENTTRT-YPMHNXCESA-N 375.429 0.132 0 50 GCAA CC(=O)NCC12CC(C(=O)NC[C@H]3CC[C@H](CN)CC3)(C1)C1(CCNCC1)O2 1875393814 UELKQCPQSLWZSR-IUALRMIASA-N 392.544 0.675 0 50 GCAA CC(C)=CCC(=O)N[C@H]1C[C@@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325877994 BAECHWZTFOSUOT-LSDHHAIUSA-N 384.498 0.246 0 50 GCAA CN(C(=O)CSC1CC1)C1CC(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 2325878503 RVDLGTUMSXUQGC-UHFFFAOYSA-N 386.539 0.812 0 50 GCAA CCCC[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)OC 4763345 DFXSIBNDNVSVES-HNNXBMFYSA-N 393.440 0.877 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCN1CCCCC1=O 12475988 XICHUIASBGEOLH-SFHVURJKSA-N 386.496 0.814 0 50 GCAA COCCCN1C[C@@]2(CCCN(C(=O)Cn3cccnc3=O)C2)CCC1=O 77392058 DLKMARIILPTZJS-LJQANCHMSA-N 376.457 0.511 0 50 GCAA COc1ccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 77427996 YSWZMTGWRNUQHA-LSDHHAIUSA-N 385.461 0.799 0 50 GCAA Cc1nc2sccn2c1CN1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 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GCAA COC1(C(=O)NCCc2ccccc2)CCN(C(=O)[C@H]2COCCN2C)CC1 1857695385 HVNBVZSWRGKSAX-GOSISDBHSA-N 389.496 0.684 0 50 GCAA Cc1cnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)C4CCOCC4)C3)C2)[nH]c1=N 1857705255 ZPYVBAKOJTYUHR-UZLBHIALSA-N 389.500 0.804 0 50 GCAA COc1cccc(OC)c1C(=O)N[C@@H]1CN(c2ncc(C)c(=N)[nH]2)CC[C@H]1O 1857707804 KVWULLPEKDKEDY-CHWSQXEVSA-N 387.440 0.584 0 50 GCAA Cc1nc(-c2cccc(C(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2)no1 1857734144 LMYPSHVWTZWUCO-LSDHHAIUSA-N 394.453 0.369 0 50 GCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCN2[C@@H](C)COC[C@H]2C1 1857735822 BXXWKYITOHIRJY-GOEBONIOSA-N 392.481 0.975 0 50 GCAA CN1CC[C@]2(C(=O)O)CN(C[C@H](O)COCc3ccc4c(c3)OCO4)C[C@@H]2C1 1875282468 GHBMODTXPUBDOU-FTRWYGJKSA-N 392.452 0.631 0 50 GCAA CS[C@H](C)C(=O)N1CCCO[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)C1 1875302326 LAUOFZSBCZXNPX-CHWSQXEVSA-N 394.559 0.685 0 50 GCAA O=C(NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cc([C@@H]2CCCN2)[nH]n1 2325868978 SWASNYWHRZHIPW-ZDUSSCGKSA-N 389.437 0.239 0 50 GCAA CCn1cc(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cn1 2325887127 VQFQXULZLDCBSI-INIZCTEOSA-N 395.419 0.594 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NCC[C@H]4CCCNC4)cccc3C2=O)C(=O)N1 2325896085 QTODTHWMARHKDO-DYVFJYSZSA-N 398.463 0.567 0 50 GCAA Cn1c(C(=O)N2CCC3(CC2)OCCc2sccc23)cc(=O)n(C)c1=O 2356149182 OKPIJFZZELGWGG-UHFFFAOYSA-N 375.450 0.850 0 50 GCAA O=C(O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1I 658601 ALXJLCAFBGOZNO-XBXARRHUSA-N 388.117 0.935 0 50 GCAA CC(=O)COC(=O)CNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 2762312 ZZWOSFWADIEMPG-UHFFFAOYSA-N 387.175 0.838 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(Cc2ccccn2)CC1 23214262 FGLKZYVBAXZTEO-SFHVURJKSA-N 387.528 0.962 0 50 GCAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C(N)=O)CC3)n2)c(F)c1 44893535 FDNZRQISWTVFAC-UHFFFAOYSA-N 388.399 0.782 0 50 GCAA Cc1cc(C)cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77337998 OFODHERDVSRTSP-LSDHHAIUSA-N 386.495 0.186 0 50 GCAA COCCCCCC(=O)N1CCN(Cc2c[nH]cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 82091626 XIYLRESCKRXIME-CVEARBPZSA-N 384.502 0.426 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CSc1ccccn1)C2 247929417 FELCFOMEWPVPLP-KGLIPLIRSA-N 384.527 0.903 0 50 GCAA CN(C)c1cccc(C(=O)N2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c1 248025242 GMKUIAIBGJYTKG-GUYCJALGSA-N 381.454 0.171 0 50 GCAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC[C@H](O)CN1CCOCC1 252572034 YVBPYYYOALUYPO-ZDUSSCGKSA-N 380.395 0.882 0 50 GCAA O=C1NCC2(CN(C(=O)Cn3nc(-c4ccccc4)c4ccccc4c3=O)C2)N1 426490221 QDLNZXXFDRERSF-UHFFFAOYSA-N 389.415 0.957 0 50 GCAA Cc1cc(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c2c(C)nn(C)c2n1 426705909 VWSRRNYHUDOTNO-UHFFFAOYSA-N 383.456 0.607 0 50 GCAA Cc1nc(C)c(C(=O)NC[C@H]2CCCN(C(=O)CSc3nc(N)n[nH]3)C2)o1 827928351 LAXUTIZEVVQQFW-LLVKDONJSA-N 393.473 0.752 0 50 GCAA O=C(NCC1CCN(C(=O)[C@@H]2CCOC2)CC1)c1cnc2ccccn2c1=O 952978506 AHEIMQPEBMWJPZ-OAHLLOKOSA-N 384.436 0.699 0 50 GCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cn4ccsc4n3)C[C@@H]2O)no1 1565516386 NGBZGYXESJSMIS-GWCFXTLKSA-N 375.410 0.698 0 50 GCAA O=C(Cc1cc[nH]n1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857693060 GNVZBOATBOARJE-FQEVSTJZSA-N 398.467 0.791 0 50 GCAA CS(=O)(=O)NCCNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857739595 WZEMMAWTBPQCCG-GFCCVEGCSA-N 381.458 0.495 0 50 GCAA N=c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)NCCc3ccc(O)cc3)C[C@H]2O)c[nH]1 2356165319 CFTCKRSLTJIIHB-BMGDILEWSA-N 398.463 0.818 0 50 GCAA Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 19595564 MAMDJFPTOISNCU-SFHVURJKSA-N 391.516 0.529 0 50 GCAA CCc1cc(N2CCN(CC(=O)N3CCCC3)CC2)nc(N2CCOCC2)n1 65397690 YOVFDHQSHFVMTF-UHFFFAOYSA-N 388.516 0.620 0 50 GCAA CN(C)CC(C)(C)CN1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72423743 AFJVABHRWSHUQZ-MSOLQXFVSA-N 380.558 0.953 0 50 GCAA O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 95379619 VMIWOCJAKGJUIL-NSHDSACASA-N 382.360 0.672 0 50 GCAA CSCCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2COCCO2)c1 95392451 PXQUZNHOQPOVOP-CQSZACIVSA-N 388.511 0.815 0 50 GCAA COCCn1nnnc1[C@@H]1CN(Cc2cc3c(cc2OC)OCO3)CCO1 215859036 PRIXGQJNZLVZCE-INIZCTEOSA-N 377.401 0.630 0 50 GCAA O=S1(=O)C[C@H]2NCCN(c3ccnc(N4C[C@H]5CC=CC[C@H]5C4)n3)[C@H]2C1 216530647 SWEMZVPENBLUAW-QXSJWSMHSA-N 375.498 0.454 0 50 GCAA C[C@H](OC1CCCCCC1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 330003426 BTSWZQPSTXSBQL-UAGQMJEPSA-N 388.530 0.416 0 50 GCAA COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1=O 378130839 CDQUUQIJJOORLD-OAHLLOKOSA-N 390.484 0.899 0 50 GCAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)N1CCC(c2nc[nH]n2)CC1 584894295 GGKKTHCMVMRONX-HNNXBMFYSA-N 377.493 0.636 0 50 GCAA NC(=O)c1cccnc1N1CCN(C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 670469386 MONOITFOIIYFIM-QGZVFWFLSA-N 387.484 0.473 0 50 GCAA O=C(CCCn1cnnn1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005754 OQMDXNTZJVTRKD-NQKNOSNGSA-N 381.484 0.137 0 50 GCAA COCCN1CC[C@@H](CN(C)c2cncc(C(=O)N3CCN(C)CC3)n2)C1 1529191841 GALKBFWLCXIOFH-INIZCTEOSA-N 376.505 0.269 0 50 GCAA O=C1CN(CC(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)CCN1 1565528676 RRNSMHUBFDGAGO-APWZRJJASA-N 382.508 0.508 0 50 GCAA NC(=O)c1noc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(C[C@@H]3CCOC3)CCO2)n1 1857701597 WPCOZLIBHRQRSG-XTDOFWJNSA-N 391.472 0.403 0 50 GCAA COc1cccnc1CN1CCC2(CC1)CN(CC(=O)N(C)C)C(=O)CCO2 1857714916 SAEUEWAUCFRAIF-UHFFFAOYSA-N 390.484 0.762 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ncc[nH]c2=O)cn1 1857727731 YGNZNNVAJAHMGS-RDJZCZTQSA-N 386.456 0.572 0 50 GCAA Nc1ncc(Br)cc1C(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1 2325854205 RYBHVBZRUNBHKD-JTQLQIEISA-N 383.246 0.841 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCOCC2)c(OC)c1 12202792 WBIXEOZSDQSMRI-INIZCTEOSA-N 377.441 0.253 0 50 GCAA 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 27642641 TVZHDVCTOCZDNE-WVJYZQHISA-N 382.409 0.096 0 50 GCAA biogenic,in-vitro O=C(O)c1cnc2c(c1)n(C[C@H]1COCCO1)c(=O)n2CCc1ccccn1 55371339 SEIATTYSEFYJBK-HNNXBMFYSA-N 384.392 0.949 0 50 GCAA CCn1c(C2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)nn(C)c1=O 67966817 LDPOWACKJVRKAB-OAHLLOKOSA-N 377.489 0.812 0 50 GCAA CC(C)N1CCN(CCCN2CC3(CCN(C[C@@H](O)CO)CC3)OC2=O)CC1 72407637 RBUGVYHQOFMIAF-GOSISDBHSA-N 398.548 0.043 0 50 GCAA Cc1noc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 97657221 HQYFUSNZTWAHJC-UHFFFAOYSA-N 380.426 0.671 0 50 GCAA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1 220011938 FEQBJAIZDWPCGT-MSOLQXFVSA-N 375.469 0.642 0 50 GCAA CC(C)Nc1nc(NCCO)nc(N2CCC(N3CCO[C@@H](C)C3)CC2)n1 252491941 MAAYPBGXSYBXMG-AWEZNQCLSA-N 379.509 0.786 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC(F)(F)CN2)c1 263200631 IZZQIYCCPLNQET-JOYOIKCWSA-N 390.412 0.035 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1 408521748 STCMNAWWKOAFNQ-UHFFFAOYSA-N 385.467 0.932 0 50 GCAA O=C(NCCSc1cnn[nH]1)N1CCN(Cc2ccco2)[C@H](CCO)C1 426379704 LJMIEDVSTRVVHO-CYBMUJFWSA-N 380.474 0.768 0 50 GCAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 952873027 TWXRUVPFTOUWNP-HNNXBMFYSA-N 376.475 0.855 0 50 GCAA CCCn1cc(CNC(=O)[C@H]2CC(=O)N(c3nnc(COC)s3)C2)cn1 1857710377 UMISOAASBYCIID-LBPRGKRZSA-N 378.458 0.960 0 50 GCAA COc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)NCc3nc[nH]n3)C[C@H]2OC)cn1 1875248008 UCMCHUPYGKSKDL-IACUBPJLSA-N 388.428 0.438 0 50 GCAA COC(=O)CCN(C)C(=O)[C@@H](CSC)NC(=O)[C@@H]1Cc2ccccc2N1C 1875329403 UIIKGRUXORXLLU-ZBFHGGJFSA-N 393.509 0.917 0 50 GCAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2[C@H]3CC[C@H]2C(=O)NC3)c1 2325787768 VSWVGUUTDXIJFT-KWQFWETISA-N 378.859 0.395 0 50 GCAA O=C(NCC1(O)CCOCC1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356138558 MENFWYPRUNGKSZ-ZJTDPSCFSA-N 385.464 0.976 0 50 GCAA CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 1266393 VCRZPTXLMNJGDI-UHFFFAOYSA-N 386.431 0.753 0 50 GCAA Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2385795 CBPORDHWPIQEPF-UHFFFAOYSA-N 397.478 0.873 0 50 GCAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)CC1 35416887 CEKRVGOKJGLPET-UHFFFAOYSA-N 397.497 0.494 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)n[nH]c1=O 67643654 BTSDGVBOURTBGV-AWEZNQCLSA-N 382.428 0.651 0 50 GCAA O=C1N[C@H](C(=O)NCc2cccnc2N2CCN(c3ccccn3)CC2)CO1 67975424 XONNJBLMLQHDIT-HNNXBMFYSA-N 382.424 0.528 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3n[nH]c4c3CCC4)cc2C1 82108091 OSRPUAXDFOKYCV-UHFFFAOYSA-N 378.458 0.190 0 50 GCAA COCCN1C[C@]2(CCCN(C(=O)c3nnc4nc(C)ccn34)C2)CCC1=O 92021756 OBABPDKKDQYAGV-IBGZPJMESA-N 386.456 0.924 0 50 GCAA Cn1cc(C[C@H](CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(N)=O)cn1 170601257 WDWXBTOTYISHAM-UKRRQHHQSA-N 393.488 0.827 0 50 GCAA CCCOC(=O)N1CCN(C(=O)c2cnc(C)nc2)[C@@H]2CS(=O)(=O)C[C@@H]21 219303525 SSYMURHAOZKNMO-KGLIPLIRSA-N 382.442 0.255 0 50 GCAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](COC)C(N)=O)cc1 225525052 RZCDNMBBDVDYHG-CQSZACIVSA-N 386.474 0.017 0 50 GCAA C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCNC(=O)c1ccn[nH]1 248409770 GFZZGKGLOWAGEE-GOEBONIOSA-N 385.472 0.744 0 50 GCAA COc1cc(F)c(S(=O)(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1OC 275235661 DTODFRGWTOKIFB-STQMWFEESA-N 399.444 0.973 0 50 GCAA Cn1ccnc1-c1noc(-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 289114703 QNKVHMOYWPXTQC-UHFFFAOYSA-N 390.425 0.621 0 50 GCAA CNS(=O)(=O)N1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 296098581 XAOYXKPDSXGXDP-BBRMVZONSA-N 384.477 0.569 0 50 GCAA Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccn(CCN2CCOCC2)n1 330235448 GXSONDSWHIIZQB-KRWDZBQOSA-N 387.488 1.417 0 50 GCAA C[C@@]1(c2ccc(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)cc2)NC(=O)NC1=O 788601157 GMSGWOMRCALQDE-BZNIZROVSA-N 387.425 0.185 0 50 GCAA CNC(=O)Cn1cc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cn1 1506422789 RRMAGZMWJMJMCT-UHFFFAOYSA-N 383.405 0.173 0 50 GCAA CC(C)(C)c1cc(CN2CCN(Cc3cnc[nH]3)[C@H]3CS(=O)(=O)C[C@H]32)[nH]n1 1565505688 PIQCZVSWZFHWNW-CVEARBPZSA-N 392.529 0.914 0 50 GCAA O=C(NCCCc1nn[nH]n1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772810755 KYAAOEYMZHOUHL-LLVKDONJSA-N 377.474 0.347 0 50 GCAA CN1C(=O)NCC12CN(Cc1ccc(OCC(=O)NC[C@@H]3CCCO3)cc1)C2 1857678312 VMDAPVOJSRGOPR-KRWDZBQOSA-N 388.468 0.570 0 50 GCAA COc1cnc(N2CCC3(CC2)CC(=O)N(CC(=O)N(C)C)CCO3)nc1 1857687465 SBUJCCKEVGDBAL-UHFFFAOYSA-N 377.445 0.161 0 50 GCAA Cc1nnc(CN2CCC3(CC2)CC(=O)N(CC(=O)N(C)C)CCO3)s1 1857687950 MSIGBXVOQGAFCQ-UHFFFAOYSA-N 381.502 0.518 0 50 GCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CC1COCCOC1)CC2 1857693526 APWFTSHAIOYEOT-UHFFFAOYSA-N 391.516 0.525 0 50 GCAA Cc1cn(CC(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)c(=O)nc1O 1857720352 QCSKFUBWDHOZSY-HOCLYGCPSA-N 393.827 0.872 0 50 GCAA Cc1nnnn1CCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857721599 XKLAQWCGHLFNFH-WMZOPIPTSA-N 377.420 0.325 0 50 GCAA C[C@H]1CN(C(=O)CN2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)C[C@@H](C)O1 1857724497 YMDDSHVXYXLIQD-FKPGQJDZSA-N 376.497 0.910 0 50 GCAA COC(C)(C)c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355749 OXWSRKGBWGDZIC-CQSZACIVSA-N 383.408 0.910 0 50 GCAA CCOc1ccc(C(=O)N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1OC 1875358418 VOGXJVYBQCNEMQ-ZDUSSCGKSA-N 389.412 0.483 0 50 GCAA CCn1c(=O)c(N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)nc2ccccc21 1875399008 LKZCOWYIZMTVFA-ZDUSSCGKSA-N 396.451 0.505 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[C@H]1O)C1CCOCC1 1940197413 OUZFOMQXYAUPPA-CGTJXYLNSA-N 376.453 0.864 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)cc1C 12458671 HBKNNHWQODLADU-INIZCTEOSA-N 377.485 0.829 0 50 GCAA CCn1cc(CN2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)c(C)n1 14536880 KJDQUZBNPGUQFP-RTBURBONSA-N 381.480 0.965 0 50 GCAA CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 20998092 FOTGJBSYPATLRX-HNNXBMFYSA-N 394.541 0.935 0 50 GCAA Cn1ncc(N2CCO[C@H](CCNC(=O)c3cnn4c3CCCC4)C2)cc1=O 72129481 YGDMETFSNVLETE-OAHLLOKOSA-N 386.456 0.338 0 50 GCAA CN(C)CCNC(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCO1 72477226 LQONBSXXTJEEOQ-SFHVURJKSA-N 375.448 0.890 0 50 GCAA CCCN1CCN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H]2CS(=O)(=O)C[C@H]21 77505446 FLXYIYOVVHAQKY-CVEARBPZSA-N 396.509 0.966 0 50 GCAA O=C(NC1CCC1)c1cccc(S(=O)(=O)NCCN2CCC(O)CC2)c1 95386343 WUMAMSPKOGSUMT-UHFFFAOYSA-N 381.498 0.704 0 50 GCAA O=C(NCCn1ncc2ccccc2c1=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95499125 JTQFBIUULKUPMA-INIZCTEOSA-N 391.431 0.956 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CSc2ccccn2)CN1C(=O)C1CC1 96137673 NWLKDPPQGWAWEC-KGLIPLIRSA-N 376.482 0.806 0 50 GCAA COc1ccccc1-n1cc(CNC(=O)N2CCN3CCNC(=O)[C@@H]3C2)cn1 426517826 KHVBIMQYRFCDND-INIZCTEOSA-N 384.440 0.207 0 50 GCAA COc1cc(CCNC(=O)N2CCc3c(c(C(N)=O)nn3C)C2)cc(OC)c1 670466925 BXZNLRSHHJIJRX-UHFFFAOYSA-N 387.440 0.847 0 50 GCAA CC(C)c1nc(CN2CCC[C@H](CNC(=O)CN3C(=O)CN(C)C3=O)C2)no1 827827462 HHSJJMXUSQDSEH-CYBMUJFWSA-N 392.460 0.415 0 50 GCAA CCOCCC(=O)N1C[C@@H]2CN(CC(=O)NCc3ccccc3)C[C@@]2(CO)C1 1772709129 MJJQJKUUUSHARV-RXVVDRJESA-N 389.496 0.482 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)c3cc(O)nc4ccc(C)cc34)C[C@]2(CO)C1 1772710390 QUDCSQFNNNYVBP-SZNDQCEHSA-N 399.447 0.788 0 50 GCAA CC[C@]12COC(=O)N1CCN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)C2 1857681687 JCSRQFFVZDNONG-INIZCTEOSA-N 381.410 0.737 0 50 GCAA N=c1nc(-c2ccccc2)c(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c[nH]1 1857724605 KDWZVTMBCPLYQJ-JYJNAYRXSA-N 383.452 0.510 0 50 GCAA CCOCCNC(=O)[C@@]12CCCCN1C[C@@H](NC(=O)c1ccc(=O)n(C)c1)C2 1875251139 XVRIXPKXFJJORN-JXFKEZNVSA-N 390.484 0.265 0 50 GCAA 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CCC(=O)NCC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2c2ccccc2)C1 1857720090 DHSZEQKEKPDVDB-DOXZYTNZSA-N 387.436 0.486 0 50 GCAA O=C(NCCn1cncn1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857732922 NDBVMHLKZDFWKF-AWEZNQCLSA-N 397.464 0.890 0 50 GCAA CC(C)C(=O)N=[S@@](C)(=O)c1cnn2c1CN(c1cc(O)nc(=O)n1C)CC2 2325785012 ZBKBFHSQGDCUOX-MHZLTWQESA-N 394.457 0.342 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3F)CN2C1=O 14755427 XDSIARMDSYEACR-CQDKDKBSSA-N 377.420 0.544 0 50 GCAA CCCO[C@H]1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 20999772 KNEWPZAJGUZYMT-INIZCTEOSA-N 380.493 0.703 0 50 GCAA COc1ccc(N([C@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC 65365063 SHJJOWFPKIGCEX-CYBMUJFWSA-N 385.486 0.632 0 50 GCAA O=C(CN1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1)Nc1ccccc1 65394815 QSQIAOFIORFZOW-KRWDZBQOSA-N 382.468 0.808 0 50 GCAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1 67842354 QSXOZDIBJFWPIN-VIFPVBQESA-N 387.483 0.239 0 50 GCAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](NC(=O)c2n[nH]c(N)n2)C1 91876640 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0.842 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@H](n2nncc2I)C1 1875340191 PSZOPXQPEPLORZ-QMMMGPOBSA-N 385.231 0.326 0 50 GCAA CN(C)C1(CS(=O)(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)CC1 1875399013 LOAJSUNSKAMPNV-MRVWCRGKSA-N 376.910 0.690 0 50 GCAA Cc1cccc(S(=O)(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)c1 1875400191 SYEGPTRTULXPII-HUUCEWRRSA-N 391.497 0.769 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnn(C)c2)C[C@H]1NC(=O)c1cnn[nH]1 2100547131 BUDIQSGQJSFZJE-SQWLQELKSA-N 389.460 0.548 0 50 GCAA C[C@]1(CNC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CCNC1 2325895501 BUNFFTHGFBCZGE-YWZLYKJASA-N 384.436 0.177 0 50 GCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](O)C(Cl)(Cl)Cl 731995 YCUVPZIWXRUPKS-SNVBAGLBSA-N 387.628 0.636 0 50 GCAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCO1 1060544 ZTZXMOCTGABLCV-OAHLLOKOSA-N 384.454 0.382 0 50 GCAA O=C(O)c1c(S(=O)(=O)NCc2cnn3cccnc23)sc2c1CCNC2 67842834 LZUIPVIUUCAGCB-UHFFFAOYSA-N 393.450 0.613 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 67878962 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Cc1nnnn1[C@@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccccc1 426368320 OBLNYJXNSBWXPB-QGZVFWFLSA-N 375.396 0.863 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C[C@H]2O)n[nH]1 1529174480 VYZIODZXUIIXHF-RDTXWAMCSA-N 381.436 0.798 0 50 GCAA Cc1ccccc1CNC(=O)CN1CC[C@]2(O)CCN(S(C)(=O)=O)C[C@@H]2C1 1565509931 YKMMEGKKJWSASY-HKUYNNGSSA-N 395.525 0.330 0 50 GCAA Cc1oc2c(c1C(=O)N1C[C@H]3COC[C@@H]1CN(CC(=O)O)C3)C(=O)CCC2 1704314841 VWSQRHQIKUXLOU-STQMWFEESA-N 376.409 0.964 0 50 GCAA CCC[C@H]1COC[C@H]2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)CCN12 1857730176 LEXMCJLKPUAHAW-DLBZAZTESA-N 388.516 0.554 0 50 GCAA COCn1ncc(C)c1CN[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1OC 1875397583 FWISIKUUQMWKRH-ZBFHGGJFSA-N 375.477 0.645 0 50 GCAA Cc1conc1CN1C[C@@H](CC(=O)N[C@H](C)c2nnnn2C)OCC12CCC2 2325785199 JNZWGXHRLYEPBS-ZIAGYGMSSA-N 389.460 0.898 0 50 GCAA CN(C[C@H](O)CNC(=O)c1cccc(N(C)C)c1)C(=O)[C@]1(C)CCNC(=O)C1 2325826696 JUKNZPHJKSVQPD-OXQOHEQNSA-N 390.484 0.218 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NC4(C(=O)O)CCC4)cccc3C2=O)C(=O)N1 2325897301 UCIGERHPJCKTNE-CYBMUJFWSA-N 385.376 0.185 0 50 GCAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CCN(C(=O)c3nc[nH]n3)CC1)C2 67540295 BTAPKSUURDKYKV-LBPRGKRZSA-N 387.444 0.425 0 50 GCAA COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 71754823 FIOIIYDOMLGHLX-UHFFFAOYSA-N 375.878 0.652 0 50 GCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]3C1=O 77521596 PHWWQOXCOARZOY-NUXNZHGMSA-N 382.482 0.072 0 50 GCAA CN1CCN(CC(=O)N2CCOCC2)C[C@@]12CCC(=O)N(CC1CC1)CC2 91574536 OAZLJHSWKGSCPI-FQEVSTJZSA-N 378.517 0.254 0 50 GCAA CN(CCO)C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C[C@@H]1CO 91997245 NBGMQFNYPRGKAX-IAGOWNOFSA-N 394.487 0.865 0 50 GCAA CC[C@H](O)Cn1nc(Cc2cccs2)nc1CCn1ccc(=O)[nH]c1=O 96162448 PGQSZDQRHVNRHT-LBPRGKRZSA-N 375.454 0.794 0 50 GCAA COc1cccc(C(=O)NCC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 183429985 TYXJBCFWFZXVAX-UHFFFAOYSA-N 385.468 0.893 0 50 GCAA CC[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2noc(C)n2)c1)C(=O)NC 215723861 XQKHOGVTSIDGDS-ZDUSSCGKSA-N 395.441 0.111 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2scc3c2OCCO3)C1 244605533 FAGPKGVDZVMKNO-PHIMTYICSA-N 394.453 0.926 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1n[nH]c3c1CCCC3)C2 247975878 WHKDOMBRWXMWAQ-OLZOCXBDSA-N 381.502 0.631 0 50 GCAA COc1ccccc1CC(=O)N1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)O)C1 248251291 PSGQZOKNEIFDTQ-GUYCJALGSA-N 382.438 0.042 0 50 GCAA C[C@@H](C(=O)NC1CCN(CC(=O)N(C)C)CC1)n1nnc(-c2ccccc2)n1 266304279 DMRZDYOWIPKAIM-AWEZNQCLSA-N 385.472 0.570 0 50 GCAA NC(=O)Cn1cc(C[C@H]2NC(=O)N(Cc3c(F)cccc3Cl)C2=O)nn1 275258277 HOQCZRIHZFKHIS-GFCCVEGCSA-N 380.767 0.219 0 50 GCAA COCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)OC 292263348 VYHOBSZJAWVRLQ-SJORKVTESA-N 375.425 0.909 0 50 GCAA Cc1nc(CN2CCC[C@@H](NC(=O)N3CC(NC(=O)C4CCC4)C3)C2)no1 368410962 MSDGMXZHIOUHRB-CQSZACIVSA-N 376.461 0.653 0 50 GCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 426412370 KIHFQKJSYPCJHM-GJZGRUSLSA-N 375.429 0.926 0 50 GCAA NC(=O)CN1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 757836535 ARSDROCUKNOQLH-UHFFFAOYSA-N 380.392 0.350 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)c2onc3c2CCCC3)[C@@H]2CS(=O)(=O)C[C@@H]21 1565506824 RJNCCOKUEPBHIU-KGLIPLIRSA-N 396.469 0.158 0 50 GCAA CS(=O)(=O)N1C[C@@H]2CN(CCCOCc3ccccc3)C[C@]2(C(=O)O)C1 1565512700 RJQMUUVAQFBOTP-WMZOPIPTSA-N 382.482 0.871 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1704300450 VVMHNGJTAOPIDB-MLGOLLRUSA-N 379.413 0.856 0 50 GCAA CN1CCCN(CC(=O)N2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)CC1 1704338195 NSMKEEAVQJXWGB-RXVVDRJESA-N 389.496 0.531 0 50 GCAA CN1C(=O)N(C)C2(CCN(C(=O)c3cc(N4CCOCC4)no3)CC2)C1=O 1772814242 POIDIUTUAQREAC-UHFFFAOYSA-N 377.401 0.010 0 50 GCAA CCN(CC)C(=O)CN1CCC2(CC1)Cn1nc(C(=O)N(C)C)cc1CO2 1775962210 ZFWCNXWRNQAUJJ-UHFFFAOYSA-N 377.489 0.818 0 50 GCAA Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3cnc(N(C)C)nc3C)CC[C@H]2O)c1 1857667886 QLEARTKHEDTONV-IAGOWNOFSA-N 398.467 0.560 0 50 GCAA CCc1nc(CN2CCC3(CC2)CC(=O)N(Cc2ccnn2C)CCO3)n[nH]1 1857688759 ZVAHACWHOGEAGZ-UHFFFAOYSA-N 387.488 0.884 0 50 GCAA Cn1cc(C(=O)N2CCC([C@@H](O)CN3C[C@H]4C[C@@H](O)C[C@H]4C3)CC2)ccc1=O 1857729255 BMXIJYWHOGDNEL-RDGPPVDQSA-N 389.496 0.301 0 50 GCAA CCC[C@H](C(=O)N(C)C[C@@H](O)CN1CCc2ccccc2CC1)S(N)(=O)=O 1875267826 PYAYZHBLGGQKJE-QZTJIDSGSA-N 397.541 0.364 0 50 GCAA CCCc1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCCCn3cccn3)C[C@H]2O)n[nH]1 2100482368 UIXHPBHCDOGELR-YSVLISHTSA-N 388.472 0.635 0 50 GCAA Cn1nccc1C(=O)N[C@@H]1CC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n2ccnc21 2332237797 LVVBRQSRFFLXSA-KQTLUZQSSA-N 396.451 0.596 0 50 GCAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NN2CCOCC2)cc1 2853538 OQDWUQJHEWVYCB-UHFFFAOYSA-N 394.482 0.811 0 50 GCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(N2CCSCC2)CC1 15079529 DWLMAZZHMVEVMB-KRWDZBQOSA-N 382.574 0.873 0 50 GCAA COc1ccc(Cl)cc1N(CC(=O)N1CCN(C)CC1)S(C)(=O)=O 19589725 ZVRVLIXMQKCXSI-UHFFFAOYSA-N 375.878 0.889 0 50 GCAA NC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71759701 CGKDRPGWJMJLFX-GOSISDBHSA-N 384.524 0.932 0 50 GCAA COC(=O)c1ccc(S(=O)(=O)N2CCc3c(ncnc3N(C)C)C2)n1C 71764032 RPFDHPGYJFBYNU-UHFFFAOYSA-N 379.442 0.415 0 50 GCAA CCc1nnc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)o1 72476251 HGRNOSIJXPXNGP-AWEZNQCLSA-N 375.477 0.972 0 50 GCAA COC(=O)C1(O)CCN(C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 170591449 ZYPHMSZDJAGZCU-UHFFFAOYSA-N 392.441 0.916 0 50 GCAA Cc1cc(Cn2c(=O)c(C)cn([C@@H]3C[C@@H](O)[C@@H](CO)O3)c2=O)c2ccccc2n1 222029848 HVDOYRQARCIKRC-QRVBRYPASA-N 397.431 0.864 0 50 GCAA O=C(C[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCN1CCOCC1 223229619 XMYWNPCSUDVNPX-MRXNPFEDSA-N 392.431 0.127 0 50 GCAA CC(=O)NCCN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)[C@H](C)C(=O)O 262164803 CNNKATPQJPVAQA-LLVKDONJSA-N 385.442 0.038 0 50 GCAA Cc1nc2cc(C(=O)N[C@@H]3CCN(CC(=O)N(C)C)C[C@H]3O)ccc2s1 299783861 VIUZKHOGXYAITC-UKRRQHHQSA-N 376.482 0.858 0 50 GCAA CC(C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccn1 408514345 UCCPEJIJZSJDAX-UHFFFAOYSA-N 385.467 0.932 0 50 GCAA CCN1C(=O)COc2ccc(NC(=O)NCCCN3CCNC(=O)C3)cc21 426370237 CCMMOZCQLROCOJ-UHFFFAOYSA-N 375.429 0.375 0 50 GCAA O=C(O)c1ccnc(-c2ccc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)cc2)c1 426372523 VJSVSQBEFUGMPN-QGZVFWFLSA-N 380.404 0.703 0 50 GCAA CN(C)c1ccc(-c2ccc(C(=O)NCCCN3CCNC(=O)C3)cc2)nn1 426685363 NHYQUGXWQWIDCS-UHFFFAOYSA-N 382.468 0.761 0 50 GCAA Cc1cc(-c2ccc(C(=O)NCc3nn[nH]n3)cc2)nc(N2CCOCC2)n1 534650487 UNCNOQBFPCNRMA-UHFFFAOYSA-N 380.412 0.732 0 50 GCAA CN1C[C@@]2(CCN(C(=O)NCCn3ncc4ccccc4c3=O)C2)OCC1=O 584894861 VIAILGKNBVMNNV-LJQANCHMSA-N 385.424 0.039 0 50 GCAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nncn1CCc1ccccc1 670438462 XQPYTMQHRWSYRB-HNNXBMFYSA-N 377.470 0.561 0 50 GCAA Cc1cnccc1C(=O)NC[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 827928396 PGKCZHXIXVNQQE-CQSZACIVSA-N 382.486 0.427 0 50 GCAA C[C@@H]1CN(S(=O)(=O)CCNC(=O)N2CCc3ccnc(O)c3C2)C[C@@H](C)O1 888102472 OWSRYBIVGGNNHW-CHWSQXEVSA-N 398.485 0.294 0 50 GCAA Cc1ccc2nc(COC(=O)[C@H](CO)NC(=O)c3ccccc3)cc(=O)n2c1 917501903 HMZCZWMAHWCZQJ-INIZCTEOSA-N 381.388 0.837 0 50 GCAA COc1cccc(C(=O)NCCC(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)c1 1076056044 IRUBINBKKVSKDV-SJORKVTESA-N 385.424 0.779 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1O 1529134136 XUTJHAYMMMVUJO-AAEUAGOBSA-N 376.862 0.753 0 50 GCAA COc1cc(F)c(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1OC 1616083438 UNINASNQUCMQNO-OCCSQVGLSA-N 376.450 0.527 0 50 GCAA O=C(Cc1ccsc1)N1C[C@H]2CN(C(=O)c3ncccc3O)C[C@@]2(CO)C1 1772704888 UHWYUOOAGPGMQX-IFXJQAMLSA-N 387.461 0.984 0 50 GCAA NC(=O)Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccc3c(c2)OCCO3)n1 1857674932 DLSJRJIARMUDGH-LLVKDONJSA-N 381.396 0.388 0 50 GCAA Cc1ccc2oc(N3CCC(c4nc(CC(N)=O)nn4CCCO)CC3)nc2n1 1857678653 JGQTYXZHKLHGEV-UHFFFAOYSA-N 399.455 0.917 0 50 GCAA Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3n[nH]c(=N)s3)C2)oc1C 1857683887 PYNRMAFXMXVWQF-SJKOYZFVSA-N 377.470 0.925 0 50 GCAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H]2CN(Cc3ncc[nH]3)C[C@]2(CO)C1 1857704071 CIKJFNGFWFRHMJ-YCRPNKLZSA-N 398.511 0.897 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3ccc(-n4cncn4)c(C)c3)C2)cc[nH]1 1875398012 XIYFYZNHUNCPQD-AEFFLSMTSA-N 394.483 0.823 0 50 GCAA Cn1cc(Br)c(OCC(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)n1 1875400816 NFYBIHGAMHMTLI-CYZMBNFOSA-N 398.261 0.714 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCC[C@@H](C(=O)O)C4)cc3C2=O)C(=O)N1 2325895535 CPNIJDKZFFKIQL-HIFRSBDPSA-N 399.403 0.384 0 50 GCAA Cc1cc(Cl)c(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1OCC(N)=O 4644023 ZWQUONDAOXPBAZ-UHFFFAOYSA-N 390.845 0.998 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOC(C)C)c(OC)c1 12004990 GFHTWJRBTUHKOP-KRWDZBQOSA-N 393.484 0.936 0 50 GCAA CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)[C@H]1CCS(=O)(=O)C1 49547423 JMMHWMPVOADCQE-LBPRGKRZSA-N 379.413 0.695 0 50 GCAA Cc1c[nH]c(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71747901 IRDINDBYEGRXFF-INIZCTEOSA-N 389.500 0.894 0 50 GCAA CCN1CCN(CCN2CC3(CCN([C@@H]4CCCNC4)CC3)OC2=O)CC1 72435544 STHSQXCXDBCAMF-GOSISDBHSA-N 379.549 0.663 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC(O)CC3)[C@@H]4C2=O)c1 77376882 ZZLMBBOQSVMEKL-VWNVYAMZSA-N 398.459 0.961 0 50 GCAA CN1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@]12CCNC(=O)CC2 91745439 RHHLYLPBZMWWTA-FQEVSTJZSA-N 376.476 0.771 0 50 GCAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ncccc2O)CC1 96149524 SFEXRHHXCFYPJK-UHFFFAOYSA-N 386.456 0.768 0 50 GCAA COCCN1CC[C@]2(CCC1=O)CN(CCC(=O)N1CCCC1)CCN2C 108034036 XHBPDRPTJUZHBX-HXUWFJFHSA-N 380.533 0.644 0 50 GCAA CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 229972650 SOWXVCDNJVLHRO-FUHWJXTLSA-N 382.482 0.785 0 50 GCAA O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@H](C(=O)O)[C@@H]1CCCOC1 262726231 GOLKEGCORQYPDQ-ABAIWWIYSA-N 388.417 0.490 0 50 GCAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 328611857 MXLWCTVJRDJVQC-MRXNPFEDSA-N 381.410 0.685 0 50 GCAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)Cn3ccc(O)nc3=O)c2)n1 447673985 XZVIWALGWKHTRG-UHFFFAOYSA-N 398.379 0.227 0 50 GCAA Nc1nc2c(c(C(=O)NCCn3nc(O)c4ccccc4c3=O)n1)CCCC2 827587404 YWQVMHPXFPCHFZ-UHFFFAOYSA-N 380.408 0.783 0 50 GCAA CN1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 849511289 OVXIORPUXCGENL-DLBZAZTESA-N 380.456 0.748 0 50 GCAA CN1C(=O)[C@H](CC(=O)N2CCC(CNC(=O)c3ccco3)CC2)N(C)C1=O 952973548 AMGJMJBRBAXXJY-ZDUSSCGKSA-N 376.413 0.531 0 50 GCAA Cc1ccc(OC(C)(C)C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1616093406 DGYKGDLNCUDKFQ-ZBFHGGJFSA-N 384.498 0.863 0 50 GCAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(c3nccc(C)n3)CC2)[C@H]1O 1772700691 GJZOABSDTKRFMJ-FUHWJXTLSA-N 378.473 0.817 0 50 GCAA O=C(Cn1cc2ccccc2n1)N1C[C@@H]2CN(Cc3cncnc3)C[C@]2(CO)C1 1772808745 ZXHIYDJDTVGHPK-GHTZIAJQSA-N 392.463 0.779 0 50 GCAA COCCN=c1[nH]c2cc(C(=O)N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)ccc2n1C 1857724146 NSFVPGVBVBCOPZ-IMJJTQAJSA-N 387.484 0.645 0 50 GCAA CC[C@H]1[C@@H](C(=O)N2CCCCC2)C[C@H]2CN(C(=O)c3ccc(=N)[nH]c3)CC(=O)N21 1857739326 ILWXNVTXYNACRE-ULQDDVLXSA-N 399.495 0.958 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2c3c(nn2C)CCOC3)ncn1 1875397926 UDXCUDGUXNSVQZ-ZIAGYGMSSA-N 387.488 0.078 0 50 GCAA CC1=CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)c2ccc(F)nc2)C1 2325885919 SPGBPYPDKFHWPK-ZIAGYGMSSA-N 381.429 0.542 0 50 GCAA CCN1CCO[C@@H](CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 4702832 FEZRAXBMCLKMBC-AWEZNQCLSA-N 378.381 0.836 0 50 GCAA O=C(C[C@@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O)Nc1ccccc1 72477163 UOKFUKWFWATMAC-OAHLLOKOSA-N 386.408 0.183 0 50 GCAA O=C(c1ccc[nH]c1=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77287746 GAECNJINKBKEIW-SJORKVTESA-N 387.461 0.499 0 50 GCAA Cn1c(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cc(=O)n(C)c1=O 223219792 GINQJVAMPTYWAH-HIFRSBDPSA-N 377.372 0.189 0 50 GCAA CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H](OCCN3CCCCC3)C2)CC1 229880998 VCPSEROHBTWMQQ-PKOBYXMFSA-N 380.533 0.642 0 50 GCAA C[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[S@@]1=O 252488309 IOVSMEHMUHUXFZ-YTEVENLXSA-N 394.540 0.469 0 50 GCAA COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2S(=O)(=O)c2cnc3c(cnn3C)c2)O1 252571730 YLPNCNLREQUNDC-QOWREQOWSA-N 394.453 0.840 0 50 GCAA CN(C)CCN(CC(=O)O)C(=O)c1sccc1S(=O)(=O)N1CCCC1 426541660 VANDDZVMGVDLRA-UHFFFAOYSA-N 389.499 0.621 0 50 GCAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C(N)=O)C3)C2=O)c1OC 426647445 ZYWVZGHGGSWDMA-IBGZPJMESA-N 375.425 0.530 0 50 GCAA COc1ccccc1CN1CCN(C(=O)NCCc2noc(CO)n2)CC1 584885674 ACYRETTXPRWWBV-UHFFFAOYSA-N 375.429 0.640 0 50 GCAA O=C(NCCc1nc(-c2cccnc2)no1)c1cn(C[C@H]2CCCNC2)nn1 670466583 JTSMDGPZCONBQW-ZDUSSCGKSA-N 382.428 0.695 0 50 GCAA COC(=O)c1cn([C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)cc2c(O)nnc1-2 888090009 VUMLHMHDBDRPRN-GIPNMCIBSA-N 392.393 0.563 0 50 GCAA Cc1cccc(CN2C[C@H]3CN(C(=O)CCC4=NNC(=O)CC4)C[C@]3(CO)C2)n1 1772814250 PRMSGJJMDJCDTQ-KKSFZXQISA-N 399.495 0.689 0 50 GCAA CC(C)c1cc(N2CCO[C@@](C)(CNC(=O)CC3CS(=O)(=O)C3)C2)ncn1 1775991576 LGMFWNLKHGAVAV-SFHVURJKSA-N 396.513 0.746 0 50 GCAA Cn1cc(Br)c(OCC(=O)N[C@H]2C[C@H](Cn3ccnc3)C[C@@H]2O)n1 1857531122 ORAQTWCKRAWDKS-DRZSPHRISA-N 398.261 0.714 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]12)c1ccccc1 1857685172 DLJZLQSMFJONLX-BBWFWOEESA-N 392.477 0.467 0 50 GCAA Cc1ccn(CC(=O)N2CC[C@@]3(C2)Cn2c(nnc2C2CCOCC2)CO3)n1 1857685829 WJEQLVSDAMRSHZ-LJQANCHMSA-N 386.456 0.879 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)c2ccc(OC)c(OCCN)c2)CC[C@H]1O 1857712080 KTHVXFXXMWXJEP-QUCCMNQESA-N 396.484 0.645 0 50 GCAA CC(C)N(C)S(=O)(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857732987 PRYPMGZTBYLXPT-ROUUACIJSA-N 398.529 0.741 0 50 GCAA O=C1CN(C[C@H](O)C2CCN(C(=O)COCc3ccccc3)CC2)CCN1 1857737263 DFAUSIXWHXSQNG-SFHVURJKSA-N 375.469 0.235 0 50 GCAA CCn1cnc2c1CCN(C(=O)[C@H]1c3cnn(C)c3CCN1S(C)(=O)=O)C2 1875396261 ZZDHFDXGYJAHLU-MRXNPFEDSA-N 392.485 0.080 0 50 GCAA CN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1=O 2356166626 GGRASCCXFLQVHN-GOSISDBHSA-N 392.481 0.653 0 50 GCAA Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCC1 13583132 WZLVAQVWCZZVCV-UHFFFAOYSA-N 381.498 0.842 0 50 GCAA COCC(=O)NC[C@]1(O)CCCN(S(=O)(=O)c2ccc(C)s2)CC1 72125288 XGPXZXKUPGYUGJ-HNNXBMFYSA-N 376.500 0.725 0 50 GCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCCSc2ccccc2)[C@@H]3C1=O 216426428 SQAHXXBYLHLEPX-GGXPGOJBSA-N 375.494 0.860 0 50 GCAA CN1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 229983280 IJPWKTFQXGTVAK-STQMWFEESA-N 390.506 0.024 0 50 GCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)Cc1ccccc1)C2 247981696 JPAJARGSSAQEEF-CVEARBPZSA-N 379.482 0.527 0 50 GCAA CCCCN1CCn2nc(CNS(=O)(=O)c3cnc(O)nc3O)cc2C1 426503647 ZJBNFLLPVDYRMD-UHFFFAOYSA-N 382.446 0.179 0 50 GCAA CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 732604739 LKQAEPCNPQOWCI-UHFFFAOYSA-N 378.447 0.692 0 50 GCAA COc1cccc(SCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704300739 VUDXSUOGUNVQCH-WFASDCNBSA-N 388.511 0.810 0 50 GCAA CO[C@]1(CNC(=O)N2CCN(c3ccncc3C)CC2)CCCS(=O)(=O)C1 1875324913 NUIYYNJXJOJUSI-SFHVURJKSA-N 396.513 0.815 0 50 GCAA Cn1cncc1-c1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875356045 RVZZEYREVMYEDE-OAHLLOKOSA-N 391.391 0.429 0 50 GCAA CC(C)S(=O)(=O)CCNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100478300 ZRIYZFMJDZXZBL-SJORKVTESA-N 395.481 0.452 0 50 GCAA CC(C)C(=O)N=[S@](C)(=O)c1cnn2c1CN(c1cc(O)nc(=O)n1C)CC2 2325785011 ZBKBFHSQGDCUOX-HHHXNRCGSA-N 394.457 0.342 0 50 GCAA COC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1 2325818907 DZIUQQQMJLZFLM-UHFFFAOYSA-N 376.369 0.250 0 50 GCAA CC(C)[C@H](NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895692 GSRNUPWXGFRTBA-ZFWWWQNUSA-N 387.392 0.287 0 50 GCAA NCCCOCCCOc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325899224 VMSMHDWWGFBHNM-OAHLLOKOSA-N 389.408 0.222 0 50 GCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc(-c2ccncc2)no1 12579881 LKKITFQCPAWZMZ-OAHLLOKOSA-N 386.456 0.937 0 50 GCAA O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](CO)C(=O)N2C1 14536662 KKFWGEWARPGNII-SRVKXCTJSA-N 386.330 0.287 0 50 GCAA CN(CC[C@H]1CCCCO1)C(=O)CCCn1nnnc1CN1CCOCC1 14981657 WBVIETUKQAXLLX-MRXNPFEDSA-N 380.493 0.703 0 50 GCAA CCCN(C[C@H]1CCCO1)C(=O)CCCn1nnnc1CN1CCOCC1 23129549 PKMFFBMVAOBEGV-MRXNPFEDSA-N 380.493 0.703 0 50 GCAA C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12 40721293 GXXLUDOKHXEFBQ-YJFSRANCSA-N 383.495 0.660 0 50 GCAA in-vitro COC(=O)[C@@H]1N[C@H](c2cc(Cl)cc(OC)c2OC)[C@@H]2C(=O)N(C)C(=O)[C@H]12 65394170 OMHCALCGHFSWNM-YVECIDJPSA-N 382.800 0.774 0 50 GCAA CCn1c(C2CCN(C(=O)Cc3ccc4c(c3)NC(=O)CO4)CC2)n[nH]c1=O 67654656 ARUOTVFSWQAVEP-UHFFFAOYSA-N 385.424 0.871 0 50 GCAA Cc1nn(CC(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1C 72474719 MSNDFGAZPVUJHL-SJORKVTESA-N 380.514 0.528 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C)N)C2 77426272 AVJPTFXTFDSDJW-XJKSGUPXSA-N 381.498 0.718 0 50 GCAA COCC(=O)N1CCN(Cc2cc(CC(C)C)[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 77439175 ALWHQZWSANJTRO-JKSUJKDBSA-N 384.502 0.064 0 50 GCAA O=C(c1ccccn1)N1CCN(C(=O)c2ccoc2)[C@H]2CS(=O)(=O)C[C@H]21 77458734 ZWFCTLGDCMOMLB-LSDHHAIUSA-N 375.406 0.438 0 50 GCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 91270499 KSHBBXBAIXBJJL-UHFFFAOYSA-N 376.457 0.411 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91933032 GJWXLFAVAYYNPH-HUUCEWRRSA-N 381.498 0.419 0 50 GCAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H]2CCN(C)C2=O)CC1 95528904 OJBVZIJVZSNMOS-MRXNPFEDSA-N 389.452 0.663 0 50 GCAA Cc1nnc2ccc(-n3nc(C4CCOCC4)nc3CCn3cnnn3)nn12 96153805 GSRLJQQAEACHLH-UHFFFAOYSA-N 381.404 0.137 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)n[nH]1 97569006 JMBOEEUXECZHKC-GFCCVEGCSA-N 379.442 0.358 0 50 GCAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4cccn4C)CC3)cc2c(=O)[nH]1 169777011 RELJTLJFTATJGA-UHFFFAOYSA-N 382.424 0.704 0 50 GCAA CC(=O)O[C@H](C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1)C(F)(F)F 170602037 YJSFZSOOMDPXMM-CYBMUJFWSA-N 398.345 0.805 0 50 GCAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCOC3)c2)no1 215532642 VTEJCKWPHCJTHL-LBPRGKRZSA-N 380.426 0.623 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C1 244787529 PYRBCJRHYCQYEE-OKILXGFUSA-N 384.440 0.980 0 50 GCAA CCc1cnc(C)nc1N1CC[C@]2(O)CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 247956559 ONQBOAXCIMVMLM-RDJZCZTQSA-N 383.518 0.417 0 50 GCAA Cn1cc([C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)[C@H]2C[C@@H](O)C2)cn1 252537323 KYKCGCAWIYYFLH-BPYAMOTFSA-N 382.417 0.449 0 50 GCAA COc1cccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)c1 252570990 XMYDQIPAALKJKW-YRPRCUQKSA-N 379.478 0.529 0 50 GCAA CN(CC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O)S(C)(=O)=O 262207242 VJTCKEILDTYNEO-NSHDSACASA-N 383.253 0.997 0 50 GCAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)[C@H](c4ncc[nH]4)C3)cc21 328631443 QXYQIGLNDSBEQW-KRWDZBQOSA-N 389.481 0.996 0 50 GCAA CC(=O)N1CCN(C(=O)[C@H](C)N2C(=O)C[C@@]3(CCc4ccccc43)C2=O)CC1 329688715 AYURFIJULSXWPJ-LHSJRXKWSA-N 383.448 0.709 0 50 GCAA CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)nn1 375491187 SZXOUHXOPXMSRD-CYBMUJFWSA-N 383.474 1.296 0 50 GCAA Cc1nnc(CNC(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)o1 426479723 KGZSTNYLVIAMIX-UHFFFAOYSA-N 386.478 0.326 0 50 GCAA Cc1ccc(-c2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3NS(C)(=O)=O)n[nH]2)o1 1074609994 HRGWRNFWMDCTKJ-FLCCKXIQSA-N 380.426 0.413 0 50 GCAA O=C(c1ccc(N[C@H](CCO)C2CCOCC2)nc1)N1CCS(=O)(=O)CC1 1320638518 SADVFRVKPSGFSR-MRXNPFEDSA-N 397.497 0.542 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H]1O 1615740325 VGMNDQOGNFFNNY-MFKMUULPSA-N 378.397 0.054 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1cn2cccnc2n1 1857678849 SNTKVYBZUHYTBA-STQMWFEESA-N 399.432 0.683 0 50 GCAA Cc1nc(N2CCCN(S(=O)(=O)N3CCOCC3)CC2)c2[nH]ccc2n1 1857689966 QVNFEBVZQLVRDE-UHFFFAOYSA-N 380.474 0.355 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cccc4c3OCCO4)C[C@H]2CO1 1857735747 ISQXMTAMFSDUDF-KKUMJFAQSA-N 389.452 0.508 0 50 GCAA Cc1ccccc1CNC(=O)[C@H]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1875243177 UPILDGBQZHVEPV-XIRDDKMYSA-N 386.456 0.334 0 50 GCAA O=C(O)c1cc2n(n1)CCN(CCN1CCN(Cc3ccccc3)CC1)C2=O 1875245687 LVITTZJVESKMIB-UHFFFAOYSA-N 383.452 0.855 0 50 GCAA CS(=O)(=O)N=c1cc[nH]c(C(=O)N2CCOc3ccccc3[C@@H]2CO)c1 1875343854 WTHWSYLLVPEMOP-HNNXBMFYSA-N 377.422 0.443 0 50 GCAA O=C(CNCc1ccc(Br)cc1OC1CC1)N[C@@H](CO)C(=O)O 2325869039 WXAWPBIKAKOEGH-LBPRGKRZSA-N 387.230 0.642 0 50 GCAA C[C@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCCNC1 2325896944 KWUOIRIWPMSNTR-IERDGZPVSA-N 398.463 0.567 0 50 GCAA CN1CC[C@@H](O)[C@H](C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 2356136003 CHVWPRIYYXRDLF-NXEZZACHSA-N 379.408 0.518 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 864252 SZTKMOLGUNGKDK-CVEARBPZSA-N 393.465 0.714 0 50 GCAA CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1 12758762 WLIYNWYXFRGQFW-KRWDZBQOSA-N 388.468 0.678 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F 77286614 CQAULZCLXAXFMS-LSDHHAIUSA-N 383.445 0.739 0 50 GCAA CN1CC2(CCC1=O)CCN(S(=O)(=O)c1cccc3nn(C)nc13)CC2 91255898 WKPRLMLKDWEZNR-UHFFFAOYSA-N 377.470 0.991 0 50 GCAA CC(C)c1cc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)nc2ncnn12 95379621 LMCATVMBAHAYAA-LJQANCHMSA-N 385.472 0.674 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(C)nc1)CC2 95502705 NNVDHEIEEXGHSX-UHFFFAOYSA-N 384.440 0.671 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC(C)(C)c1nnc(N)s1 97819556 NNDRTVANFAPBKL-UHFFFAOYSA-N 376.490 0.636 0 50 GCAA CN1CCCN(CC(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 107012763 SIKSIBZJKXZDHK-SFHVURJKSA-N 376.476 0.723 0 50 GCAA NS(=O)(=O)N1CCC(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 194879524 YFUROBGDXNFDCC-UHFFFAOYSA-N 381.433 0.543 0 50 GCAA Cn1c(CN2CCC(C(=O)NCc3ccccn3)CC2)nnc1[C@H]1C[C@H](N)C1 244748523 OJCFXZHVMHMYMQ-WKILWMFISA-N 383.500 0.943 0 50 GCAA Cn1ncc2c(O)nc(CN3CCN(C(=O)COc4ccccc4)CC3)nc21 253536797 OXNGKCYIGZWBNE-UHFFFAOYSA-N 382.424 0.792 0 50 GCAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C(N)=O)cn3)cn2)C[C@@H](C)O1 363561069 UXELUHYFFMFSDM-TXEJJXNPSA-N 386.412 0.265 0 50 GCAA COc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)ncn1 364102830 SPLNJXLVLXSPJS-HNNXBMFYSA-N 396.451 0.578 0 50 GCAA CC1(C(=O)N2NC(=O)C[C@@]23CCCN(Cc2nnsc2Cl)C3)COC1 888103434 GZEKSLYTCSHDKI-OAHLLOKOSA-N 385.877 0.826 0 50 GCAA Cc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2c(C)noc2n1 1704301233 QDXPDUSEMFADDK-AAEUAGOBSA-N 382.442 0.476 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)CCn2cc(Cl)cn2)ncn1 1857531236 SZPLGYTZMNFGRX-ZIAGYGMSSA-N 393.879 0.539 0 50 GCAA Cc1nc2ccc(CC(=O)N3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc2[nH]1 1857720692 FQYIIKRPAKGYAK-BBRMVZONSA-N 380.470 0.125 0 50 GCAA C[C@H](C(=O)NC[C@H](C1CC1)N(C)C(=O)Cc1nccs1)N1C(=O)CCC1=O 1875345910 MKHNKKLBFHRIAD-DGCLKSJQSA-N 392.481 0.576 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cnn(CC3CCCC3)c1)C2 1875396193 YJJGBSYEAAMADD-OAHLLOKOSA-N 394.497 0.449 0 50 GCAA COc1c(F)cccc1S(=O)(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccnn2C)C1 1875396616 ORSCDUHBQVREST-TZMCWYRMSA-N 396.444 0.861 0 50 GCAA CC(C)CC[C@H](C)NC(=O)c1csc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)n1 2325825657 YOQJOGVGDWZBSY-SDDRHHMPSA-N 379.486 0.501 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1Cc2ccccc2C1)[C@@H]1CC1(F)F 2332237990 TWICEXCPSUAWNS-QLFBSQMISA-N 398.431 0.455 0 50 GCAA CN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c2cccc3c2c1NC3=O 844107 CJJMTWCKHNPFQA-UHFFFAOYSA-N 383.451 0.906 0 50 GCAA O=C(NCCN1CCCCC1=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 11878713 HFVBBTKKIQMFIS-CQSZACIVSA-N 385.424 0.860 0 50 GCAA COc1nc(C)cc(C)c1CNC(=O)Cn1ncc(N2CCOCC2)cc1=O 23542153 MUVANWVUVXVPHG-UHFFFAOYSA-N 387.440 0.417 0 50 GCAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)nc(O)n1 91256084 AFJBFWVMMTVXJU-CVEARBPZSA-N 378.473 0.712 0 50 GCAA COc1ccccc1OC1CN(C(=O)c2cnc(Cn3cncn3)nc2O)C1 91950633 NUGBBAXWPARTDX-UHFFFAOYSA-N 382.380 0.734 0 50 GCAA C[C@@H](N)[C@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 237344810 JLGMUESGGNNXCQ-ZJUUUORDSA-N 397.277 0.478 0 50 GCAA CS(=O)(=O)CC1CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)CC1 291983240 VLRSINIWKWVKOU-UHFFFAOYSA-N 391.467 0.595 0 50 GCAA CN1CCO[C@H]2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C[C@@H]21 408029912 DNBXOLRMHCROCQ-HOTGVXAUSA-N 382.486 0.874 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 426589823 SXFOEGBSAINHHN-MRXNPFEDSA-N 381.502 0.182 0 50 GCAA O=C(CCCn1cccn1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 747645862 MIKMPXLLQQRGAZ-UHFFFAOYSA-N 387.465 0.957 0 50 GCAA O=C(N1CCCC1)N1CCC[C@H](C(=O)N2CCSC[C@@H]2c2nn[nH]n2)C1 907478803 WGLSJHMFXFLVMG-QWHCGFSZSA-N 379.490 0.744 0 50 GCAA CCc1nnc(CN2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)o1 1565516713 MMXNUJYEPNNAGY-KGLIPLIRSA-N 391.453 0.151 0 50 GCAA CCOCC(=O)N1CCC(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)CC1 1704352028 VXIQPSXLZADOGM-WBVHZDCISA-N 379.457 0.620 0 50 GCAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(N3CCOCC3)no2)CC1 1772809389 AFRQTTOFRBOCHB-INIZCTEOSA-N 375.429 0.831 0 50 GCAA CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc(N3CCOCC3)no2)CC1 1772810122 JGIUFOOZEFEJPE-UHFFFAOYSA-N 379.461 0.184 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857736753 UIVPRJUYJYYVFM-RDJZCZTQSA-N 388.461 0.009 0 50 GCAA C[C@@H](C(=O)c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 4038475 RBXZMIYEVORVMT-ZDUSSCGKSA-N 397.435 0.714 0 50 GCAA O=C(CCCn1nnnc1CN1CCOCC1)NCc1ccc(F)c(F)c1 19789666 LEVICZXJQJVXTN-UHFFFAOYSA-N 380.399 0.880 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3cccs3)no2)C1 67613413 MANDQJLKAZKGEC-NSHDSACASA-N 399.498 0.933 0 50 GCAA CC(C)COC(=O)N[C@H]1CN[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1 67847160 NNWHVOSPADJRFA-WBVHZDCISA-N 375.473 0.843 0 50 GCAA COc1ccc(-c2nc(CN3CCN4C(=O)CNC(=O)[C@H]4C3)c(C)o2)c(F)c1 71771503 LKKVRSRWOBMWEF-MRXNPFEDSA-N 388.399 0.940 0 50 GCAA CC(=O)N1CCN(Cc2cccc(Cn3cccn3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72478457 MESOJZAIINCWFU-RBUKOAKNSA-N 388.493 0.761 0 50 GCAA CN1C[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)c2sccc2S1(=O)=O 91645967 DEYZTDYVTPIDPX-JTQLQIEISA-N 380.451 0.814 0 50 GCAA CNc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1 95509552 JMQURZFXISNLSX-UHFFFAOYSA-N 399.455 0.404 0 50 GCAA CCc1nnc(CN2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 95519486 MMXNUJYEPNNAGY-UONOGXRCSA-N 391.453 0.151 0 50 GCAA NS(=O)(=O)c1ccc(CCNc2ccc(C(=O)N3CCOCC3)cn2)cc1 243195193 KBSVZAHCVFOSOQ-UHFFFAOYSA-N 390.465 0.856 0 50 GCAA COc1cccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c1OC 248139549 PFVSBJPJVFZTSF-GUYCJALGSA-N 384.454 0.482 0 50 GCAA CS(=O)(=O)N1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)CC1 299752503 UIIOXOPOISHYQJ-UHFFFAOYSA-N 392.437 0.678 0 50 GCAA CCN(C(=O)c1cccc(-c2c(C)nn(CC(N)=O)c2C)c1)[C@H]1COC[C@@H]1O 299790096 KYJXIXRRTJJHFG-IRXDYDNUSA-N 386.452 0.874 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cccc3nonc23)C1=O 328608638 ATLUAQMIMFEHCA-LLVKDONJSA-N 376.398 0.430 0 50 GCAA CCCN1CCCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1=O 332935062 LMUNVIALLBTBPC-YOEHRIQHSA-N 387.502 0.377 0 50 GCAA CC(C)Oc1ccc(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)nn1 375491188 SZXOUHXOPXMSRD-ZDUSSCGKSA-N 383.474 1.296 0 50 GCAA CN(C)c1nsc(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)n1 534587727 NAEDFMXDNFIXMJ-VXGBXAGGSA-N 382.467 0.159 0 50 GCAA Cc1nn(Cc2nnnn2CC2CCOCC2)c(C)c1[C@H]1COCCN1C 952895632 UYBVAGRGNBJDDD-MRXNPFEDSA-N 375.477 0.964 0 50 GCAA O=C(C1CCS(=O)(=O)CC1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565511281 KHAKCDBOEVVPJD-KSSFIOAISA-N 379.434 0.901 0 50 GCAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cc(N3CCOCC3)no2)CC1 1772809391 AFRQTTOFRBOCHB-MRXNPFEDSA-N 375.429 0.831 0 50 GCAA O=C(N=c1[nH]nc(CCN2CCOCC2)s1)c1nnc2n1CCCCC2 1875243726 UPMYYBWJRAZHAF-UHFFFAOYSA-N 377.474 0.405 0 50 GCAA O=C1C[C@H]2CCCCN2CCCCN(C(=O)CN2CCOC2=O)CCCN1 2100533451 PNPSZZBQCOQSIR-MRXNPFEDSA-N 380.489 0.812 0 50 GCAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)CCn2ccnn2)CC1=O 2325819972 WUBVJBATFZWYHW-UKRRQHHQSA-N 391.453 0.334 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)cc1 4988398 XBTAZILNJNEQIX-HNNXBMFYSA-N 377.470 0.756 0 50 GCAA CC(C)N1CCCn2nc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2C1 65393391 FTLFYMFYCJVNEW-UHFFFAOYSA-N 376.505 0.343 0 50 GCAA CCN1CCN(CCN2CC3(CCN(C(=O)[C@H](C)NC)CC3)OC2=O)CC1 77353686 QPNKDNQPBVMPDW-INIZCTEOSA-N 381.521 0.045 0 50 GCAA CN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77458504 PAPFGGTUACTXGE-CVEARBPZSA-N 377.466 0.367 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1 91416868 VKGVWABCLPSOPA-GFCCVEGCSA-N 382.417 0.601 0 50 GCAA Cc1nccn1CC1CCN(C(=O)c2cnc(Cn3cncn3)nc2O)CC1 91808332 XIBYJFYDQVMWQP-UHFFFAOYSA-N 382.428 0.879 0 50 GCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)ccc21 95365960 HRBHEUNSTNBEFI-CYBMUJFWSA-N 376.438 0.450 0 50 GCAA C[C@H]1CN(CCN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@@H](C)O1 194022341 JPNWYRSKYNFEJF-OKILXGFUSA-N 396.513 0.607 0 50 GCAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@](C)(O)CO)c2)cc1 225554584 JVYCDIQCFVIAOP-SFHVURJKSA-N 394.449 0.969 0 50 GCAA CCc1ncc(CN2CCN(C(=O)CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cn1 248299774 ZSMQZKASVUVJPY-CVEARBPZSA-N 380.514 0.895 0 50 GCAA COc1ncncc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 286987110 GAMHUBBJQIYGHA-PSASIEDQSA-N 397.379 0.771 0 50 GCAA C[C@]1(O)[C@@H](O)[C@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21 584567020 MMPAUXMIDJWGFO-BFHKRMIJSA-N 383.836 0.836 0 50 GCAA O=C(CCN1CCCC1=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 828057180 JQIBVMRUUOBEEK-UHFFFAOYSA-N 375.425 0.875 0 50 GCAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C 888102595 IXBLMOMMWVERJY-WFASDCNBSA-N 381.502 0.806 0 50 GCAA CS(=O)(=O)Cc1ccc(N2CCC(CNC(=O)[C@@H]3CCOC3)CC2)nc1 952989512 XHWQMBYXIQGNQL-MRXNPFEDSA-N 381.498 0.995 0 50 GCAA O=c1cc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc2sc(C3CC3)nn12 1704301371 WSKWTSSDTULDIY-IUODEOHRSA-N 384.465 0.854 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCC(O)CC2)CC[C@@H]1NC(=O)c1[nH]nnc1C 1857682882 PSUJYROMBOTFFB-BPUTZDHNSA-N 393.488 0.790 0 50 GCAA Cn1cc(C(=O)N2CCC([C@H](O)CN3C[C@H]4C[C@@H](O)C[C@H]4C3)CC2)ccc1=O 1857729254 BMXIJYWHOGDNEL-FCGDIQPGSA-N 389.496 0.301 0 50 GCAA CN(CC(=O)N1CCC[C@@H](C(=O)NS(C)(=O)=O)C1)c1ccc(Cl)cn1 1875390713 BRTNWQMYJPEJSE-LLVKDONJSA-N 388.877 0.486 0 50 GCAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](C(=O)NCCCO)C[C@@H]1O 2100555379 SVRWQGXCZAKJMV-KKUMJFAQSA-N 378.425 0.102 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)c3ccnc(-n4cnnc4)c3)C2)nn(C)c1=O 67872883 DYNYCWMFRVOFGY-AWEZNQCLSA-N 382.428 0.597 0 50 GCAA CC(C)c1ccc(CN2CCC[C@@](O)(CNCCc3n[nH]c(=O)[nH]3)C2=O)cc1 67909089 UONKQGHCZWGSQY-HXUWFJFHSA-N 387.484 0.907 0 50 GCAA 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384.528 0.931 0 50 GCAA Cc1c(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)cnn1C 95500752 SMAKKZNVDXQOAB-OAHLLOKOSA-N 378.454 0.726 0 50 GCAA Cc1nc2ccccc2n(CC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c1=O 95502880 ATVZEIBXVCRWNQ-CQSZACIVSA-N 377.466 0.988 0 50 GCAA CN1CCN(C(=O)CCNC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 194446908 NKMHXRHPCVIUNJ-UHFFFAOYSA-N 388.516 0.509 0 50 GCAA COC[C@@H]1[C@@H](NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H]2CCO[C@@H]21 223540557 OIRKDJMGGMOLSC-MVJTYMMSSA-N 382.482 0.927 0 50 GCAA Cc1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1C(=O)O 284985733 AGNAFDQGXHAGTC-CYBMUJFWSA-N 390.483 0.738 0 50 GCAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1=O 328609998 GJTMDCLTNZLETR-CQSZACIVSA-N 390.421 0.564 0 50 GCAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)n1 328615766 ZEAIEICNXYQRNH-MRXNPFEDSA-N 378.410 0.545 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C(C)=O)c3)C[C@]2(C(=O)O)C1 426399390 JXVIKPSNFCKLFQ-UGSOOPFHSA-N 394.449 0.511 0 50 GCAA 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COc1ccc([C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C)S(=O)(=O)N2)cc1 819632 QGHGEDRFIUYTRU-SJORKVTESA-N 390.465 0.986 0 50 GCAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCN(c4cnccn4)CC3)C2)cc1 14977307 TVQZQPCXEWFQRA-ROUUACIJSA-N 383.452 0.493 0 50 GCAA CCCn1ncc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 77486925 BZXBIZDAPKPJRR-JKSUJKDBSA-N 383.518 0.566 0 50 GCAA O=C1CC[C@]2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1CCc1c[nH]cn1 82160575 ZEBAAAYJXLQBJB-LJQANCHMSA-N 384.440 0.581 0 50 GCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)CN1CCOC1=O)CC2 95383873 ORZPQQIRPVBTQS-UHFFFAOYSA-N 388.428 0.091 0 50 GCAA CS(=O)(=O)NCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95387245 JWFCUWTZFWLECO-SUMWQHHRSA-N 382.438 0.090 0 50 GCAA CCCN1CCN(C(=O)c2nc(N)nc3c2CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 95511522 MXKXIIPJYVBMRL-CABCVRRESA-N 393.513 0.271 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2CC(F)(F)CN2)c1 263200632 IZZQIYCCPLNQET-SKDRFNHKSA-N 390.412 0.035 0 50 GCAA CN1CCN(C(=O)c2cccc(NC(=O)NCc3nnc(N)s3)c2)CC1 299775898 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0.780 0 50 GCAA COCCN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccc(CO)cc1)CCN2C 95387810 ADCBNUREMMNEKT-NRFANRHFSA-N 389.496 0.964 0 50 GCAA COC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 210294988 LYAWZHSPVBBTPF-LRBFIZQNSA-N 392.408 0.519 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)ccc1OC 1506419031 MCYGEWJBNCOZLW-LBPRGKRZSA-N 383.470 0.733 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC2(CC1)CN(C)CCO2 1772804841 VLENRTIULSZQNG-UHFFFAOYSA-N 383.470 0.279 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775981212 BKUQQHNGWNJVKY-HXUWFJFHSA-N 381.484 0.828 0 50 GCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857671551 VDXGWFFTBZRCCC-SFHVURJKSA-N 394.395 0.275 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCC2CCOCC2)C1)c1cnccn1 1857703132 VBSPRNCEIONBTE-OXJNMPFZSA-N 387.484 0.746 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1cc(OC)ccn1 1875249375 ZPLOSSMHKDTLLM-JGGQBBKZSA-N 392.456 0.385 0 50 GCAA 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385.464 0.706 0 50 GCAA CNC(=O)C[C@@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@H]1O 1875403986 OECCLTMMVMGQRK-BXKDBHETSA-N 381.230 0.666 0 50 GCAA Cc1cc(C)n(CCC(=O)N[C@H]2C[C@H](C(=O)NCCc3cnc[nH]3)C[C@@H]2O)n1 2100537288 LQVCCUOFKJTUDP-XIRDDKMYSA-N 388.472 0.228 0 50 GCAA C[C@@]1(CNC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CCNC1 2325895499 BUNFFTHGFBCZGE-MGPUTAFESA-N 384.436 0.177 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)O)C4)cc3C2=O)C(=O)N1 2325896714 DZDDNGWTVLSVPB-SCRDCRAPSA-N 385.376 0.041 0 50 GCAA CN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 12074886 VUINVJNAVDWXGL-LJQANCHMSA-N 383.496 0.854 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)CO)c(OC)c1 15073764 ORLICAPOYPQKSQ-MRXNPFEDSA-N 393.484 0.529 0 50 GCAA O=C(NCc1cccnc1N1CCOCC1)c1ccc(Cn2cnnn2)cc1 67562742 TUHKXFNVEYRPIR-UHFFFAOYSA-N 379.424 0.883 0 50 GCAA Cn1cc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cn1 67909157 GUSDSDZOEQVITM-SFHVURJKSA-N 375.517 0.955 0 50 GCAA 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50 GCAA CC(C)Cc1cc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)[nH]n1 221395025 YXVHAKCJSPTJTR-QGZVFWFLSA-N 381.502 0.899 0 50 GCAA CN(C)C(=O)CN1CCCN(Cc2nnc([C@H]3C[C@H](N)C3)n2C2CC2)CC1 244748631 OLMMPFKMXBUYNC-SHTZXODSSA-N 375.521 0.414 0 50 GCAA CN1CCN(c2cc(N3CC[C@@]4(C3)C(=O)Nc3ccccc34)ncn2)CC1=O 369015285 FBGMGKLIQAIWAO-FQEVSTJZSA-N 378.436 0.855 0 50 GCAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 740816681 MGEAPYNZKJRCAT-QWHCGFSZSA-N 375.491 0.784 0 50 GCAA COc1cc(C)c(-c2cccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c2)cn1 1565505603 YCMVGOFEFWWZGT-HOTGVXAUSA-N 376.434 0.953 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(-c2cnco2)cc1 1704298992 LNCBKVXZGORZBQ-GJZGRUSLSA-N 379.438 0.978 0 50 GCAA CN1CCn2nc(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)cc2C1=O 1857679748 SZGIDWZFLXNFAR-UHFFFAOYSA-N 392.419 0.622 0 50 GCAA Cc1cc(CC(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)on1 1857681026 ZRHRCAQGQIMQCV-STQMWFEESA-N 377.422 0.866 0 50 GCAA 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NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc3nonc23)cc1 17078068 HAPLAKSFQQCIBH-UHFFFAOYSA-N 382.423 0.391 0 50 GCAA CO[C@@H](CNC(=O)CCCn1nnnc1CN1CCOCC1)c1cccs1 19743379 LOEVHBDAMDSSBX-AWEZNQCLSA-N 394.501 0.851 0 50 GCAA CNS(=O)(=O)CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67446930 ACVGAIFTECPKJY-KRWDZBQOSA-N 375.535 0.449 0 50 GCAA CCc1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)ccn1 82121029 WCQSGHNLZLKMEF-UHFFFAOYSA-N 377.470 0.936 0 50 GCAA CN(C)C(=O)N1CCCn2nc(CNC(=O)C(C)(C)N3CCOCC3)cc2C1 91475353 ATEGSFFBSICCGM-UHFFFAOYSA-N 392.504 0.497 0 50 GCAA CCc1nc(CN2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 97360140 ICYRQUKOQZWJMZ-CABCVRRESA-N 377.470 0.510 0 50 GCAA Cn1c(=O)c(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)cc2ccccc21 216189298 WGABKNILUGPILR-CYBMUJFWSA-N 377.466 0.940 0 50 GCAA Cc1cc(F)c(CC(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)cc1F 295720974 UFBNEKMFVCGSGT-UHFFFAOYSA-N 385.396 0.467 0 50 GCAA Cc1c(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cnn1-c1ccccn1 426562791 BCTIQMLILPYNFA-UHFFFAOYSA-N 381.440 0.598 0 50 GCAA CN1CCN(CC(=O)N2Cc3cnn(-c4ccncc4)c3CC(C)(C)C2)CC1=O 952892197 LEAPMDVGGQOEEU-UHFFFAOYSA-N 396.495 0.952 0 50 GCAA COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1Cl 1506396392 FGSJXVLYXQWQIU-KBPBESRZSA-N 376.862 0.415 0 50 GCAA Cc1nc(C(=O)NC[C@@H]2CCC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)cs1 1857680609 PZDWCGZWALIIKD-NEPJUHHUSA-N 393.469 0.408 0 50 GCAA CCn1ncc(S(=O)(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NC3CC3)C2)c1C 1857692298 XZCRHQMWKHXFCW-MAUKXSAKSA-N 395.529 0.765 0 50 GCAA O=C(CCC(F)(F)F)N[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@@H]1O 1875248001 TUXJCNKTYWUMOE-AVGNSLFASA-N 376.379 0.988 0 50 GCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)OC)[C@H]2c2nncn2C)C1 1875387191 SVLWESBBAHUHFN-FMKPAKJESA-N 389.456 0.692 0 50 GCAA Cc1cc(CC(=O)N[C@@H]2CC[C@H](C(=O)N3CCOCC3)C[C@H]2O)cc(C)n1 2100541236 XOMDGHKDSLWOCZ-RCCFBDPRSA-N 375.469 0.746 0 50 GCAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCC[C@@H](O)C4)ccc3C2=O)C(=O)N1 2325897384 VSHBUANPQOEKNR-HIFRSBDPSA-N 386.408 0.436 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)CCc1cc(O)no1 2356139605 UKFKBMSCKCXTEG-NWANDNLSSA-N 381.429 0.472 0 50 GCAA Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O 1683644 GFPQSWFFPRQEHH-UHFFFAOYSA-N 383.381 0.162 0 50 GCAA Cc1cc2ccccc2n1CCNC(=O)Cn1nnnc1CN1CCOCC1 20781350 WIGCPGLWDBHRJJ-UHFFFAOYSA-N 383.456 0.585 0 50 GCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]3C1=O 77521600 PHWWQOXCOARZOY-AHXJXLJNSA-N 382.482 0.072 0 50 GCAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2cnc(Cn3cncn3)nc2O)C1 91907119 OCWDFZIAKJQKKN-IBGZPJMESA-N 380.408 0.864 0 50 GCAA Cc1ccc2ncccc2c1CN1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95356156 OHHXJTWLSDNCSK-MOPGFXCFSA-N 375.494 0.819 0 50 GCAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NC[C@@]2(O)CCNC2)c1 95360257 SJEDYCPWJIVEKB-GOSISDBHSA-N 375.450 0.942 0 50 GCAA CN1CC[C@@]2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C 95367095 LOUXHBNOJYINLV-IBGZPJMESA-N 392.479 0.585 0 50 GCAA Cc1noc(-c2ccc(N3CC[C@@]4(O)CCN(S(C)(=O)=O)C[C@H]4C3)nc2)n1 95368157 YIKAFLZRNANQLO-RHSMWYFYSA-N 393.469 0.663 0 50 GCAA COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 100171005 OREDNIMQUOTMOS-JQWIXIFHSA-N 394.181 0.698 0 50 GCAA CCc1nsc(N2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)n1 237138389 CSWRJKSNGAQUBF-UHFFFAOYSA-N 390.517 0.887 0 50 GCAA COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H]1CCc2[nH]nnc2C1 285270553 YONMBTBEUKQVER-CYBMUJFWSA-N 398.467 0.945 0 50 GCAA COCC(=O)NCc1cc2n(n1)CCN(c1cc(OC(C)C)nc(N)n1)C2 299774624 FPZTUYHLSDZWAN-UHFFFAOYSA-N 375.433 0.325 0 50 GCAA CS(=O)(=O)N(CC(=O)N1CCN(c2nc[nH]n2)CC1)c1cccc(F)c1 299793507 GKPQIOYTSKROGC-UHFFFAOYSA-N 382.421 0.059 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)NC1CCN(c2cnccn2)CC1 299798991 UUJDNIGJSNDKGK-UHFFFAOYSA-N 382.472 0.174 0 50 GCAA NC(=O)N1CCC[C@@H](C(=O)N2CCOC3(CCN(Cc4cnc[nH]4)CC3)C2)C1 827969670 NQBRDEROGKELHR-OAHLLOKOSA-N 390.488 0.394 0 50 GCAA CN1CCN(C(=O)[C@@H]2CN(CC3CCOCC3)C[C@H]2C(F)(F)F)CC1=O 888103065 DHAORAYADHYVER-ZIAGYGMSSA-N 377.407 0.824 0 50 GCAA CN(C)C[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 952990197 VCRYFQFLMCOUPZ-INIZCTEOSA-N 390.527 0.415 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)cc1F 1704343517 DIQZCTJZWVGZAC-JOYOIKCWSA-N 384.426 0.150 0 50 GCAA CC(C)N1CCCN(C(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)CC1 1857528031 XDSHKHGPULTDNG-MRXNPFEDSA-N 383.518 0.222 0 50 GCAA C/C=C(\C)CN1C[C@@H]2COC[C@]2(C(=O)N2CCN(CCn3cncn3)CC2)C1 1857684319 IOTFTLSEYYYHHU-DROJYLQCSA-N 388.516 0.337 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857698818 JSFJXWCAVJBKKX-GOSISDBHSA-N 394.497 0.805 0 50 GCAA CCc1ncc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)cn1 1857701184 FSHZCLLJYGVTEQ-KBPBESRZSA-N 388.449 0.993 0 50 GCAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1CN(C2CCOCC2)CC[C@@H]1O 1857707793 KPFDEXQOMULTIC-MOPGFXCFSA-N 389.496 0.611 0 50 GCAA Cn1c(=O)c2[nH]c(-c3cc4c(s3)C3(CCNCC3)OCC4)nc2n(C)c1=O 1857718617 NDRFCMQFXFASCM-UHFFFAOYSA-N 387.465 0.840 0 50 GCAA CC(=O)N(CCc1ccccc1)CC(=O)N1CCc2c(cnn2C)[C@H]1C(N)=O 1875288831 GAELPKQPENTONB-IBGZPJMESA-N 383.452 0.422 0 50 GCAA CO[C@H]1C[C@@H](CNC(=O)CNc2ccccc2C(N)=O)N(c2ccncn2)C1 1875393620 QSYCTFMDHMEBSE-KBPBESRZSA-N 384.440 0.398 0 50 GCAA O=C(NC[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)c1cnc2[nH]cnc2c1 2325786954 KMFRKSFUKWIXEX-LBPRGKRZSA-N 383.416 0.003 0 50 GCAA COc1nscc1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2NC(=O)C[C@H]2C)CC1 2325823858 GIKABDOUUVBOMS-BIAAXOCRSA-N 380.470 0.834 0 50 GCAA CCOC(=O)Cn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 5898208 AVHPCODJYBORDE-UHFFFAOYSA-N 377.445 0.229 0 50 GCAA CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3cccc(F)c3F)nn2)CN1 67784433 QKUUZWDPGOJZJJ-GWCFXTLKSA-N 392.410 0.870 0 50 GCAA CN(C)S(=O)(=O)CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67955524 BQKRAEGXWPRGDO-GOSISDBHSA-N 389.562 0.791 0 50 GCAA CCN1CCN(C(=O)c2cc(-c3cccn3C)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 77287271 COOFWANTUWQPET-CVEARBPZSA-N 377.470 0.359 0 50 GCAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)C3)[C@H]4C2=O)c1 77406535 ZNJDCRBCONETRC-ZBPHCFQXSA-N 395.459 0.544 0 50 GCAA 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1772709726 MJRTZHSNRVGVLU-NQIIRXRSSA-N 387.480 0.720 0 50 GCAA COC(=O)CCCC(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857673345 QJCVFUDQKOBESP-STQMWFEESA-N 382.438 0.670 0 50 GCAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857678353 WGKGBZPQPQSGNK-YIKOMLBNSA-N 377.846 0.853 0 50 GCAA CC(C)Cc1nc(CN2C[C@@H]3COC[C@]3(C(=O)NCCn3ccnn3)C2)no1 1857689083 DCMANIGQQBEZQP-RDTXWAMCSA-N 389.460 0.124 0 50 GCAA CC1(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)COC1 1857727382 QCMDIWXCXASEGH-UHFFFAOYSA-N 388.468 0.862 0 50 GCAA CCN(C)C(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC)C1 1875250595 OZCLNWLYBGHVMV-NUEKZKHPSA-N 397.497 0.726 0 50 GCAA O=C1NC(=O)[C@@]2(CCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328605 AXBNPAGHXYPSFX-KSSFIOAISA-N 391.449 0.873 0 50 GCAA CC(=O)N1CCn2ncc(-c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)c21 1875355938 HFXWXJWEDZIAEN-MRXNPFEDSA-N 393.403 0.678 0 50 GCAA COC/C(C)=C/C(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cnc(O)o2)CC1 2325878227 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CN(C)c1ccc(C(=O)N2CC3CC2(CNC(=O)c2cccc(=O)n2C)C3)nc1 1775996922 NHLGNKJXSXKEEE-UHFFFAOYSA-N 395.463 0.881 0 50 GCAA Cc1noc(C)c1CCCNC(=O)[C@@]12CCCN(C(=O)CO)[C@H]1CN(C)CC2 1857694917 LPTGNDKUOZVYQD-FXAWDEMLSA-N 392.500 0.645 0 50 GCAA COc1ccccc1-n1nc(CC(N)=O)nc1-c1cc2n(n1)CCN(C)C2=O 1857722993 SNDRDZNKYSPWER-UHFFFAOYSA-N 381.396 0.253 0 50 GCAA N=c1[nH]c(CCNC(=O)[C@H]2CC[C@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)cs1 1875245685 LULNZGSEJDOSDH-BPNCWPANSA-N 377.470 0.502 0 50 GCAA Cn1cc(CCNC(=O)[C@H]2CC[C@@H](NC(=O)c3ccc(O)nc3)[C@H](O)C2)cn1 2100540248 FUZOBZQULYCLNF-NUEKZKHPSA-N 387.440 0.139 0 50 GCAA O=S(=O)(N[C@H]1CNCCC12CCOCC2)c1ccc2nc(O)nc(O)c2c1 2325798434 DDWYJOMMMUEFMW-AWEZNQCLSA-N 394.453 0.478 0 50 GCAA COc1cccc(CNC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1F 2325818263 XMWLDBRJNFRFTJ-UHFFFAOYSA-N 379.388 0.894 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)c(OC)c1 12202800 WBIXEOZSDQSMRI-MRXNPFEDSA-N 377.441 0.253 0 50 GCAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 13680518 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Cc1ccccc1OC[C@@H](O)C(=O)N1CCC2(CC1)C(=O)NCCCN2C 214980922 COQWDXXTJOFLPN-MRXNPFEDSA-N 375.469 0.548 0 50 GCAA C[C@@H]1CCCC[C@@H]1OCCN1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 262943431 NPZJHXNYPZMVMW-OAGGEKHMSA-N 392.518 0.629 0 50 GCAA O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@H]1C[C@H](O)CN1 277484297 JCMDUZBHZCLYIQ-ARFHVFGLSA-N 387.402 0.918 0 50 GCAA CC(C)n1cc([C@]2(O)CCN(CC(=O)Nc3ccc4nc(O)[nH]c4c3)C2)nn1 794087088 VSEAZBSLHGZALT-SFHVURJKSA-N 385.428 0.973 0 50 GCAA C[C@@H](Cc1cccs1)C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCNC1 886031764 SWVHYPBVVIFBHY-DZGCQCFKSA-N 390.509 0.715 0 50 GCAA O=C1CO[C@H](C(=O)NCc2nc(-c3ccccn3)no2)[C@@H](c2cccnc2)N1 1529168662 KEXCESOWLHQYMY-CVEARBPZSA-N 380.364 0.399 0 50 GCAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)c1C 1565529979 XJKAGWQUNAGOEQ-ROUUACIJSA-N 385.468 0.849 0 50 GCAA Cc1cc(F)cc(C(=O)N[C@@H]2CN(C(=O)CCCn3cncn3)CC[C@H]2O)c1 1857666744 YMYGPDULDAFTQP-IAGOWNOFSA-N 389.431 0.898 0 50 GCAA NC(=O)c1cn2c(n1)CCN(C(=O)CCS(=O)(=O)c1ccccc1)CC2 1875248504 UNABSIXMPFRUGU-UHFFFAOYSA-N 376.438 0.231 0 50 GCAA O=C1CC[C@H](C(=O)N2CCC[C@@H](C3CN(C(=O)c4n[nH]cc4Cl)C3)C2)N1 1875330834 DQBCNDPLHFWCMI-ZWNOBZJWSA-N 379.848 0.652 0 50 GCAA Cn1nccc1CN=c1[nH][nH]c(=NC2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 1875339996 HJBDJPNYLKWPQM-UHFFFAOYSA-N 376.465 0.806 0 50 GCAA CC(C)[C@@H](CNC(=O)CCCn1cncn1)NC(=O)[C@]1(C)CCCCNC1=O 1875345656 FFWLGSCCQNTIAL-DNVCBOLYSA-N 392.504 0.622 0 50 GCAA Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)NC[C@@]34CNC[C@@H]3C4)cc12 1875393886 OSQQHGOIWOMPJD-SCLBCKFNSA-N 391.497 0.979 0 50 GCAA Cc1noc(C)c1CN1C[C@H]2[C@H](C1)[C@H](O)[C@@H](O)[C@H](C)[C@@H]2C(=O)N1CCOCC1 2356160237 JODWCHABJPMYDK-NEQVLAFHSA-N 393.484 0.186 0 50 GCAA O[C@@H](COc1ccccc1CNCCN1CCOCC1)CN1CCSCC1 19731949 WXKRSDCISMQRSQ-LJQANCHMSA-N 395.569 0.897 0 50 GCAA CNc1ccnc(N2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 71762172 KMVSHGBJAJZFEB-HNNXBMFYSA-N 376.505 0.962 0 50 GCAA COc1ccccc1CC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N2CCOCC2)C1 72159270 VQQISVRFAWQQGC-CVEARBPZSA-N 390.436 0.646 0 50 GCAA CN1CCN(c2nnnn2-c2ccccc2)C[C@@]12CCC(=O)N(CCO)CC2 91644138 VKXGMWKIMVYHPT-IBGZPJMESA-N 385.472 0.158 0 50 GCAA CCNC(=O)CN1CCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1 95372902 JBUNJVCSTYEILZ-UHFFFAOYSA-N 381.786 0.986 0 50 GCAA O=C(O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 100037157 TYZAROBTKWYEHS-HNNXBMFYSA-N 381.392 0.629 0 50 GCAA COCCC(=O)N1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)CC1 170609932 YWNIKJUTMVLTJA-UHFFFAOYSA-N 386.456 0.828 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)ccc1O 216544816 WZUXKZOWMNBKJR-KGLIPLIRSA-N 381.454 0.306 0 50 GCAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCC(N4CCOCC4)CC3)n2C)C1 244605597 FBNGBGNHAPPNJA-WKILWMFISA-N 376.505 0.494 0 50 GCAA Cc1cnc2c(S(=O)(=O)NCCN3C[C@@H](C(=O)O)CC3=O)cccc2c1 274920237 AZPOIVVKZDGZLX-ZDUSSCGKSA-N 377.422 0.755 0 50 GCAA Cc1cccc(=O)n1CCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)C)C(=O)[C@@H]13)O2 426667007 OETGUUQOBKCQHI-JWVYWZTKSA-N 385.464 0.853 0 50 GCAA Cn1c(=O)c2ccc(C(=O)N(CCc3ccccc3)CC(=O)O)nc2n(C)c1=O 738400275 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CCN1CC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C)C3=O)C(F)(F)C1 2325781433 OSHNBJFSCUXEIG-CYBMUJFWSA-N 387.408 0.920 0 50 GCAA COC(=O)[C@@H]1COCCN(C(=O)c2ccc3nnc(-c4cccn4C)n3c2)C1 2356138218 ILKOFSIXBBNAKX-AWEZNQCLSA-N 383.408 0.996 0 50 GCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCO[C@@H](c2nnnn2C)C1 2356146780 VGYFUSPUKRJHCL-CQSZACIVSA-N 389.441 0.466 0 50 GCAA CN1CCN(c2ncccc2CNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 67833589 MFCXUUGVTAZJCW-UHFFFAOYSA-N 389.481 0.411 0 50 GCAA CCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)c1=O 77488724 CRXITYZNFRCFDZ-HNNXBMFYSA-N 385.468 0.835 0 50 GCAA CN(C)CCN1C[C@@H](C(=O)N(C)Cc2nc(-c3ccncc3)no2)CCC1=O 91893590 PPBCRVHCNWJUPT-HNNXBMFYSA-N 386.456 0.890 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(C(=O)Cc3ccsc3)C[C@@H]2C1 95379231 APVKBZTVVSQGHU-GDBMZVCRSA-N 387.527 0.382 0 50 GCAA COc1cc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc(-n2nnnc2C)c1 95527489 RNDKIECGFDSPKR-LLVKDONJSA-N 380.430 0.536 0 50 GCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCn2nc(Cc3ccccc3)cc2C1 96153757 FHHVDWZDBOGTBL-UHFFFAOYSA-N 379.420 0.756 0 50 GCAA CN(CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)c1ncnc2nc[nH]c12 150859372 GGDSIAOMBYCTEB-UHFFFAOYSA-N 397.414 0.799 0 50 GCAA CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)[C@@H](C)C(=O)N(C)C 170617525 HDVXWRKNXZCOOT-VIFPVBQESA-N 381.451 0.342 0 50 GCAA COc1ccnc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1OC 248027620 SKXYHKREAYRVGZ-KGLIPLIRSA-N 376.457 0.610 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cs1 299788401 RKUBGZQHTDOSHT-RYUDHWBXSA-N 383.455 0.234 0 50 GCAA NC(=O)CCn1cc(-c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cn1 534576235 WWRAYJZQHQJHCC-OAHLLOKOSA-N 376.438 0.342 0 50 GCAA Cn1cnnc1CCNC(=O)c1cccc(-c2cc(=NC3CC3)nc(N)[nH]2)c1 534670786 DPZJKRPNXZWLKO-UHFFFAOYSA-N 378.440 0.823 0 50 GCAA COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@@H]1CC(=O)N(C)C1)N2C(=O)OC(C)(C)C 863863564 MJJKBLDUIKAMSW-FUQNVFFISA-N 395.456 0.520 0 50 GCAA C[C@H]1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)[C@H](C)CN1CCO 888097204 DQTYLVUGXXGVCZ-LSDHHAIUSA-N 390.488 0.259 0 50 GCAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O 952870143 SMZDRFZHBYMGGC-HUUCEWRRSA-N 399.494 0.268 0 50 GCAA COCCN1C[C@H]2CN(C(=O)Cc3ccc(N(C)C)cc3)C[C@@]2(C(=O)O)C1 1565509849 GATORQAGKZYXBW-JXFKEZNVSA-N 375.469 0.787 0 50 GCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772806486 YSKCMVQPXSSFTQ-QGZVFWFLSA-N 376.438 0.460 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)NC1 1772812484 MAQBAFTXBCGHHE-UHFFFAOYSA-N 383.456 0.383 0 50 GCAA O=C(NCCO)c1cc2c(s1)CCOC21CCN(C(=O)c2cc[nH]n2)CC1 1857691694 WUXIRSGHVNKLFZ-UHFFFAOYSA-N 390.465 0.898 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cncc(=O)[nH]2)cn1 1857735841 URFXNGWZRUGPFR-WMZOPIPTSA-N 386.456 0.572 0 50 GCAA CCN1C[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1=O 1875334793 FHHLACSUVSVSHV-VBKZILBWSA-N 398.467 0.856 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)NCCN2CCCC2)CC[C@H]1NC(=O)c1cnc(O)[nH]1 2100482203 GCSVWRZHLGYWLE-GZBFAFLISA-N 379.461 0.241 0 50 GCAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc(-n2cnnn2)n[nH]1 2356134360 KFLWEYLIGZFNAC-DYVFJYSZSA-N 390.407 0.921 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccncn1 15069711 HMAFAUZEQAWPQJ-KRWDZBQOSA-N 383.452 0.882 0 50 GCAA CN1CCN(c2ncccc2CNC(=O)c2ccccc2-c2nnn[nH]2)CC1 67755704 WFUVGVOTVOKCQZ-UHFFFAOYSA-N 378.440 0.944 0 50 GCAA CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67884228 BJRFMQHJBXQQNS-JTQLQIEISA-N 387.483 0.381 0 50 GCAA C[C@H](O)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1C 77440780 IIPIKCGFVNUOGH-ZDUSSCGKSA-N 394.497 0.787 0 50 GCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c1 91416867 VKGVWABCLPSOPA-LBPRGKRZSA-N 382.417 0.601 0 50 GCAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)C2CCS(=O)(=O)CC2)C1 95505872 UPYNPBUDESIKBO-MRXNPFEDSA-N 382.530 0.976 0 50 GCAA CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1Cl 112648062 IUBHHLQXQBEHMQ-NSHDSACASA-N 383.861 0.927 0 50 GCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1nc(O)c2ccccc2n1 253613248 NYRWWSMFMLVSLB-KGLIPLIRSA-N 383.452 0.960 0 50 GCAA COc1cc(N2C[C@@H](C(=O)NC[C@H](C)C(=O)O)CC2=O)cc(OC)c1OC 263313068 YBBPUBVBMYSKOS-QWRGUYRKSA-N 380.397 0.902 0 50 GCAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cn2cccc(C)c2=O)cn1 328629338 ORTGMAXFCWSXJC-HNNXBMFYSA-N 378.454 0.371 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)C1=O 378608029 QHDCYJRMILGYPX-ZDUSSCGKSA-N 399.407 0.967 0 50 GCAA Cc1ccccc1OC[C@H](O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 952990090 UOORDCHDAQRSKB-INIZCTEOSA-N 378.450 0.741 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)nc(-c2ccccc2O)n1 1506420805 KOAKWRIPNWJYMG-ZBFHGGJFSA-N 383.452 0.529 0 50 GCAA COc1ccc(Cl)cc1C(=O)N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616076938 CDXKMIFXCPEBOK-MFKMUULPSA-N 376.862 0.673 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1c[nH]c2ccc(F)cc2c1=O 1704300319 RVIRJIVSESKVEH-ZUZCIYMTSA-N 397.428 0.303 0 50 GCAA Cc1cccc(CCN2C[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(CO)C2)n1 1772701204 MKKRFBWYSFDKJZ-WIYYLYMNSA-N 388.512 0.017 0 50 GCAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCO[C@@]2(CCNC2)C1 1772812171 CZNPYUZFGBHVEY-AUUYWEPGSA-N 392.525 0.676 0 50 GCAA Cn1nccc1CCC(=O)N1CCCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 1772814985 BNTJZABDZFAPIT-KRWDZBQOSA-N 399.499 0.453 0 50 GCAA O=C1CCO[C@H]2CN(C(=O)C3(CO)CCOCC3)C[C@@H]2N1Cc1ccccc1 1857711082 GOPXULSLXDYPPB-ROUUACIJSA-N 388.464 0.804 0 50 GCAA Cc1noc(C2CN(c3ncnc4c3ncn4C[C@H](CO)[C@@H]3CCOC3)C2)n1 1875269336 XLIMEGJXOJKSEU-TZMCWYRMSA-N 385.428 0.767 0 50 GCAA CN(C)C1CCN(CCNC(=O)NC[C@]2(O)CCOc3ccccc32)CC1 1875278374 UMPSTOKSQDWCLL-HXUWFJFHSA-N 376.501 0.982 0 50 GCAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cn(CCN2CCOCC2)nn1 23129163 KWXJXSWSANEZBU-SFHVURJKSA-N 395.467 0.978 0 50 GCAA CC(C)Cc1cc(C(=O)NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)no1 23379979 GPZJOWKPIDFASA-OAHLLOKOSA-N 389.456 0.992 0 50 GCAA CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1CCC(=O)O 91645355 KNIXPIBBCHHEGK-RISCZKNCSA-N 397.453 0.927 0 50 GCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCS(C)(=O)=O)CC2 91708033 QQQPYVHEGXJDSF-UHFFFAOYSA-N 382.486 0.457 0 50 GCAA CS(=O)(=O)NCCc1nc(CC(N)=O)nn1-c1ccc(F)c(Cl)c1 96161920 NGMDFPAUYSTDJV-UHFFFAOYSA-N 375.813 0.179 0 50 GCAA Cc1c[nH]c(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c(C)c1=O 219232517 VJVPBOLMQAEPPP-MRXNPFEDSA-N 380.470 0.282 0 50 GCAA O=C(O)[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)CCN1 244673892 HXONDWKHWKLYOY-YDHLFZDLSA-N 388.424 0.304 0 50 GCAA COCC[C@H](NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C)C(=O)OC 253429126 CAQNNLQILOMSOV-LSDHHAIUSA-N 379.392 0.599 0 50 GCAA O=C([C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262646296 SOBGSKGFWIQLCH-LBPRGKRZSA-N 397.482 0.234 0 50 GCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 268889710 IAHQYZOXLFCKNA-QGZVFWFLSA-N 387.484 0.364 0 50 GCAA O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN2C(=O)N=C(O)[C@H]2C1 329417037 FYBFXFWXEIAUOW-NOZJJQNGSA-N 378.335 0.921 0 50 GCAA CNc1ncccc1C(=O)N1CCC(CNC(=O)CN2CCOCC2)CC1 824095216 ZKLIKVFLEOJYPO-UHFFFAOYSA-N 375.473 0.424 0 50 GCAA CN1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC12CCOCC2 1775979366 ULAOGTDZJZPPPQ-UHFFFAOYSA-N 399.488 0.915 0 50 GCAA COc1ccccc1CCNC(=O)CN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857694375 NOUPJLGVPOTXIU-YLJYHZDGSA-N 375.469 0.317 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857697670 HOUCGJRKIAZJQS-QGZVFWFLSA-N 397.501 0.105 0 50 GCAA Cc1noc(C)c1CCC(=O)N[C@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857738191 WHWDTNOSDYJSGD-JYJNAYRXSA-N 378.473 0.660 0 50 GCAA O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCNC(=O)[C@@H]1CCO 1875278514 GMUKJXDDEFLPCU-OCABNYQQSA-N 377.485 0.419 0 50 GCAA CN1CCN(c2cccc(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)n2)CC1 1875401002 PVGNNMFCLVRNMI-CGTJXYLNSA-N 384.484 0.599 0 50 GCAA COC(=O)CCc1ccc(S(=O)(=O)N2CCO[C@H](c3nnnn3C)C2)cc1 2356148431 VYERJAMUGBVIGO-AWEZNQCLSA-N 395.441 0.078 0 50 GCAA COc1cc(-c2o[nH]c(=NCCN(C)S(C)(=O)=O)c2C(=O)O)ccc1F 2356155573 IPNYTZYKBODNLE-UHFFFAOYSA-N 387.389 0.913 0 50 GCAA COc1cc([C@H](C)NC(=O)N2CCN(CC(N)=O)CC2)cc(OC)c1OC 45316252 DREYFHXYXVTJIM-LBPRGKRZSA-N 380.445 0.586 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3ccc(Cl)cc3)nn2)CN1 67841823 AAPLTTXKKISWQB-OCCSQVGLSA-N 398.876 0.059 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)CCN)CC2 77504922 JMBPMCSZJUUKLK-MRXNPFEDSA-N 381.498 0.720 0 50 GCAA NC(=O)NCC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77519317 KQIPDESIHQPJMH-UHFFFAOYSA-N 389.437 0.435 0 50 GCAA O=C(CN1CCC[C@@H](O)C1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91326157 NRLSQHIRHJJAAU-GOSISDBHSA-N 389.500 0.488 0 50 GCAA CC(C)N(C)CC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 96132565 JDTCMNJQBLISDO-UHFFFAOYSA-N 391.564 0.609 0 50 GCAA Cc1nnc(CN2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)o1 96137372 WIMUEAAZARHPFS-UHFFFAOYSA-N 375.477 0.843 0 50 GCAA Nc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)c(-c2ccccc2)n1 97402573 JUXIEVSXRQWOSF-UHFFFAOYSA-N 375.454 0.881 0 50 GCAA O=C(c1c[nH]c(=O)cn1)N1CCOC2(CCN(CCCn3cccn3)CC2)C1 828930845 WALSJJBRYOOSIB-UHFFFAOYSA-N 386.456 0.364 0 50 GCAA COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OC)c[nH]1)[C@@H](C(N)=O)C2 888090786 UYKIBSIZQDDPLB-CYBMUJFWSA-N 387.392 0.453 0 50 GCAA CC(C)N(CCOCCO)c1ncnc2c1ncn2CC1(CO)CCOCC1 888097163 CSIFQXGBKSWNIL-UHFFFAOYSA-N 393.488 0.839 0 50 GCAA COc1ccccc1-n1cc(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)cn1 952982593 ZHBKOPZBVWAUGK-AWEZNQCLSA-N 394.453 0.271 0 50 GCAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@@H]12 1704305431 QGZYPTGVBBPFMX-SJLPKXTDSA-N 395.481 0.599 0 50 GCAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCO[C@@]2(CCNC2)C1 1772812172 CZNPYUZFGBHVEY-IFXJQAMLSA-N 392.525 0.676 0 50 GCAA CC(C)=CC(=O)N1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C(=O)C1 1775989779 RSIPBGLTZILQJA-JKSUJKDBSA-N 390.484 0.283 0 50 GCAA Cn1cncc1CC(=O)N[C@]12CCC[C@@H]1N(c1ncnc3c1cnn3C)CC2 1775990299 FMWWVOMNGAROAU-KXBFYZLASA-N 380.456 0.957 0 50 GCAA COC1(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)CCNCC1 1857695756 WVOQWEFVBLYYPR-LJQANCHMSA-N 389.500 0.823 0 50 GCAA C[C@@]1(CNS(=O)(=O)c2cccnc2N2CC=C(CO)CC2)COCCO1 1875342704 DIGRZISIAWRWPB-QGZVFWFLSA-N 383.470 0.294 0 50 GCAA CCC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC[C@H]1C 1875357920 BRANTHIVVDVBFN-CSOUEMRRSA-N 380.489 0.156 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)NC4(C5CC5)CC4)cc3C2=O)C(=O)N1 2325897703 FDSVBEYAKDAVEV-CQSZACIVSA-N 381.388 0.760 0 50 GCAA O=C1CN(C(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)CCN1 64131616 VXOYWYWLPBIKSE-UHFFFAOYSA-N 387.415 0.708 0 50 GCAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](N)CO)CC1 67589044 ZKEXTZBSSOQYJD-HNNXBMFYSA-N 387.440 0.627 0 50 GCAA NS(=O)(=O)Cc1cccc(NC(=O)CCc2cc3n(n2)CCCNC3)c1 72433010 HAIJDVILLHMOBL-UHFFFAOYSA-N 377.470 0.736 0 50 GCAA C[C@H](C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2)N1CCCC1=O 82098579 CDSZKKZESXQPLX-CYBMUJFWSA-N 376.461 0.398 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3c(c1)OCO3)C2 95370034 DORYASPZPUUJEX-GXTWGEPZSA-N 381.454 0.758 0 50 GCAA Cn1c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc(=O)n(C)c1=O 95372047 MRQNCCXPMZGJHD-GOEBONIOSA-N 383.452 0.216 0 50 GCAA CN(C)c1ccc(C(=O)N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cc1 95382384 YFHBUQUJQGWYDD-CRAIPNDOSA-N 381.498 0.611 0 50 GCAA CCNC(=O)c1ccc(N2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)O)C2)nc1 96153318 YWMCYOQISGOGDG-GUYCJALGSA-N 396.469 0.004 0 50 GCAA Cc1c2c(cc(=O)n1N1CCOCC1)N/[N+](=c1/[nH]c3ccccc3s1)C2=O 137908152 HSJGRGNOWHUBSD-UHFFFAOYSA-O 384.441 0.621 0 50 GCAA Cc1ncsc1CCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 248012048 PPHPOABGPLXMIW-KGLIPLIRSA-N 378.498 0.922 0 50 GCAA CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2)CC1)C(=O)O 248026306 MGPGJNSYWZXRGF-AJNGGQMLSA-N 385.530 0.984 0 50 GCAA biogenic COC(=O)c1cn(-c2cccc(C(=O)N3CCN(C)CC3)c2)cc2c(=O)[nH]nc1-2 253414480 XPUYHBVSXSIVOM-UHFFFAOYSA-N 395.419 0.840 0 50 GCAA CNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 298791995 YRWQYUORAIAVOM-SFHVURJKSA-N 386.496 0.737 0 50 GCAA Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)C2)c1 333965137 PRPUYIUNRPLNGB-CWRNSKLLSA-N 384.436 0.970 0 50 GCAA Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)n1 426420768 PSHSGODHRXHGRL-SNVBAGLBSA-N 395.407 0.666 0 50 GCAA Cc1cccc2nc(CCN(C)C(=O)N[C@@H]3C[C@H]4C(=O)NCC(=O)N4C3)[nH]c12 584895444 DWWIEYRCGCGCHX-OCCSQVGLSA-N 384.440 0.155 0 50 GCAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCN2CCOCC2)cc1 1565525497 LHMHVVHXLWCVPA-IRXDYDNUSA-N 377.441 0.160 0 50 GCAA Cn1cccc(C(=O)N2CCCN(c3nccc(N4CC[C@H](O)C4)n3)CC2)c1=O 1772805446 KXRAHMLQUWPVHF-HNNXBMFYSA-N 398.467 0.099 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)CCc3nc4ccccc4[nH]3)C[C@H]2CO1 1857710253 NVEVXMHVXRRBHI-JYJNAYRXSA-N 399.495 0.932 0 50 GCAA Cc1nsnc1C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)CCO2 1857715935 OMHPKRCLPCDZDD-UHFFFAOYSA-N 381.502 0.632 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H](N)[C@H](O)C3)CC2)nc(-c2ccccc2O)n1 1857735434 DTXAUGCLGNDQPD-YXJHDRRASA-N 397.479 0.904 0 50 GCAA O=C(c1cnn[nH]1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940195602 QUVVIVPJHKXNJL-UHFFFAOYSA-N 385.428 0.257 0 50 GCAA Nc1cccc(C(=O)N[C@@H]2C[C@H](C(=O)NC3Cc4ccccc4C3)C[C@H]2O)n1 2100547357 HJGNNBFMDACVMU-BMGDILEWSA-N 380.448 0.817 0 50 GCAA C[C@H]1c2ccccc2O[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C(N)=O 2325873004 VBPJBJUBSLFEAI-KBXBGSNASA-N 398.463 0.906 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCOCC3)[C@H]4C2=O)c1 77287937 RFOBIMMTBWPOCG-NTLWEQJWSA-N 384.432 0.836 0 50 GCAA COc1cccc2c1OC[C@@H](C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C2 95387847 RAUKTWBHHNJADQ-AWEZNQCLSA-N 383.470 0.197 0 50 GCAA COc1ccc(-n2nc(CC(N)=O)nc2[C@@H]2CSC(C)(C)C(=O)N2)cc1 96149346 KDEVCTXHZZMBKC-LBPRGKRZSA-N 375.454 0.986 0 50 GCAA Cc1c(C(=O)NC[C@@H](O)COc2ccc(F)cc2)nnn1C1CCNCC1 237801819 SNVZOERHHOKNMR-OAHLLOKOSA-N 377.420 0.820 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2sccc2Cl)CCO1 263452676 SWKRGHSYAVXAGI-VIFPVBQESA-N 396.874 0.589 0 50 GCAA CCc1noc2ncc(S(=O)(=O)N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)cc12 328627732 MZUILNCBJKACMH-WFASDCNBSA-N 391.453 0.915 0 50 GCAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N[C@@H]1CCS(=O)(=O)C1 534657499 NUKNNDPVLLKNOV-CYBMUJFWSA-N 395.485 0.012 0 50 GCAA COc1cccc(-n2cc(CNS(=O)(=O)[C@H]3CCS(=O)(=O)C3)cn2)c1 670458668 SJUAYLHQNUXLKE-HNNXBMFYSA-N 385.467 0.487 0 50 GCAA O=C1NCCO[C@@H]2CCCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)[C@@H]12 867873989 CMUHNGPEEJNHMC-HZPDHXFCSA-N 376.438 0.540 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(Cl)c1 1704302992 UWPBJSVUOYQJNF-WCQYABFASA-N 376.862 0.611 0 50 GCAA CC(C)N(CC(=O)O)C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895726 HUWWCFNAAVMQPH-CQSZACIVSA-N 387.392 0.383 0 50 GCAA COCCN=c1[nH]c2cc(C(=O)N3C[C@H]4COC[C@@]4(COC)C3)ccc2n1C 2356153747 SVWIRRKZGWRZDY-YWZLYKJASA-N 388.468 0.789 0 50 GCAA O=C([C@@H]1CCCN(C2CCN(c3ncnc4[nH]cnc34)CC2)C1)N1CCOCC1 71712255 XUHOMZYUWSYXBB-OAHLLOKOSA-N 399.499 0.893 0 50 GCAA O=C(C1CC1)N1CCN(C(=O)c2ccc(Cl)cn2)[C@H]2CS(=O)(=O)C[C@H]21 72409995 HWOGRFZVHVFOEH-KGLIPLIRSA-N 383.857 0.595 0 50 GCAA Cc1ncn(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1C 91551730 XNXQEDJHNOTXKP-MOPGFXCFSA-N 377.533 0.737 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)C[C@@H]1CCO 95360614 SWNVZGXFFCZHSC-INIZCTEOSA-N 381.498 0.656 0 50 GCAA COc1ccc2nc(CCNC(=O)CN3CCN(c4ncccn4)CC3)[nH]c2c1 95382480 HQHIFQJOBAJUJI-UHFFFAOYSA-N 395.467 0.842 0 50 GCAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccnc(-n3cnnc3)c1)CCN2C 95497607 USTNNQVSKQCZSG-IBGZPJMESA-N 383.456 0.431 0 50 GCAA CC[C@@H](NC(C)=O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95522281 ARRJXTZYXMJXJD-CQSZACIVSA-N 391.472 0.173 0 50 GCAA Cn1c(=O)c(=O)[nH]c2cc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc21 218416270 AWIICYZPZWYGBH-INIZCTEOSA-N 395.415 0.972 0 50 GCAA Cc1cc2c(N3C[C@H]4CN(S(C)(=O)=O)C[C@@]4(C(=O)O)C3)ncnc2s1 248342368 XYSDDOVLFKKYCL-BONVTDFDSA-N 382.467 0.782 0 50 GCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1=O 275304603 NGBIOUBVFYMUAB-CQSZACIVSA-N 391.453 0.476 0 50 GCAA Cc1ccnc2nc(C(=O)N(C)C[C@@H]3C[C@H](F)CN3Cc3nccn3C)nn12 329943640 DPXLAUDKTGHZPF-KBPBESRZSA-N 386.435 0.851 0 50 GCAA CS(=O)(=O)N(CC(=O)NCCN1CCCC[C@@H]1CO)c1cccc(F)c1 670439046 SUHZXVHHXTWEHI-MRXNPFEDSA-N 387.477 0.555 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)Cn2nc3ccccc3n2)C1 1506409850 ABVBOCHVKFISQL-ZDUSSCGKSA-N 380.474 0.066 0 50 GCAA O=C(N[C@H]1CCN(CCn2c(=O)oc3ccccc32)C[C@@H]1O)c1ccncc1 1565507140 ATTYPDIBTMJNDL-RDJZCZTQSA-N 382.420 0.855 0 50 GCAA Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(S(C)(=O)=O)CCO2)on1 1857668300 XRKGZHTWSSYROU-HALDLXJZSA-N 383.470 0.710 0 50 GCAA CN(CCO)C[C@H](O)C1CCN(c2nc(N(C)C)nc3c2CCCC3)CC1 1857729921 IYCWVBVBHWMBMA-SFHVURJKSA-N 377.533 0.923 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)N(C)CC(=O)NC)C[C@H]1NC(=O)c1cnc[nH]1 1875244768 TZPZZKXWSKBTAM-GZBFAFLISA-N 379.461 0.308 0 50 GCAA CO[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1 1875259611 IXOWROONHICDPC-RYUDHWBXSA-N 390.845 0.602 0 50 GCAA O=C(CN1CC[C@@]2(CCN(C(=O)c3cnc4[nH]c(O)nc4c3)C2)C1)N1CCC1 1875362156 TVTAUWITRMHCGS-LJQANCHMSA-N 384.440 0.434 0 50 GCAA Cn1nnc([C@@H]2CN(C(=O)CCCc3nc(-c4ccncc4)no3)CCO2)n1 2100483722 JUELMQAYZIVQRD-ZDUSSCGKSA-N 384.400 0.578 0 50 GCAA O=C(C(=O)N1CC[C@@H]2OCCO[C@H]2C1)N1CCn2c(cnc2C(F)(F)F)C1 2325774456 FYSDZUOAFVEBJZ-RYUDHWBXSA-N 388.346 0.260 0 50 GCAA CCCN(C)CC(=O)N1CCN(C2CN(C(=O)[C@@H](C)n3cccc3)C2)CC1 2325793647 BPCAYGGQXWHQEE-QGZVFWFLSA-N 375.517 0.746 0 50 GCAA O=C(N[C@H]1CCC[C@H]1NC(=O)[C@H]1CCNC1=O)c1n[nH]c(C2CC2)c1Cl 2325861067 DVJCUWKWRZYVRM-AXFHLTTASA-N 379.848 0.844 0 50 GCAA COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCC[C@@H](C(F)(F)F)C1=O 2325869961 DEXWGHHVZAAORN-MNOVXSKESA-N 376.335 0.411 0 50 GCAA Cn1nnnc1SCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 11935007 RWPCGHOBCQMIIT-CYBMUJFWSA-N 392.460 0.996 0 50 GCAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCCO2)cc(OC)c1 13595011 IVTKQCZFZGZYMV-KRWDZBQOSA-N 377.441 0.948 0 50 GCAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 13680575 LJDRFXKALIWBOX-UHFFFAOYSA-N 398.504 0.993 0 50 GCAA CCOC(=O)CN(C)c1ncc([C@@H]2CC(=O)NCc3nc(N)sc32)cn1 65382573 IRCGIHUVLFFWHH-JTQLQIEISA-N 376.442 0.666 0 50 GCAA CS(=O)(=O)N1CCC(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CC1 65407824 DLPSSWGWQRGSJN-JKSUJKDBSA-N 382.482 0.990 0 50 GCAA COCCN1C[C@]2(CCCN(C(=O)CCN3CCN(C)CC3)C2)CCC1=O 91643781 WLJRDCQKMGSAEC-HXUWFJFHSA-N 380.533 0.502 0 50 GCAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CCN)cc1)C2 221308620 GYXPXRUTLSMCHW-GOSISDBHSA-N 378.498 0.478 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(C(=O)Cc3ccsc3)C[C@H]2C1 247913932 APVKBZTVVSQGHU-HOCLYGCPSA-N 387.527 0.382 0 50 GCAA Cc1nn(CC(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)c(=O)c2ccccc12 1616082413 VCPZEZMNXLLVNU-KSSFIOAISA-N 379.420 0.557 0 50 GCAA COc1ccc2c(c1)OCCn1cc(nn1)CCCC(=O)N1CCN(CC1)C2=O 1704324810 VAKSHXHTLFQEIV-UHFFFAOYSA-N 399.451 0.986 0 50 GCAA Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@]2(CO)C1 1772815633 XFAIOIJECYZYRF-KKSFZXQISA-N 392.463 0.930 0 50 GCAA O=C(Cn1ncnn1)N1CC[C@H]2[C@@H](C1)CN2C(=O)c1ccnc2ccccc12 1775983761 ARXFBHLOGABCGH-GUYCJALGSA-N 377.408 0.594 0 50 GCAA Cc1nc(C)c(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(C4CCOCC4)C[C@@H]23)s1 1857687513 VDBQJJOXIYCYRZ-ZNMIVQPWSA-N 399.538 0.766 0 50 GCAA Cc1nc(CNS(=O)(=O)CC[C@@H]2CCS(=O)(=O)C2)nc2c1CCCC2 1857705238 ZDNFPPCJNFBOCT-ZDUSSCGKSA-N 387.527 0.908 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)N3C[C@@H]4CC[C@H](C3)[C@H]4N)CC2=O)s1 1857714442 ALHNAQVRDQOMDQ-NWJSVONSSA-N 379.486 0.623 0 50 GCAA N=c1nc(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc(N2CCOCC2)[nH]1 1857724991 IFRTZYHXGAMISA-NNNWTRQLSA-N 397.479 0.299 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)C[C@@H]12 1857732115 CDQBMKMSQLZJFE-GDLCADMTSA-N 396.893 0.827 0 50 GCAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)NCCC1CC(F)(F)C1 1875396016 SOTOPPOQXTZOMP-CYBMUJFWSA-N 376.429 0.831 0 50 GCAA Cn1ccc(CC(=O)N[C@@H]2CC3(CN(C(=O)[C@]4(C)CCOC4)C3)n3ccnc32)n1 2332237997 UBIZWZULXYHFBA-DNVCBOLYSA-N 398.467 0.384 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 864250 SZTKMOLGUNGKDK-HZPDHXFCSA-N 393.465 0.714 0 50 GCAA O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)NC(N2CCOCC2)=N1 9484139 PVUWQKBAPUHSQL-GFCCVEGCSA-N 381.230 0.964 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOC(C)C)c1OC 12313800 RNKAFNPSWSYNSR-INIZCTEOSA-N 393.484 0.936 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N1CCc2c([nH]c3ccccc23)C1 20598808 BQOWICCYLGTDHO-UHFFFAOYSA-N 395.467 0.962 0 50 GCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnccn1)CC2 91694040 ROWZQUIPXYAKRK-UHFFFAOYSA-N 376.442 0.149 0 50 GCAA CC(C)[C@@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@H]1NS(C)(=O)=O 95503457 BEARHQGECSDTBQ-SMDDNHRTSA-N 378.454 0.569 0 50 GCAA Cc1nn(-c2nnn[nH]2)c(C)c1-c1cccc(C(=O)N2CCO[C@@H](CN)C2)c1 299770144 POKKGBUUBAATBF-HNNXBMFYSA-N 382.428 0.469 0 50 GCAA COc1ccc(Cl)cc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704315845 WTGZIBQHVXLKDV-GXFFZTMASA-N 376.862 0.985 0 50 GCAA COc1ccc(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1OC 1704342464 CZTMVMJSKWTZEL-UONOGXRCSA-N 386.470 0.269 0 50 GCAA CC(C)(C(N)=O)C(=O)NCCCN=c1[nH]c(Cl)ncc1Br 1857784176 KLUSMFGGWIMLQD-UHFFFAOYSA-N 378.658 0.744 0 50 GCAA CCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100534627 QGWDKLMBAQXIEW-MSOLQXFVSA-N 384.440 0.830 0 50 GCAA C[C@H](OCC1CC1)C(=O)N[C@H]1CC2(CN(C(=O)c3ccn(C)n3)C2)n2ccnc21 2332237684 HVCAFMWHXPCHDL-BBRMVZONSA-N 398.467 0.844 0 50 GCAA C[C@H]1[C@H](N)[C@@H](O)[C@H]2CN(C(=O)c3ccc(F)c(O)c3)C[C@@H]2[C@H]1C(=O)NC1CC1 2356146704 RBRAAUBECJICPH-WGGJNZKLSA-N 391.443 0.452 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)N(C)Cc1n[nH]c2c1CCCCC2 2356154795 KAGOPPUQWQLQKF-ZBKHRRJXSA-N 376.501 0.460 0 50 GCAA Cn1ncc(I)c1C(=O)N1CCN(c2ncccn2)CC1 2775000 HXWVZJNRRBWMSX-UHFFFAOYSA-N 398.208 0.777 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 6275579 GGXSCSXVAVVZCP-GFCCVEGCSA-N 383.408 0.858 0 50 GCAA CO[C@@H](CNC(=O)CCn1nnnc1CN1CCOCC1)c1cccs1 20782179 ITRIQIKUPPUIOX-ZDUSSCGKSA-N 380.474 0.461 0 50 GCAA CN(Cc1ccc2nonc2c1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1 55309154 MUZKQZGOSYZHNM-SFHVURJKSA-N 394.435 0.967 0 50 GCAA Cc1c(CN2CCN[C@@H](C(=O)N3CCCC3)C2)c(=O)n(-c2ccccc2)n1C 72121071 HKQBDEKKXQBOPF-LJQANCHMSA-N 383.496 0.881 0 50 GCAA Cn1ncc2c(N3CCC4(CC3)NC(N)=NC4=O)nc(-c3ccncc3)nc21 72143376 FCXJDAFHOHGNKC-UHFFFAOYSA-N 377.412 0.209 0 50 GCAA Cn1ccnc1CN(CCO)C(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 72171504 GZDIXNMDBHBXIT-KRWDZBQOSA-N 391.516 0.512 0 50 GCAA CCNC(=O)CN1CCN(c2nc(-c3ccncc3)nc3c2c(C)nn3C)CC1 72456874 QLSUASVRBAJMAP-UHFFFAOYSA-N 394.483 0.992 0 50 GCAA Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)CC1=O 92002384 NTQDFHHRDQDSCI-OAHLLOKOSA-N 389.456 0.656 0 50 GCAA CN(CCc1nc(Cn2cncn2)nn1Cc1ccccc1)S(C)(=O)=O 96130447 XDDMBKPABROMNP-UHFFFAOYSA-N 375.458 0.400 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccnn2C)CN1C1CCOCC1 96180388 NTLJPLLHQLJQRH-PBHICJAKSA-N 377.489 0.640 0 50 GCAA CN(CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)Cc1ccc(F)cc1 221395958 DIMOKYQBHSJYST-GOSISDBHSA-N 376.432 0.912 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C[C@H]2O)no1 299761903 ZUHPTIKWOLFTMC-NVXWUHKLSA-N 387.440 0.202 0 50 GCAA CN1CCN(C)[C@@H](CNC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)C1 332797486 ROAQPFUZJAYUIF-GJZGRUSLSA-N 377.493 0.191 0 50 GCAA Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c(=O)c1 332997539 AVROSBYCPPXSOB-GUXCAODWSA-N 375.469 0.815 0 50 GCAA Cc1nccc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)CC2)n1 366156741 PNSVSCVMZUUVGH-IIDMSEBBSA-N 388.472 0.443 0 50 GCAA COC(=O)CC1(NC(=O)C(=O)c2cc(F)ccc2C)CCS(=O)(=O)CC1 439377292 MGIKAQUWRWBDOD-UHFFFAOYSA-N 385.413 0.944 0 50 GCAA COCCN1C[C@H](C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)CCC1=O 952965208 SOGMCUHMDFHHNB-GFCCVEGCSA-N 379.379 0.495 0 50 GCAA COc1cc(F)c(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c(F)c1 1704353388 VIQSEEQBHGAMRW-ZANVPECISA-N 378.397 0.298 0 50 GCAA Cc1nc(C)c(C(=O)N[C@H]2CC[C@H](C(=O)NCCCn3ccnc3)C[C@@H]2O)o1 1875250946 FHUCQUHIFXAIOS-JYJNAYRXSA-N 389.456 0.954 0 50 GCAA CN1CCN(c2ccc(CNC(=O)N3CC=C(c4nnnn4C)CC3)cn2)CC1 1875300401 BRMDIEIKPNUDFW-UHFFFAOYSA-N 397.487 0.356 0 50 GCAA CCC(CC)c1cc(C(=O)N2CC3(C2)[C@H](C(=O)NC)CCS3(=O)=O)on1 1875395947 QSAWGHWKWAYVKE-LBPRGKRZSA-N 383.470 0.954 0 50 GCAA CC(C)N1C(=O)CO[C@H](C(=O)NCCN2CCN(C)C2=O)[C@H]1c1ccccc1 2356169014 SILBBQUXALSSPP-MSOLQXFVSA-N 388.468 0.847 0 50 GCAA O=C(CNS(=O)(=O)c1cccs1)N1CCc2nc(C3CC3)nn2CC1 2356170888 YGSWZACYZVYKMK-UHFFFAOYSA-N 381.483 0.580 0 50 GCAA CC(C)OC[C@@H](O)CN1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 20233039 CTJJTIFLCVWQMV-DLBZAZTESA-N 396.484 0.559 0 50 GCAA Cc1ncc(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 77319034 PXIPZSKEBSOXRN-NWDGAFQWSA-N 379.467 0.370 0 50 GCAA CN(C)Cc1nnc(C2CCN(C(=O)C3(N)CCNCC3)CC2)n1C1CC1 82139279 QFUAUERDQDNTBW-UHFFFAOYSA-N 375.521 0.462 0 50 GCAA Cc1cnccc1NCCNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 91997802 YIYSFBVHBIOLFE-HZPDHXFCSA-N 375.473 0.003 0 50 GCAA CCNC(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2nc(C(N)=O)no2)c1 170602098 XVAWJXODPLTWIY-ZDUSSCGKSA-N 386.412 0.694 0 50 GCAA O=C(Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1)NCc1ccon1 244816985 SSGBZSGXWNQKRE-QGZVFWFLSA-N 383.412 0.399 0 50 GCAA CNC(=O)[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CCO1 272723658 CKFQSZDQCATAKQ-KRWDZBQOSA-N 388.468 0.969 0 50 GCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCCN(c2ccnn2C)C1=O 328608719 BBMJMVMYHKRGJL-JTQLQIEISA-N 386.865 0.589 0 50 GCAA CC1=C(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)Cn2nnnc2N1C 376266999 UTDXSGBXENSAQO-YPMHNXCESA-N 386.416 0.694 0 50 GCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cnc(N3CCN(C)CC3)nc1C)CC2 426465282 QCXDNXMNYHKEQZ-RIFZZMRRSA-N 389.500 0.681 0 50 GCAA COc1ccc([C@@H]2CN(C(=O)CN(C)c3ncnc4[nH]cnc34)CCN2)cc1 870138047 AWHXOOHWOMNMNU-HNNXBMFYSA-N 381.440 0.971 0 50 GCAA COc1ccccc1[C@H](CNC(=O)N1CCN(c2nncn2C)CC1)N(C)C 888093947 NWDYUYGOXQFNFR-INIZCTEOSA-N 387.488 0.958 0 50 GCAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)n1 952869486 LWBAGBDEGREPOV-NSHDSACASA-N 377.401 0.023 0 50 GCAA CN(C)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cn1 952973598 FLNSOBXPBQLPKZ-HNNXBMFYSA-N 387.484 0.738 0 50 GCAA Cc1noc(-c2ccc(S(=O)(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)o2)c1C 1506424774 BZWJJZAZWIXJOD-KBPBESRZSA-N 397.453 0.617 0 50 GCAA Cc1cccc(CN2C[C@@H]3CN(C(=O)CCC4=NNC(=O)CC4)C[C@@]3(CO)C2)n1 1772814249 PRMSGJJMDJCDTQ-IIBYNOLFSA-N 399.495 0.689 0 50 GCAA O=C(Cc1cccnc1)N1CC[C@]2(C1)Cn1c(nnc1-c1cnccn1)CO2 1857691025 XVXBOLSNAPUAIR-IBGZPJMESA-N 377.408 0.874 0 50 GCAA Cn1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)cc1=O 1857717290 POPYRFIDVCGSKI-ICSRJNTNSA-N 398.463 0.695 0 50 GCAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc(-n5cnnn5)cc4)[C@@H]2CC(=O)N13 1857722271 FJFSZCYMEVOVMV-FCEWJHQRSA-N 382.424 0.860 0 50 GCAA Cc1cnn(CC(=O)N2CC[C@@H]([C@H]3CCCN(C(=O)Cc4n[nH]c(C)n4)C3)C2)c1 1875322509 VNKBSAVAIXSZBH-DLBZAZTESA-N 399.499 0.948 0 50 GCAA O=C1CC[C@H](N2Cc3cc(-n4cc(-c5cc[nH]n5)nn4)ccc3C2=O)C(=O)N1 1875355164 BQLXXPVKHOAXEY-HNNXBMFYSA-N 377.364 0.418 0 50 GCAA Cc1cccc(-n2nc(CC(N)=O)nc2[C@H]2OCC(=O)N[C@@H]2c2ccccc2)n1 2100483766 NHAGPDKBWABYJA-MOPGFXCFSA-N 392.419 0.927 0 50 GCAA O=C1CC2(CN1)CN(C(=O)N[C@H]1CCCN(c3ccc(F)cc3F)C1=O)C2 2325786486 PTJYNSUVGGOILI-ZDUSSCGKSA-N 378.379 0.992 0 50 GCAA Cc1cccnc1CCNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 2356147768 NZWYLTRFZBMIQQ-QXAKKESOSA-N 399.495 0.981 0 50 GCAA COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 14977849 LHVFZTJZQAXGGK-OAHLLOKOSA-N 379.457 0.547 0 50 GCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 20208251 SAKYYWBYZGPCND-LJQANCHMSA-N 387.528 0.962 0 50 GCAA COCCN1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)C1 77354190 WELKOAPZZKMATK-INIZCTEOSA-N 375.469 0.948 0 50 GCAA CC(C)[C@@H]1CN(Cc2ccc(O)c(C(=O)O)c2)C[C@H]1NS(=O)(=O)N(C)C 95382582 WDQSUHPLBNKJNS-LSDHHAIUSA-N 385.486 0.943 0 50 GCAA Cc1nnnn1CCC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 95386890 YKUQFGRLMFDQET-CQSZACIVSA-N 384.448 0.151 0 50 GCAA Cn1nc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccc1=O 95512578 DIBSKXSUNXXSRN-FQEVSTJZSA-N 398.467 0.591 0 50 GCAA CNC(=O)CN1CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 216183141 MUUJGFOTATZVKP-UHFFFAOYSA-N 376.501 0.261 0 50 GCAA O=C(O)c1csc(CCNC(=O)[C@H]2Cc3ccccc3S(=O)(=O)N2)n1 217180198 NBPBAXJLPBFRHX-SNVBAGLBSA-N 381.435 0.403 0 50 GCAA Cn1cc(N2CC[C@H](NC(=O)Nc3cc([C@@H]4CCCOC4)nn3C)C2=O)cn1 280296107 WRTJCLZUWDDFRK-OCCSQVGLSA-N 387.444 0.975 0 50 GCAA Cc1nnnn1-c1ccc(CC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299769203 LTFHPVWTGLXACI-IRXDYDNUSA-N 380.412 0.477 0 50 GCAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)COc2ccccc2F)CC1 328641258 QNFDVFFZGHUELO-UHFFFAOYSA-N 388.417 0.542 0 50 GCAA CCOC(=O)CN1CCCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 361004496 LOIFNGLRFNOAHK-UHFFFAOYSA-N 399.451 0.682 0 50 GCAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(S(N)(=O)=O)s1 1466866154 JSGDUTJDSKPIKE-ZDUSSCGKSA-N 381.479 0.412 0 50 GCAA CN1C[C@@H]2C[C@H](N(C)C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]2CC1=O 1529154085 XMNCYKDKRIGKSV-IXDOHACOSA-N 386.500 0.314 0 50 GCAA Cc1cccc2cc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c(O)nc12 1615964862 WHLXRRALROLBHY-CVEARBPZSA-N 379.482 0.933 0 50 GCAA CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)ccc21 1704333571 AVQWINOZXDKLCE-RDJZCZTQSA-N 393.509 0.937 0 50 GCAA COC1(C(=O)N2CCC(F)CC2)CCN(C(=O)c2nc3ncccn3n2)CC1 1857667856 WTFQHUQLLLTZBN-UHFFFAOYSA-N 390.419 0.706 0 50 GCAA Cc1nc(CN2CCOC3(CCN(CCn4cnnc4)CC3)CC2=O)no1 1857684050 XDBDAYYNNOKBKV-UHFFFAOYSA-N 375.433 0.253 0 50 GCAA CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2nc(C)c3c(n2)CCCC3)C1 1857685678 PBLNCXHTUKWXAY-JLTOFOAXSA-N 387.484 0.958 0 50 GCAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1=O 1875265413 GOWHCMPYENTTRT-DGCLKSJQSA-N 375.429 0.132 0 50 GCAA CCN=c1[nH]cnc2cc(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)ccc12 1875267725 IZBIRLVESFNHJX-HNNXBMFYSA-N 384.484 0.801 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCN(c3nccn3C)CC2)ncn1 2325785701 JMENKTYMYOJPGI-HZPDHXFCSA-N 386.504 0.038 0 50 GCAA CN1CC2(CCN(C(=O)C(=O)NCC(C)(C)c3cnccn3)CC2)OC1=O 2325819188 ZLHJEFMCNGRHMA-UHFFFAOYSA-N 375.429 0.314 0 50 GCAA NC1(CNC(=O)c2cc3c(=O)[nH]ccn3n2)CCN(Cc2ccccc2)CC1 2325856157 CTMAHXVJYRDYGS-UHFFFAOYSA-N 380.452 0.746 0 50 GCAA Cc1nccn1CCN(C)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 12439594 JHTCXAGVRWORHV-SFHVURJKSA-N 391.516 0.611 0 50 GCAA CN1[C@@H](C(=O)NCCCn2ccnc2)C[C@H](c2cccs2)NS1(=O)=O 67630537 NACKPBBFWJICND-CHWSQXEVSA-N 383.499 0.731 0 50 GCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCC(=O)NC3CC3)C2=O)c1 67821475 BQMPURAPLRFGLJ-LJQANCHMSA-N 379.432 0.556 0 50 GCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCC(=O)NC(C)C)C2=O)c1 67947141 BLDLJBNRKKLMLO-IBGZPJMESA-N 381.448 0.802 0 50 GCAA CN1CCN(Cc2ccc(Sc3nncn3C)o2)[C@H]2CS(=O)(=O)C[C@H]21 72454658 KMGRVDQKSOWCDY-OLZOCXBDSA-N 383.499 0.472 0 50 GCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C(N)=O)CC2)[C@H]3C1=O 77322880 TZWXOLZRWYUUNX-MNUAXYBXSA-N 376.457 0.037 0 50 GCAA O=C(NCCOc1ccccc1F)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 91616754 KBHYOPXENQZERA-HUUCEWRRSA-N 379.432 0.405 0 50 GCAA COc1cccc2c1OC[C@H](C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C2 95387846 RAUKTWBHHNJADQ-CQSZACIVSA-N 383.470 0.197 0 50 GCAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)[C@H](C)O)CC1 95524213 ARPZKPGDNUMYTR-ZDUSSCGKSA-N 380.441 0.822 0 50 GCAA Cn1c(=O)oc2cc(NC(=O)NCCCN3CCC[C@H](C(N)=O)C3)ccc21 105037283 ZTPUKYXEHYIDCZ-LBPRGKRZSA-N 375.429 0.840 0 50 GCAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 220170724 HEFDAWBFDWOYOE-OLZOCXBDSA-N 376.482 0.955 0 50 GCAA CN(CC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2)c1ccccc1 247952086 MOSKFKKNJJWRAB-WBVHZDCISA-N 380.514 0.852 0 50 GCAA O=C(NCCn1cnc2ccccc2c1=O)[C@@H](c1ccccc1)n1cnnn1 252488816 IZQLBCDEDZRPRQ-QGZVFWFLSA-N 375.392 0.789 0 50 GCAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)Cn3c(=O)oc4ccccc43)C2)n1C 252539653 OGMOAPQBHMJUEG-JOCQHMNTSA-N 384.440 0.847 0 50 GCAA CCCn1[nH]ccc1=NC(=O)CN1CCC(N(C)CC(=O)NC(C)C)CC1 254287965 PIGKGEOWMZWCIU-UHFFFAOYSA-N 378.521 0.574 0 50 GCAA CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@H]1CNCCO1 299740419 ZPAPSGBKEWDPHJ-OAHLLOKOSA-N 376.413 0.690 0 50 GCAA C[C@@H]1COCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 371098568 HPHCEHYJCSNFSR-HNNXBMFYSA-N 399.488 0.627 0 50 GCAA CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(O)nc2ccccc12 1565514888 STNFNYPZBZPTTH-YVFQKMDQSA-N 377.422 0.375 0 50 GCAA CC(=O)N(C)c1ccc(NC(=O)CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704313950 UQYMMFDTPJPZPM-HDICACEKSA-N 375.381 0.469 0 50 GCAA O=C(NN1C[C@H](C(=O)O)CC1=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 1848442361 IKTUSWVSXXWTDF-SNPRPXQTSA-N 399.403 0.944 0 50 GCAA O=C(O)[C@]12COCC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1857668908 MRBVUASPILALHB-YVEFUNNKSA-N 383.422 0.960 0 50 GCAA CCn1nccc1C(=O)N[C@@H]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1857679198 HKRPNEJXFXONOS-NWDGAFQWSA-N 390.444 0.001 0 50 GCAA O=C1CC2(CCN(S(=O)(=O)c3ccc(O)c(C(=O)O)c3)CC2)OCCN1 1857689755 KTZSOSKMIMUKSD-UHFFFAOYSA-N 384.410 0.150 0 50 GCAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 1857718435 UEURFLQYPMYEDW-NSHDSACASA-N 389.437 0.666 0 50 GCAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@H]2CO1 1857739645 YTZDVRZTHRAXRH-XIRDDKMYSA-N 386.452 0.970 0 50 GCAA COC(=O)[C@H]1C[C@H](OC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CN1C 1875344824 NIVMVWJBDHZVCR-WCQYABFASA-N 388.380 0.235 0 50 GCAA C[C@H]1OC2(CCN(C(=O)NC[C@]3(c4cnn(C)c4)CCCO3)CC2)NC1=O 1875392201 ZXHQNOZVZZMDDO-DYVFJYSZSA-N 377.445 0.462 0 50 GCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[C@H]1c1ccncc1Cl)C2 1875395389 CFPPNIZACPGDKM-YNEHKIRRSA-N 397.884 0.600 0 50 GCAA NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)CC1 17070404 NEUQORXZOKNEGL-UHFFFAOYSA-N 387.483 0.107 0 50 GCAA O=C1OCCN1CCNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67820662 GKURXTQAFNSIOH-GOSISDBHSA-N 383.395 0.860 0 50 GCAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccnc(N2C[C@H]3CC=CC[C@H]3C2)n1 77458625 SWEMZVPENBLUAW-XUWVNRHRSA-N 375.498 0.454 0 50 GCAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)no1 91643591 DNXQWAGNZFNQIP-UHFFFAOYSA-N 379.442 0.655 0 50 GCAA O=C(O)CCN1CCN(C(=O)c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 91860712 QEKHKHPHAVADDH-KGLIPLIRSA-N 386.857 0.738 0 50 GCAA CN1CC2(CCN(C(=O)Cn3ncc(N4CCCC4)cc3=O)CC2)OC1=O 95511252 XHAMMZFRXOQQQW-UHFFFAOYSA-N 375.429 0.287 0 50 GCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCCn1nnnc1CN1CCC(C)CC1 95518949 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GCAA COc1cc(NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)cc2ccccc12 2561057 URWMCSYEUHQZAZ-IRXDYDNUSA-N 397.435 0.557 0 50 GCAA O=C(NCCOc1cccnc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12448367 ZQTDQOUVDDGROB-INIZCTEOSA-N 388.468 0.828 0 50 GCAA COCCN[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1cc(C)ccc1OC 19821036 KYIWHODDQFKLHY-IUODEOHRSA-N 377.484 0.179 0 50 GCAA Cn1ncc(N2CC[C@H](CNC(=O)COc3ccc4c(c3)OCO4)C2)cc1=O 23337211 OZKACRWTAHTAFM-CYBMUJFWSA-N 386.408 0.531 0 50 GCAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@@H]1CC(=O)NCCCCO 67712634 IOFFMHKPBPVQHV-INIZCTEOSA-N 391.468 0.635 0 50 GCAA CC[C@@H](Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1)C(=O)NC 67741701 XFRLUTJOKTUHHG-QGZVFWFLSA-N 389.500 0.955 0 50 GCAA O=C(C[C@@H]1COCCN1C(=O)c1nnc2n1CCCCC2)N1CCSCC1 72432394 UIPNIAZADQSJFC-CQSZACIVSA-N 393.513 0.811 0 50 GCAA O=C(N1CCN(c2nnc(C(F)(F)F)s2)CC1)C12CNCC1CNC2 96149060 QNLMTBXYWYHSDF-UHFFFAOYSA-N 376.408 0.015 0 50 GCAA COC(=O)c1c[nH]c(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 170618499 PCONFGGUOXVPJQ-PWSUYJOCSA-N 393.421 0.999 0 50 GCAA Cn1cncc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299796787 OJQCTYFZNBSSQO-QGZVFWFLSA-N 389.500 0.499 0 50 GCAA CN1CC[C@@H](N2CCC(NC(=O)CNC(=O)CC3CCCCC3)CC2)C1=O 332795985 NSVFTEMNWNTURZ-QGZVFWFLSA-N 378.517 0.884 0 50 GCAA COc1ccc(-c2noc(CNC(=O)N3CC[C@H](O)[C@H](O)C3)n2)cc1OC 426420443 CURCVCNRLSTEPM-NWDGAFQWSA-N 378.385 0.391 0 50 GCAA COc1cc(C(=O)NCC2CCN(S(=O)(=O)N3CCCC3)CC2)ccn1 952966988 YCAQSVNGNPDIQJ-UHFFFAOYSA-N 382.486 0.873 0 50 GCAA CN(C[C@@H]1CCN(c2ccccc2)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 952988679 KGOIGLDKMAILLX-AWEZNQCLSA-N 392.481 0.231 0 50 GCAA Cc1ccsc1C(=O)N1C[C@H]2CN(C(=O)CN3CCOC3=O)C[C@]2(CO)C1 1772701107 JHLDPXMIIFMYJV-FZKQIMNGSA-N 393.465 0.402 0 50 GCAA COCc1noc(CN2C[C@H]3CN(C(=O)c4cnsc4)C[C@@]3(CO)C2)n1 1772712899 UVYLNZVJBNGOGN-BLLLJJGKSA-N 379.442 0.239 0 50 GCAA COc1cnc(C)cc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 1857678344 DTDVXVSCKLCSFU-UHFFFAOYSA-N 382.486 0.887 0 50 GCAA Cc1cnc2c(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)cnn2c1 1857686999 MIEWTBKNULYLPL-IRXDYDNUSA-N 383.456 0.915 0 50 GCAA COc1nc2c(cc1CN1C[C@H]3COC[C@@H](C1)C(=O)N3C)C(=O)N(C(C)C)C2 1875240709 XVRKLWKTKDXVRH-CABCVRRESA-N 388.468 0.743 0 50 GCAA CCCCNC(=O)N1CCc2nc(C(=O)N[C@H]3CCCNC3=O)cn2CC1 1875251575 WQQXSSVIQDQJPZ-ZDUSSCGKSA-N 376.461 0.259 0 50 GCAA O=C(Nc1nccn1CC(F)(F)F)C(=O)N1CCC[C@]2(CCCNC2=O)C1 2325790506 RDGZKKNAVIAEFC-OAHLLOKOSA-N 387.362 0.903 0 50 GCAA O=C(NC1CN(C(=O)[C@@]23C[C@@H](O)[C@@H]2C3)C1)c1cncc2nc(C(F)(F)F)[nH]c12 2325878329 LIVHVDKVNDUBSE-ZXLZKYRFSA-N 395.341 0.688 0 50 GCAA COC(=O)COc1ccccc1/C=C1/C(=O)N(C)C(=S)N1CC(=O)OC 1135644 PKLLKUZIXGPSNX-WQLSENKSSA-N 378.406 0.811 0 50 GCAA COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@@]12C(=O)Nc1ccccc12 2105988 JSJQQTVPNWWWAY-LJQANCHMSA-N 388.376 0.714 0 50 GCAA biogenic COc1ccccc1OCC(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 11997208 RGPCROXZCQVCCT-AWEZNQCLSA-N 385.486 0.709 0 50 GCAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2nccn2C)C1 14732778 LXCAAHSJHTYJTM-QZTJIDSGSA-N 377.533 0.963 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 20368217 DZNSVRHLCFZTJA-UHFFFAOYSA-N 395.525 0.844 0 50 GCAA COc1ccc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)cc1Cn1cccn1 65488097 JQZVQXGPQGDJQS-QGZVFWFLSA-N 383.452 0.425 0 50 GCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)C[C@@H]1CNCCO1)C2 72167775 OAOZTEGISCJREX-OAHLLOKOSA-N 382.468 0.868 0 50 GCAA Cc1ncc(C(=O)N2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72458540 JOBXMKVKILXQEK-MSOLQXFVSA-N 386.477 0.909 0 50 GCAA O=C(NCc1cc2n(n1)CCNC2)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 82156600 KTDOPZDBIGTCQN-UGNRZPKXSA-N 397.479 0.327 0 50 GCAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc(N3CCOCC3)nc1)CC2 91269626 QYXMFCBABACUCN-CVEARBPZSA-N 376.457 0.705 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1snnc1C)CC2 95505314 GQKLIEUYXFRAAX-UHFFFAOYSA-N 390.469 0.732 0 50 GCAA O=C(CN1CCCC1)N1CCC2(CCN(Cc3ncc[nH]3)CC2)[C@@H](CO)C1 97514225 GOIFXTHDWBKRDZ-QGZVFWFLSA-N 375.517 0.929 0 50 GCAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)CCCN1CCCC1)C2 218786180 FPGJCPCPUYRKKN-KRWDZBQOSA-N 377.489 0.613 0 50 GCAA Cn1c(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)nc2ccccc21 248024662 KSYUAIBQJYBIKJ-SJCJKPOMSA-N 378.454 0.351 0 50 GCAA CCOCCCN1CC[C@H](N[C@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 253369934 KAXRWMBPXYSZTP-SCTDSRPQSA-N 382.549 0.792 0 50 GCAA Cn1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 299800673 UYYCSPZGFXIDPA-GOSISDBHSA-N 389.500 0.499 0 50 GCAA Cc1cc(C)n2nc(C)c(C(=O)N3CCn4c(nn(CC(F)F)c4=O)C3)c2n1 364195396 AWBJRVOWJWXGDJ-UHFFFAOYSA-N 391.382 0.934 0 50 GCAA Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(F)(F)C3(O)CCC3)no2)cn1 378567048 MISCYTKFNVIELP-LLVKDONJSA-N 383.355 0.920 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)c3csc(C(C)C)n3)C[C@]2(C(=O)O)C1 426612471 DBNOLIDYYFDZOY-PIGZYNQJSA-N 381.454 0.898 0 50 GCAA CS(=O)(=O)N1CCn2nc(CNC(=O)[C@H](O)c3ccc(F)cc3)cc2C1 534648615 FZRUAQOPMNZDNR-OAHLLOKOSA-N 382.417 0.147 0 50 GCAA COc1c(N)ccnc1-c1cccc(C(=O)NCCS(=O)(=O)N(C)C)c1 584884997 AMRJAYOYLUSEJV-UHFFFAOYSA-N 378.454 0.961 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(O)c2cccc(F)c2n1 1704305415 QAYKYVUWELHVMM-HZMBPMFUSA-N 397.428 0.716 0 50 GCAA Cc1nn[nH]c1C(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)C1CC1)[C@@H]2O 1772701967 CNVHKTWPULPYOT-DLBZAZTESA-N 377.445 0.154 0 50 GCAA CSc1ncc(C(=O)N2CCCN(C(=O)CN3CCCC3=O)CC2)cn1 1772710130 RLGOIQCOKDVBOZ-UHFFFAOYSA-N 377.470 0.495 0 50 GCAA COCC(=O)N[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CC[C@@H]1O 1857670226 BQAWCXLQPFNQQV-KGLIPLIRSA-N 398.843 0.378 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)s1 1857708809 OIZXBFPJXGKDKC-JTQLQIEISA-N 390.469 0.956 0 50 GCAA CC(C)[C@H](NC(=O)C(F)(F)c1ccc(=O)n(C)c1)C(=O)N1CCC[C@H](N)C1 1875305940 NIOUGTXXSQEYED-ZFWWWQNUSA-N 384.427 0.568 0 50 GCAA CS(=O)(=O)CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1875310264 KVXSCFWQPBNEBW-HNNXBMFYSA-N 379.482 0.810 0 50 GCAA O=C(N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCc4ncnn43)C[C@@H]21)c1cn[nH]c1 1875361851 FJCHECWFVAPXPG-BVUBDWEXSA-N 383.456 0.936 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1nc(-c2ccco2)no1 1940197639 FGIVQVNOFPRUNS-RYUDHWBXSA-N 398.441 0.285 0 50 GCAA CN(CCO)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cccnc1O)C[C@H]2O 2356153941 BFTCXVHNWBRZBN-JPAWQOSXSA-N 397.475 0.928 0 50 GCAA O=C1CN(C(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3csc4ccccc34)C2)CCN1 2356157360 HJJOMQSPDSNOJH-CQDKDKBSSA-N 387.461 0.729 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCC(N)CC1)CO2 71759785 ATJJGZHEVQBIFM-MRXNPFEDSA-N 390.484 0.600 0 50 GCAA Cc1sc2ncc(C(=O)N3CCNC[C@H]3C(=O)NC3CC3)c(=O)n2c1C 72173818 AFNCPAIZVZZAQB-ZDUSSCGKSA-N 375.454 0.065 0 50 GCAA CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72441877 YIOGKXTZECSSEX-ZDUSSCGKSA-N 398.485 0.512 0 50 GCAA O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 95359494 IXPAFSCYYGAOIM-HNNXBMFYSA-N 378.454 0.770 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@H]3CCCN(C(=O)N(C)C)C3)CC2)nc(N)n1 95361257 LGQPYWMBVQJCHZ-AWEZNQCLSA-N 375.477 0.409 0 50 GCAA Cn1nnc(Br)c1S(=O)(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1 225428359 VRPVMMCBKDJNGK-WDEREUQCSA-N 386.275 0.693 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(O)nc2cc(F)ccc12 1704298784 KEALPFLUAOUERT-ZUZCIYMTSA-N 397.428 0.716 0 50 GCAA Cc1cc(=O)n(CCN2CCCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c(O)n1 1772701675 GQNCEMHZBZDBLP-UHFFFAOYSA-N 396.451 0.982 0 50 GCAA Cn1nccc1CCC(=O)N1CCCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 1772814990 BNTJZABDZFAPIT-QGZVFWFLSA-N 399.499 0.453 0 50 GCAA COCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N3CC[C@@H](O)C3)sc12 1857682249 SYTHXRHKGABQJO-CQSZACIVSA-N 394.493 0.992 0 50 GCAA Cc1nc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)[nH]n2c(=O)c1C 1875251066 USPJBDGOXHWUAQ-GFCCVEGCSA-N 381.396 0.417 0 50 GCAA C[C@@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 5251906 MZWVNJHSSTTZFF-GFCCVEGCSA-N 383.408 0.638 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C)CC2)cc1OC 11878424 KSCFYEXOFWLQEJ-INIZCTEOSA-N 390.484 0.168 0 50 GCAA NC(=O)C1CCN(C(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)CC1 12003358 WYBIFOGSDJOHRB-UHFFFAOYSA-N 399.856 0.744 0 50 GCAA CC(C)[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)CO2)c1nnc2n1CCNCC2 67841045 LONIONXERFRNRI-IBGZPJMESA-N 398.467 0.811 0 50 GCAA CCCCN1CCN([C@@H](C(=O)NCc2n[nH]c(N)n2)c2ccccc2)C(=O)C1=O 77357655 NDNFBXRIJOBORN-OAHLLOKOSA-N 399.455 0.215 0 50 GCAA Cc1ccnn1CCC(=O)N1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77408112 WOLMICOFQKUJCB-LSDHHAIUSA-N 382.486 0.074 0 50 GCAA COCCN(C)C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C[C@@H]1CO 91304068 BWEQYKFVXFXRIC-ZIAGYGMSSA-N 391.443 0.926 0 50 GCAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)CC(=O)NC)c2)CC1 95521951 JWDGSIXXTOHVOV-SFHVURJKSA-N 378.517 0.242 0 50 GCAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CN2CCCC2=O)CC1 96150184 QKKJRZDZZURFLY-UHFFFAOYSA-N 385.472 0.871 0 50 GCAA CC(C)(C)N(CC(N)=O)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 177837143 FIAQDLODQDOSGR-UHFFFAOYSA-N 388.512 0.852 0 50 GCAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1 262407061 BPTBDHSVHQVVAC-SJCJKPOMSA-N 376.409 0.997 0 50 GCAA COc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)ncn1 364102831 SPLNJXLVLXSPJS-OAHLLOKOSA-N 396.451 0.578 0 50 GCAA CN(C)C[C@]12CN(C(=O)CCc3ccccc3)C[C@@H]1CN(C(=O)c1cnn[nH]1)C2 1772708914 GJSKYCMNIMTYDW-DYESRHJHSA-N 396.495 0.900 0 50 GCAA CCCC(=O)NCC(=O)N[C@@H]1CCCCCN(C(=O)c2ccc(C(N)=O)o2)C1 1775992985 XWULJVASNLRHBB-CYBMUJFWSA-N 392.456 0.796 0 50 GCAA CNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](NC3CCOCC3)[C@@H](O)C2)o1 1857689958 QKKLXEINYOUMLD-RCBQFDQVSA-N 379.457 0.554 0 50 GCAA NCCc1nc(C(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)cs1 1875266749 DFBVXGBVRKKSFS-SWLSCSKDSA-N 388.449 0.801 0 50 GCAA Cn1cc(S(=O)(=O)N2CCCCNC(=O)C[C@H]3CCCCN3CCC2)cn1 2100533522 SYYSTDGTXNKYLK-MRXNPFEDSA-N 397.545 0.956 0 50 GCAA CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)N=c2ccn(Cc3ccncc3)[nH]2)C1 2325759947 VGGLFLWAAASHOW-QGZVFWFLSA-N 395.467 0.955 0 50 GCAA O=C(C(=O)N1C[C@]23CCCC[C@@]2(C1)CS(=O)(=O)C3)N1CCC2(CCN2)CC1 2325774464 IFTUGXDIDUACBW-HDICACEKSA-N 395.525 0.158 0 50 GCAA CNC(=O)c1cc(NC(=O)[C@@H](Cc2ccco2)C(=O)OC)cc(C(=O)NC)c1 2325872495 ADYREBMYYUZORU-OAHLLOKOSA-N 387.392 0.969 0 50 GCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCOCC2(CC2)C1)c1cccs1 2332237783 LDUDODMMPNRKLE-CHWSQXEVSA-N 398.506 0.530 0 50 GCAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CC(N2CCOCC2)C1 2356135115 QARYFMUSSICACB-QRFQSNJMSA-N 396.491 0.861 0 50 GCAA COc1ccc(OC)c(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 67613523 BGQDRXUEUOVVGA-UHFFFAOYSA-N 385.486 0.680 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)NCc3cccc(C)c3)nn2)CN1 67946597 MEQMDFUOYALZIF-IRXDYDNUSA-N 385.472 0.625 0 50 GCAA CC(C)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 72435741 PHKXFWBLAJCTAM-KGLIPLIRSA-N 380.470 0.045 0 50 GCAA O=C1CN(CC(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)C(=O)N1 91755358 PYZQKXLTNWSJKT-LJQANCHMSA-N 376.457 0.712 0 50 GCAA Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)o1 97729621 XHIIKWHWNKCUGH-LBPRGKRZSA-N 380.426 0.623 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1nc3ccccc3[nH]1)C2 212950270 WHGKZERUCOZDLR-OLZOCXBDSA-N 377.470 0.906 0 50 GCAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cnc(N2CCOCC2)nc1 219338076 XYPHWXOMXFIBIE-IRXDYDNUSA-N 376.457 0.875 0 50 GCAA Cc1ccc(-c2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NS(C)(=O)=O)[nH]n2)o1 220120543 HRGWRNFWMDCTKJ-KYQLBWAOSA-N 380.426 0.413 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1 269702728 NENJMEUJIQOVMF-INIZCTEOSA-N 392.481 0.914 0 50 GCAA CN(C)Cc1csc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1 299801758 XSXYDMCAOUUABI-HUUCEWRRSA-N 376.548 0.141 0 50 GCAA CNc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 332466818 RAVXIIBRWOIRIE-HUUCEWRRSA-N 387.889 0.297 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 435704293 DSRDRIBPCHOPFL-CYBMUJFWSA-N 390.845 0.527 0 50 GCAA CCCN([C@H]1CC(=O)N(C)C1=O)S(=O)(=O)c1cnn2c1OCC(C)(C)C2 1463584241 NZLPZEOSHMZBJI-NSHDSACASA-N 384.458 0.460 0 50 GCAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c2c(O)nc(=O)n(C)c2n1 1704336915 MHLVHQBJOCLSBZ-BXUZGUMPSA-N 398.423 0.050 0 50 GCAA CCOCC(=O)N1C[C@@H]2CN(C(=O)C3CCN(C)CC3)C[C@]2(CCC(=O)O)C1 1772819726 QYFOCQKPAVGRQW-UZLBHIALSA-N 395.500 0.517 0 50 GCAA COc1cc(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cnc3C)CC[C@@H]2O)ccc1F 1857667139 DCJPHGQETGGMQU-CVEARBPZSA-N 390.415 0.800 0 50 GCAA O=C(CCc1cn[nH]c1)N[C@@H]1CCC[C@@H](NC(=O)CN2CCCCC2=O)C1 1857706900 AWKDHZFAKVKEKM-HZPDHXFCSA-N 375.473 0.898 0 50 GCAA Cc1ccc2oc(N3CCC(C(=O)N4CCN5CCNC(=O)[C@H]5C4)CC3)nc2n1 1857724856 PXQUDADJBNXSLZ-OAHLLOKOSA-N 398.467 0.390 0 50 GCAA CCn1cc(C(=O)NCC23CC(C(=O)N(C)C)(C2)C2(CCNCC2)O3)c(C)n1 1875393269 KLHPQFWATQEGCJ-UHFFFAOYSA-N 389.500 0.701 0 50 GCAA Cc1conc1CN1C[C@@H](CC(=O)N[C@@H](C)c2nnnn2C)OCC12CCC2 2325785198 JNZWGXHRLYEPBS-UONOGXRCSA-N 389.460 0.898 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)N1CCC(OCc2cccnc2)CC1 2356148251 NZJLFOAVVKULRV-MZGCJMJGSA-N 389.496 0.413 0 50 GCAA Cn1cnc(-c2ccccc2)c1N(CC(=O)N1CCOCC1)S(C)(=O)=O 2356152606 RNDAUFYCYAKXHX-UHFFFAOYSA-N 378.454 0.712 0 50 GCAA CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 637682 RPVBTPSKJZHLJS-ZDUSSCGKSA-N 387.440 0.614 0 50 GCAA biogenic COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CNC(C)=O)C2)cc1 12759312 FWALKMOEKCPYNA-CQSZACIVSA-N 383.470 0.348 0 50 GCAA OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 15919781 HSTZMXCBWJGKHG-BUFXCDORSA-N 390.388 0.447 0 50 GCAA endogenous,in-man CC[C@H](C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1)N1CCOCC1 71767719 VFMKYYXYLNRVET-MRXNPFEDSA-N 376.505 0.604 0 50 GCAA CC(C)=CCN1CCN(C(=O)c2cnc(C)nc2C)[C@H]2CS(=O)(=O)C[C@H]21 72475568 BVJZCKFFUBHCTJ-SJORKVTESA-N 378.498 0.983 0 50 GCAA O=C(Cc1cc(=O)[nH]nc1O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91624781 XTUDMWBONMLGLX-IBGZPJMESA-N 390.440 0.038 0 50 GCAA Cc1cccn2c(=O)cc(Cn3ncc(N4CCC(CN)CC4)cc3=O)nc12 95362990 FTFJREAYEGNHMN-UHFFFAOYSA-N 380.452 0.783 0 50 GCAA COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN1CCCCC1 95528474 CTKUGNSGHSVEGJ-QGZVFWFLSA-N 377.485 0.853 0 50 GCAA CS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 95590722 BKOWIHMCGFRARN-UHFFFAOYSA-N 383.499 0.946 0 50 GCAA in-vitro C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 100813466 UYCSCAFSVRPVEP-BMGDILEWSA-N 399.447 0.875 0 50 GCAA CCn1cc(C(=O)N2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)cn1 213138777 HFPWFXYOXIYTLN-CVEARBPZSA-N 377.445 0.271 0 50 GCAA C[C@H]1CN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)nc3)cn2)C[C@@H](C)O1 270574911 BSDFETYZIHHREX-TXEJJXNPSA-N 391.453 0.990 0 50 GCAA Cc1cc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3c3ncnn3C)C2)n(C)n1 288476797 NBGYDDMGJJOSLN-GJZGRUSLSA-N 388.476 0.609 0 50 GCAA C[C@]1(c2ccc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2)NC(=O)NC1=O 363599851 HAHKPCODZCNUFS-GQIGUUNPSA-N 386.452 0.412 0 50 GCAA CN(c1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1)S(C)(=O)=O 1704347415 KYSAAUIZZGAOPW-RHSMWYFYSA-N 390.465 0.548 0 50 GCAA CN1CCC[C@H]1C(=O)N1CCCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 1775983753 AKTLFJDBXMJBFO-SFHVURJKSA-N 394.541 0.992 0 50 GCAA Cn1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)ccc1=O 1857712621 SCCDWQPQMJBRCD-ICSRJNTNSA-N 398.463 0.695 0 50 GCAA Cc1nnnn1CCC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857730328 MPMZMMIWYGNSQY-MDZRGWNJSA-N 382.424 0.673 0 50 GCAA CC(=O)N1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(C)C(=O)CCC1 1875242527 WRCSUXKWMCZCFF-CQSZACIVSA-N 375.473 0.498 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)CC1 1875268308 QTGYWQFYWOUHGP-JGGQBBKZSA-N 388.443 0.878 0 50 GCAA CS(=O)(=O)c1ccc(NCC(=O)N2CCO[C@H](Cn3cncn3)C2)cc1 1875327829 MNTTZKRTNQDGIB-AWEZNQCLSA-N 379.442 0.021 0 50 GCAA Cc1nn(C)c(C)c1Cc1nc(-c2nc[nH]n2)nn1[C@@H]1CCCS(=O)(=O)C1 1875331149 RQARPKXNEVHOQB-GFCCVEGCSA-N 390.473 0.754 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CCC[C@@H](C(=O)O)C4)cc3C2=O)C(=O)N1 2325895536 CPNIJDKZFFKIQL-UKRRQHHQSA-N 399.403 0.384 0 50 GCAA CN1CCN(CCNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)C1=O 2356161549 ZMWGNBDNMOYLKQ-NVAPDCRFSA-N 397.479 0.802 0 50 GCAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 14742591 QGDXWOPGWUTMEY-UHFFFAOYSA-N 376.505 0.909 0 50 GCAA COCC(=O)N1CCCN(CC(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 65492617 HVNBEFJXZLNRQM-UHFFFAOYSA-N 376.457 0.789 0 50 GCAA COc1ccc(C)cc1N([C@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 67338686 KEEMCRIQIOQTOE-CYBMUJFWSA-N 397.497 0.882 0 50 GCAA O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)[C@@H]1C[C@@H](O)CN1 67955744 FNEHZXWXRBRVTL-SJORKVTESA-N 382.468 0.142 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C)(C)CO)cc1OC 72159216 RPMACGZURIOYQR-AWEZNQCLSA-N 379.457 0.281 0 50 GCAA Cc1ccc(CN2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 77520960 YQEBOPQLCRKFSI-ZWKOTPCHSA-N 379.526 0.675 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)C1=O 91644838 NICIDNNMJLFWGL-IBGZPJMESA-N 376.457 0.568 0 50 GCAA COCc1cccc(C(=O)N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)n1 95368253 XOLAFPBGGJTHMD-CXAGYDPISA-N 383.470 0.087 0 50 GCAA CC(C)(C)c1cc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)[nH]n1 221258701 TYTXNCFUUIFMPI-HNNXBMFYSA-N 381.502 0.998 0 50 GCAA Cn1c(CO)nnc1[C@H]1C[C@H](NS(=O)(=O)c2cccc3nsnc23)C1 252527664 DCPWUIOLRUPWSD-KYZUINATSA-N 380.455 0.537 0 50 GCAA CN(C[C@@H](O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1)C1CC1 952894268 YJOBGRMAYZWECF-GOSISDBHSA-N 375.517 0.948 0 50 GCAA CCn1cnnc1CN1CCCN(C(=O)[C@H]2CCCCN2C(=O)OC)CC1 1529106919 UGEVLNQSCMJYDI-OAHLLOKOSA-N 378.477 0.953 0 50 GCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1704302539 OTWVHQONCNLUSR-HZSPNIEDSA-N 379.482 0.971 0 50 GCAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@]2(CO)C1 1772812288 FBJUMFVRRPPPAP-KBXCAEBGSA-N 396.513 0.783 0 50 GCAA Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCO)CC[C@H]2O)c2c(C)noc2n1 1857705265 ZYZDNUBSAMTHOS-IACUBPJLSA-N 376.413 0.208 0 50 GCAA CO[C@H]1C[C@@H](c2nc(CC(N)=O)nn2-c2cnc3ccccc3n2)CC[C@@H]1N 1857724276 SLZCJXCPPKYSKK-HUBLWGQQSA-N 381.440 0.848 0 50 GCAA CCn1nc(Br)c(C(=O)NCCCn2cnc3c(N)ncnc32)n1 1875345294 VAGCVACYZTXWQJ-UHFFFAOYSA-N 394.237 0.603 0 50 GCAA COC(=O)/C=C/C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1875380728 XRYREJIJLHYAHI-VOTSOKGWSA-N 382.438 0.194 0 50 GCAA N=c1[nH]cc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCc4nocc4C3)CC[C@H]2O)s1 2100483684 KKLMDCOKPXMLQT-ZWKOPEQDSA-N 391.453 0.388 0 50 GCAA O=C([C@@H]1CN2CCN1CC2)N1CCCC[C@H]1Cc1ccc(-c2nn[nH]n2)cc1 2325808689 VZJSDFQWBITRBM-ROUUACIJSA-N 381.484 0.790 0 50 GCAA CC(C)[C@@H](NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895689 GSRNUPWXGFRTBA-DZGCQCFKSA-N 387.392 0.287 0 50 GCAA O=C(Cn1nnnc1CN1CCOCC1)NCc1cnn(Cc2ccccc2)c1 23340253 OPVRXBIHEMTKRO-UHFFFAOYSA-N 396.455 0.067 0 50 GCAA CCCCc1nn(CC(=O)NC[C@@H](C)O)c(=O)n1-c1ccc2c(c1)OCO2 77341427 GHNNCCOYUVCDMR-GFCCVEGCSA-N 376.413 0.602 0 50 GCAA Cc1cc(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)o1 77564878 TYNVAQDCZWBLTK-LSDHHAIUSA-N 376.438 0.814 0 50 GCAA C[C@H]1CN(C[C@@H]2CN(C(=O)CN(C)Cc3ccccn3)C[C@@H]2CO)C[C@@H](C)O1 95384169 AQICXKSOBMUFPN-FCGDIQPGSA-N 390.528 0.690 0 50 GCAA Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC(F)(F)CN)CC1 190188923 XAYPRNITDJQBOC-UHFFFAOYSA-N 380.417 0.402 0 50 GCAA O=C(O)c1csc(CCNC(=O)[C@@H]2Cc3ccccc3S(=O)(=O)N2)n1 217180192 NBPBAXJLPBFRHX-JTQLQIEISA-N 381.435 0.403 0 50 GCAA COCC(=O)N1CCc2cc(NC(=O)N3CCOC[C@H]3c3nc[nH]n3)ccc21 329066729 WRJFOCTZSVUJED-HNNXBMFYSA-N 386.412 0.946 0 50 GCAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 378047196 NTOLGOPYCBQDKG-RVKKMQEKSA-N 375.425 0.367 0 50 GCAA C[C@@H]1OCC[C@@]1(O)Cn1cnc2c(N3CCO[C@]4(CCOC4)C3)ncnc21 888097939 URTWHCVTPYADGW-MORSLUCNSA-N 375.429 0.362 0 50 GCAA Cc1ccccc1CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@]2(CO)C1 1772704814 FKPZRFMZVSABFT-IERDGZPVSA-N 396.447 0.214 0 50 GCAA CS(=O)(=O)NCCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1ccccc1F 1857685838 WTQWQFSBJVQLQJ-HOTGVXAUSA-N 397.472 0.509 0 50 GCAA CN(C)CC(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857699190 QWKJZYWDICAOHA-SFHVURJKSA-N 393.459 0.985 0 50 GCAA CC(=O)N1CC2(C1)[C@@H](C(=O)N(C)Cc1c(F)cccc1F)CCS2(=O)=O 1875396258 ZYZINNDCSGKHDB-CYBMUJFWSA-N 386.420 0.959 0 50 GCAA C[C@H]1C[C@@H]1C(=O)N1CCn2ncc([S@@](C)(=O)=NC(=O)c3cn(C)nn3)c2C1 2325784612 ZKAVTILVHNMIGO-BPUPXMBJSA-N 391.457 0.307 0 50 GCAA CCN(CC)C(=O)Cn1cc(C(=O)NCC2CCN(CCOC)CC2)nn1 12747096 JUBXQMQKLBVFRR-UHFFFAOYSA-N 380.493 0.235 0 50 GCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3cnccn3)CC2)o1 15065091 AHSBEIMORCNCPG-KRWDZBQOSA-N 398.467 0.417 0 50 GCAA O=C(c1ccc(N2[C@H]3CC[C@@H]2CNC3)nc1)N1CCC(N2CCOCC2)CC1 67713370 FSOZXRYIWLGMPZ-KDURUIRLSA-N 385.512 0.959 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)Cn3cccn3)CC2)C1 71759250 SQAHIPDUZBGBJX-INIZCTEOSA-N 377.489 0.349 0 50 GCAA Cc1cccc(-n2nc(Cc3ccccc3)n(CC(=O)NCC(N)=O)c2=O)c1 77338221 WAKQWMJLYVNHLY-UHFFFAOYSA-N 379.420 0.535 0 50 GCAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)NCCSc2cn[nH]n2)c1 96149857 RKGDGPZOEKWXLI-UHFFFAOYSA-N 385.475 0.937 0 50 GCAA COc1ccccc1OCc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)no1 212531667 OYNZSAQBPMOHGV-STQMWFEESA-N 382.394 0.150 0 50 GCAA CN(C)C(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299759885 OLHNPTYOTKPJNN-SFHVURJKSA-N 393.459 0.985 0 50 GCAA C[C@]1([C@@H]2CCCN(C(=O)NCCNC(=O)c3ccccc3)C2)NC(=O)NC1=O 378179887 NBNBBJMEOTUVFR-AUUYWEPGSA-N 387.440 0.436 0 50 GCAA O=C1CC[C@@H](OC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)C(=O)N1 798659666 DDCYXONOMAIBFF-JKSUJKDBSA-N 381.388 0.771 0 50 GCAA CS(=O)(=O)NCCC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828052340 UMIALDGUJDVYQY-UHFFFAOYSA-N 382.486 0.989 0 50 GCAA CC(C)c1noc(C2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 952963316 JGPKZWSZVSVKSF-LBPRGKRZSA-N 377.488 0.889 0 50 GCAA Nc1nc2c(c(C(=O)N[C@H]3CCN(Cc4ccccn4)C[C@@H]3O)n1)CCCC2 1565526101 SNZQNLBQNMIDRA-IRXDYDNUSA-N 382.468 0.698 0 50 GCAA CN1CC(=O)N(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)C1=O 1704280557 ASHHFUNMYTWRIL-RHSMWYFYSA-N 382.420 0.803 0 50 GCAA CC[C@H](CC(F)F)C(=O)NC[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1775997023 QSVHRCRVWWZRNY-NEPJUHHUSA-N 388.415 0.717 0 50 GCAA C[C@]1(O)[C@](C)(O)[C@@](C)(O)[C@@H](N2CCN(Cc3ccccc3)CC2)O[C@]1(C)CO 1848442266 XOSLXWLHQVUTQP-QGLKVJOYSA-N 394.512 0.165 0 50 GCAA O=CN[C@H](Cc1ccsc1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)CC1 1875321772 UXHHPTYRMUUQHC-JKSUJKDBSA-N 399.538 0.822 0 50 GCAA Cc1cnc(N2CC3(CN(C)C[C@H]3c3ccnc(N4CCOCC4)n3)C2)nc1 1875392979 CADYWLCIJYVRLV-INIZCTEOSA-N 381.484 0.947 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2cc(Cl)cn2)CC[C@H]1NC(=O)CO 2100477284 ZSPGTSYBBIPIDG-NWANDNLSSA-N 386.880 0.725 0 50 GCAA Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c1 20454726 UWLXWFPXLNVBDT-QGZVFWFLSA-N 396.495 0.848 0 50 GCAA CCN1CCN(c2nc(-c3cnc(N4CCOCC4)nc3C)cc(=O)[nH]2)CC1 36235539 BUKQQDDOWPLARC-UHFFFAOYSA-N 385.472 0.514 0 50 GCAA O=C(c1ccc(CO)cc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67562069 RDZQHGNWHIUXSX-ZWKOTPCHSA-N 389.452 0.546 0 50 GCAA O=C(NC[C@@H]1COCCO1)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 95379618 VMIWOCJAKGJUIL-LLVKDONJSA-N 382.360 0.672 0 50 GCAA C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCNC(=O)c1ccn[nH]1 181585120 GFZZGKGLOWAGEE-HOCLYGCPSA-N 385.472 0.744 0 50 GCAA CC1(CO)CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCNC3)c2)CC1 215911351 VPCSRJMPBQBEAG-HNNXBMFYSA-N 381.498 0.561 0 50 GCAA C[C@@H](CCN1CCOCC1)NS(=O)(=O)c1cccc(C(=O)NCCF)c1 215980170 COIKHWSQJLVHDZ-AWEZNQCLSA-N 387.477 0.775 0 50 GCAA Cn1ccnc1[C@H]1CNCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 261810827 WVANYKHSCXDSIT-OAHLLOKOSA-N 382.424 0.259 0 50 GCAA Cn1nnnc1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 283501590 DOQJZNFGJIQYJE-KBPBESRZSA-N 381.396 0.418 0 50 GCAA CN(CCC(N)=O)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 376190380 YQSPNGLYHKEZHE-SECBINFHSA-N 379.891 0.888 0 50 GCAA O=C(NCC1CCN(C(=O)c2ccc(-n3cnnc3)nc2)CC1)[C@@H]1CCOC1 952860532 PVEUWAYECDRLFR-MRXNPFEDSA-N 384.440 0.667 0 50 GCAA Cc1ccn2c(C(=O)N3CCCN(C(=O)Cn4nc(C)cc4C)CC3)nnc2n1 1529180026 AOIYVOJYWYZZMM-UHFFFAOYSA-N 396.455 0.621 0 50 GCAA CCc1cc(N2CCO[C@@H](c3nnn(CCOC)n3)C2)nc(N2CCCC2)n1 1875246458 IDKPUFLCZVAHLO-OAHLLOKOSA-N 388.476 0.850 0 50 GCAA Cn1cc(C(=O)N2CCO[C@@H](Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326864 POEIINKWAMBAIH-CQSZACIVSA-N 397.395 0.313 0 50 GCAA Cc1cnc(N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCOCC4)n3)C2)nc1 1875392980 CADYWLCIJYVRLV-MRXNPFEDSA-N 381.484 0.947 0 50 GCAA N=c1[nH]c2c(s1)CN(C(=O)[C@H]1OCC(=O)N(C3CC3)[C@@H]1c1cccnc1)CC2 2100483867 VCXXTSSKRIWXRT-SJORKVTESA-N 399.476 0.966 0 50 GCAA Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CC(c3cccc(Cl)c3F)=NO1)C2 2325760201 DQCVKMNTOBALHA-LBPRGKRZSA-N 379.779 0.910 0 50 GCAA CC[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)CCC2CCC2)CCO1 2332237661 GKVSTBAIESGGOQ-BZUAXINKSA-N 386.514 0.734 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCC(C)(C)CO 11879985 QDWCOLLMPJKSMS-MRXNPFEDSA-N 377.485 0.911 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCN(C(=O)c2cccs2)CC1 12025697 POWZDKOKOCNFFC-UHFFFAOYSA-N 391.501 0.559 0 50 GCAA C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Br)cc3)CN2C1=O 14752331 LIJBDIDPNJPXKA-YJRXYDGGSA-N 396.241 0.028 0 50 GCAA CCOC(=O)CNc1ncc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cn1 63834764 FGISIPRRMWBYAB-OAHLLOKOSA-N 377.445 0.275 0 50 GCAA Cc1nc(CNC(=O)C[C@H]2COCCN2C(=O)CN2CCOC2=O)cs1 72462809 IOKXRSGPEVVZFZ-ZDUSSCGKSA-N 382.442 0.137 0 50 GCAA Cc1c(O)cccc1C(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77388669 DQSBMAGLKYIFDT-UONOGXRCSA-N 381.454 0.306 0 50 GCAA COc1ccc(CNC(=O)CCN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)cc1 95368595 RAYSBURLUSMZMU-MRXNPFEDSA-N 389.452 0.757 0 50 GCAA Cn1ccnc1CN(CCO)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 95380884 SKWXEILSEVTHLH-UHFFFAOYSA-N 378.454 0.496 0 50 GCAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218151359 VWBJKTMONVVFTH-VXGBXAGGSA-N 381.458 0.192 0 50 GCAA CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 225694462 QWWCLSHJQWSNQJ-LPWJVIDDSA-N 380.401 0.096 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1 275367074 WPPPPBGEXNIGDI-JKSUJKDBSA-N 378.454 0.978 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)C[C@H]2O)no1 299796154 NDYMHIYBSXKLBH-CZUORRHYSA-N 387.440 0.601 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C1=Cc2ccccc2OC=C1 1704298051 CXFHBPFQZYMUSL-HOTGVXAUSA-N 378.450 0.999 0 50 GCAA Cn1nncc1CC(=O)NC[C@@]1(C2CC2)CCN(C(=O)Cc2cncs2)C1 1875362203 VQPLTCYBXABXRQ-SFHVURJKSA-N 388.497 0.802 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1NC(=O)c1oc(C)nc1C 2100537082 HZSPCVRJHXGEMA-ARFHVFGLSA-N 378.473 0.979 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@H]1NC(=O)c1cc(=N)[nH][nH]1 2100544647 CNVTXPBEDYDSKE-JGGQBBKZSA-N 393.488 0.811 0 50 GCAA COc1cccc([C@@H](O)CNC(=O)CSc2nc3nc(C)cc(O)n3n2)n1 2356140164 WYDJIJMNNCQCOS-NSHDSACASA-N 390.425 0.484 0 50 GCAA CCn1c(C2CCN(C(=O)Cc3nc4nc(C)cc(C)n4n3)CC2)n[nH]c1=O 67688430 PQPQCJMZIXOHRK-UHFFFAOYSA-N 384.444 0.595 0 50 GCAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)OC1=O 72428328 DUOARSLQJPKPAI-CYBMUJFWSA-N 378.429 0.539 0 50 GCAA Cc1c(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)cnc2ccnn12 77426215 OFWWKLFUDUZJFL-UHFFFAOYSA-N 381.440 0.778 0 50 GCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91794311 MIKNWOBKVTZVQJ-FQEVSTJZSA-N 388.468 0.568 0 50 GCAA CN(CCc1cnn(C)c1)C(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1 95385868 UZDSEUONFFJGTL-UHFFFAOYSA-N 378.454 0.100 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)nc2)CN1C(=O)CCO 96165541 BBRJJWXHLKCMNX-CVEARBPZSA-N 376.457 0.340 0 50 GCAA CC[C@H](C)[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252536979 KASBZRKKXLWJGO-YUTCNCBUSA-N 391.424 0.953 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(C)c(C)nc2O)C1 253535382 WGMYPMGXQZHWMS-BETUJISGSA-N 375.429 0.810 0 50 GCAA O=C(c1cc(N2CCNC2=O)ccc1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 265651797 UQASNXTUWBBHFP-INIZCTEOSA-N 390.415 0.819 0 50 GCAA COc1cccc(CCCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CCNC2)c1 328607592 WPZLOLYIRQWHAV-SFHVURJKSA-N 386.496 0.889 0 50 GCAA Cn1cc([C@H](O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)c(=O)n(C)c1=O 371101598 WDFXOSJJTSSTJD-GOSISDBHSA-N 389.427 0.738 0 50 GCAA CCN=c1cc[nH]c(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)n1 426628735 HWBWEPJTSSWJDB-UHFFFAOYSA-N 377.470 0.619 0 50 GCAA CN(CCC(=O)N1CCN(Cc2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 823668450 MIAKXRXUVKQOBX-OAHLLOKOSA-N 385.555 0.901 0 50 GCAA COc1ccc(CNC(=O)CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)cc1OC 1599565195 IMNCTYVYBVEJEU-IFXJQAMLSA-N 378.425 0.743 0 50 GCAA COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4nonc4C)[C@H]4CC[C@]3(C2)O4)n1 1857712645 KFMVVLYWHKBWKJ-NVAPZFDKSA-N 386.412 0.590 0 50 GCAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)N3C[C@@H]4CC[C@@H](N)[C@H]4C3)nc12 1875350204 FCOQUNDRXKXVTA-SDDRHHMPSA-N 380.408 0.898 0 50 GCAA C=CC(=O)N(CC)CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)CN2C(=O)OC(C)(C)C 1875367635 YSQVVHSBGLBKML-UONOGXRCSA-N 394.472 0.357 0 50 GCAA CC(=O)O[C@@H]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 2325775713 AODYXBMIRQQGGY-MRXNPFEDSA-N 399.444 0.466 0 50 GCAA O=C(NC1CCN(CCO)CC1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356140181 XSEFREQIAHCJDL-NRJQMVOHSA-N 398.507 0.891 0 50 GCAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCO[C@]2(CCNC2)C1 2356145974 ZGJGAMCGURXPJP-DWPZYODISA-N 396.491 0.909 0 50 GCAA CCOc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1 1113236 PVCAYAVCXHDGEP-UHFFFAOYSA-N 389.416 0.526 0 50 GCAA CO[C@@H]1CN(C(=O)CSc2nncn2C)CC(=O)N(Cc2ccccc2)C1 14530471 RXVCDRLPZFTHMD-HNNXBMFYSA-N 389.481 0.793 0 50 GCAA Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)NCC(C)C 20661049 OIJHVLBVJGFMHI-UHFFFAOYSA-N 383.514 0.991 0 50 GCAA O=C1CN(Cc2cn(C[C@H]3CCCN(C(=O)c4cccs4)C3)nn2)CCN1 23428902 BKLZRPQJRJIFMD-AWEZNQCLSA-N 388.497 0.824 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3ccccc3OC)nn2)CN1 67910411 LTVAAVXWLCADRW-OCCSQVGLSA-N 386.456 0.601 0 50 GCAA COCc1noc(CNC(=O)C[C@@H]2COCCN2C(=O)N2CCCCC2)n1 72458030 DPJRLMSLPUYWRW-CYBMUJFWSA-N 381.433 0.529 0 50 GCAA CCOC(=O)N1CCC(N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)CC1 77355358 LAKCUJCTSNCOGT-IAGOWNOFSA-N 376.457 0.868 0 50 GCAA O=C1CCc2cc(S(=O)(=O)NCc3cc4n(n3)CCCNC4)ccc2N1 82160426 NQQPPJLRYYVNLZ-UHFFFAOYSA-N 375.454 0.740 0 50 GCAA COc1ccccc1CC(=O)N1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 91792810 ISEDGVWSORSLRL-RTBURBONSA-N 375.513 0.942 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)c1=O 92077535 XRBGFMNSFIMBPQ-UONOGXRCSA-N 375.356 0.082 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCCN1CCCC[C@@H]1CO 97757970 LJLJVMNEGDTAAQ-MRXNPFEDSA-N 376.505 0.113 0 50 GCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 247524897 MRKANEXDUZAURY-CABCVRRESA-N 386.495 0.186 0 50 GCAA Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cn1 252527856 DMSUZFVUESOWEU-FRRDWIJNSA-N 378.458 0.006 0 50 GCAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(O)nc2ccccc2c1=O 368744866 VHKYWSKNBVNTOY-KRWDZBQOSA-N 392.415 0.802 0 50 GCAA biogenic O=C(NCc1c[nH]nc1-c1ccccc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 426376565 TYYWOGYTHXEECN-LSDHHAIUSA-N 375.454 0.357 0 50 GCAA CN(C(=O)NCCc1csc(-c2ncccn2)n1)[C@H]1CCS(=O)(=O)C1 584889376 PAHYZMODUKUNBZ-LBPRGKRZSA-N 381.483 0.971 0 50 GCAA CS(=O)(=O)CCC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670452724 DESVSLWASOZQGY-ZCDLSOSASA-N 377.510 0.105 0 50 GCAA Cc1nc(C)c(C(=O)NC[C@@H]2CCCN(C(=O)CSc3nc(N)n[nH]3)C2)o1 827928358 LAXUTIZEVVQQFW-NSHDSACASA-N 393.473 0.752 0 50 GCAA C[C@@H](NC(=O)C(F)(F)C(=O)N[C@H](C)c1nccc(N)n1)c1nccc(N)n1 864096986 GXMMBDLAWVJRMM-HTQZYQBOSA-N 380.359 0.121 0 50 GCAA O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)cc1)N1CCCC1 908309613 VXWQVOHXJKVPFL-GJZGRUSLSA-N 392.474 0.565 0 50 GCAA O=C(Cn1nc2n(c1=O)CCCCC2)NCC(=O)N1CCc2ccccc2C1 1318322155 KLNRRMOYLVGBHN-UHFFFAOYSA-N 383.452 0.472 0 50 GCAA CNS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857736474 QJFJFEYYTWFLPP-SNVBAGLBSA-N 382.467 0.315 0 50 GCAA Cn1cc(C(=O)N2CCO[C@H](Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326863 POEIINKWAMBAIH-AWEZNQCLSA-N 397.395 0.313 0 50 GCAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)NC[C@@H]2CN(C(N)=O)CCO2)n1 2325757377 ZFODZOXPBGFAFZ-GFCCVEGCSA-N 377.376 0.535 0 50 GCAA CN1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CC1 2356151794 ZNKQYGOUYAXGPU-UHFFFAOYSA-N 382.512 0.891 0 50 GCAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356168127 QVGODCQRVSHMHS-KRWDZBQOSA-N 396.495 0.464 0 50 GCAA O=C(NCCc1nnc2n1CCN(Cc1ccc(O)cc1)CC2)[C@@H]1CCCO1 23130476 ZFJSCXQINBMUON-KRWDZBQOSA-N 385.468 0.880 0 50 GCAA COCCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cnccn1)CC2 77437386 FITVRAFTZLSZLV-UHFFFAOYSA-N 376.438 0.600 0 50 GCAA COCC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 97514346 FDUODPJNJAROBK-OAHLLOKOSA-N 377.441 0.839 0 50 GCAA Cc1ccccc1OC[C@@H](O)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C 100737592 DUBQDZSBIBXDKP-NSHDSACASA-N 376.438 0.471 0 50 GCAA O=C1C[C@@H](C(=O)O)C2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)N1 244647116 GVKQFCMCYLXLCT-ZDUSSCGKSA-N 380.470 0.535 0 50 GCAA CCOc1cccc(CN2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)c1 247527323 NKUSYEUTIXINQB-CVEARBPZSA-N 388.511 0.328 0 50 GCAA Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)CC1 584900437 YVODIBRPWHBZHB-MRXNPFEDSA-N 396.513 0.487 0 50 GCAA COc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1704298303 GOJWDWVFAFTNDT-AAEUAGOBSA-N 376.862 0.985 0 50 GCAA Cc1nc(CNC(=O)[C@@]23CCCN(Cc4cccnc4N)[C@H]2CN(C)CC3)no1 1857671456 SLNUCXPZELWJSF-OXJNMPFZSA-N 399.499 0.958 0 50 GCAA Cc1nc2c(c(=NCCn3ccnn3)[nH]1)CCC21CCN(S(C)(=O)=O)CC1 1857690007 RSKYCRDTYLEBEQ-UHFFFAOYSA-N 391.501 0.150 0 50 GCAA Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1Cl 1857716969 KBMIWLOOGSYJHC-CFVMTHIKSA-N 392.930 0.996 0 50 GCAA Cn1c(N2CC[C@@H](Nc3cc(C(F)(F)F)cc(CO)n3)C2)cc(=O)n(C)c1=O 1875399284 VABPJQQRCDBAFQ-LLVKDONJSA-N 399.373 0.681 0 50 GCAA Cc1cc(OC[C@@H](O)CN(C)C[C@H](O)CNS(=O)(=O)O)ccc1Cl 43146950 XRTCMYWITPFGHC-NEPJUHHUSA-N 382.866 0.073 0 50 GCAA COC(=O)c1cc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)ccc1O 65466340 IUROPEQMXXVZRP-NSHDSACASA-N 399.407 0.862 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCCNCC3)C2=O)c1OC 67805061 HTPMNVCPBZCMCE-HXUWFJFHSA-N 377.485 0.853 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)nn(CCN(C)C)c1=O 67920411 LXTGUTUVTONNQM-CQSZACIVSA-N 375.477 0.678 0 50 GCAA CS(=O)(=O)N1CCN(Cc2cc3n(n2)CCN(Cc2ccoc2)C3)CC1 72156063 HIXSURSPELDOHS-UHFFFAOYSA-N 379.486 0.569 0 50 GCAA CN1C(=O)C2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)c2ccccc21 72164865 KHXUGQHQKSEXTF-UHFFFAOYSA-N 382.420 0.464 0 50 GCAA CS(=O)(=O)c1cnc(N2CCC3(CC2)CNC(=O)C3)nc1[C@H]1CCCNC1 72472936 YBOWQYJTWPNZCK-ZDUSSCGKSA-N 393.513 0.454 0 50 GCAA NC(=O)C1(C(=O)N2CCc3ccc(S(=O)(=O)NC4CCC4)cc3C2)CC1 77459057 CEUQZVXNZWMEFV-UHFFFAOYSA-N 377.466 0.668 0 50 GCAA O=C(c1cn(CCN2CCNCC2)nn1)N1CCC(CCn2cccn2)CC1 77537478 IDUGHUVKPKXPSF-UHFFFAOYSA-N 386.504 0.322 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 95529621 GAOXSOIPSSMTSP-AWEZNQCLSA-N 383.460 0.971 0 50 GCAA CNC(=O)Cc1ccc(NC(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)cc1 97522660 LALOKYIMIPTENO-CQSZACIVSA-N 382.486 0.768 0 50 GCAA Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 97642547 BALPRXTZZNDSMO-AWEZNQCLSA-N 378.454 0.460 0 50 GCAA Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)nc([C@@H](C)N2CCN3C(=O)CC[C@@H]3C2)n1 329448663 LNSKZFDFVRVVFO-BRWVUGGUSA-N 398.511 0.964 0 50 GCAA O=C(CN1CCN([C@@H]2CCOC2)CC1)NCC1(N2CCOCC2)CCCCC1 378402843 WSTJSEWMGYJGQS-LJQANCHMSA-N 394.560 0.544 0 50 GCAA NC(=O)CN1CCC[C@@H](C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)C1 952979406 ILUFYEAARBFMBL-XYPHTWIQSA-N 379.432 0.676 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(C(N)=O)oc2C(C)(C)C)C[C@@H]1O 1529145231 DHWKJUBEUOSYKQ-STQMWFEESA-N 387.502 0.360 0 50 GCAA Cc1nc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)cs1 1565516096 HEDJBDDRPGAICN-OLZOCXBDSA-N 379.467 0.370 0 50 GCAA COc1cc(Cl)ccc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704306242 TXACTBZWKXCPLG-GXFFZTMASA-N 376.862 0.985 0 50 GCAA COCC(=O)N1CCN(C(=O)NC[C@H]2CCCOC2)CCC12CCOCC2 1775962901 UCNOCWVRVMCJJZ-MRXNPFEDSA-N 383.489 0.853 0 50 GCAA Cc1cc(C)n(CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)N)c(=O)n1 1857691838 YTMKGKCNDUFPHZ-HNNXBMFYSA-N 395.467 0.955 0 50 GCAA Cc1nc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)[nH]n2c(=O)c1C 1875251068 USPJBDGOXHWUAQ-LBPRGKRZSA-N 381.396 0.417 0 50 GCAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccccc2F)n(C)c1=O 1875326202 LXYGJBWZZXWEJR-GASCZTMLSA-N 386.427 0.921 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CC(O)(c3cscc3C(=O)OC)C2)CC1 1875386933 FPWCURZHRXETMS-UHFFFAOYSA-N 378.450 0.989 0 50 GCAA NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 2841526 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0 50 GCAA CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1 267544519 QHWXOKOJAAFRCH-ZDUSSCGKSA-N 385.471 0.308 0 50 GCAA Cc1cnc(CN2C[C@H](C(=O)N3CCS(=O)(=O)CC3)[C@@H](C(F)(F)F)C2)o1 888103049 BWOVKBZQWJNAAG-RYUDHWBXSA-N 395.403 0.850 0 50 GCAA O=C([C@H]1COc2ccc(F)cc2C1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1330255563 UWXRJCOIPQELQF-AUUYWEPGSA-N 378.400 0.765 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1O 1529105931 KIYZUPROOZMCPW-WMLDXEAASA-N 379.482 0.811 0 50 GCAA O=C(CN1CCCC1)N1CCCN(C(=O)c2nc(=O)c3ccccc3[nH]2)CC1 1529111935 BMUCFPCYAVOTAJ-UHFFFAOYSA-N 383.452 0.693 0 50 GCAA Cc1nccn1CCC(=O)N1C[C@H]2CN(C(=O)c3cncc(O)c3)C[C@@]2(CO)C1 1772807350 TXSPZSQULYHROG-OXJNMPFZSA-N 399.451 0.275 0 50 GCAA CCOCc1nnc(N2C[C@H](C(=O)NCc3cnn(CC)c3)CC2=O)s1 1857696868 ORDAOPLDLHQEGU-GFCCVEGCSA-N 378.458 0.960 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]12 1875247487 MSAAFLKQSCJUMF-TUAOUCFPSA-N 377.388 0.900 0 50 GCAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNS(=O)(=O)CC3)n2)n1 1875299717 UDKUZZXUAIPENY-UHFFFAOYSA-N 383.861 0.913 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1NC(=O)c1cn[nH]c1 2100545121 HIOWQLGNPLHWTQ-IACUBPJLSA-N 375.433 0.538 0 50 GCAA Cc1cc(S(=O)(=O)N2CC(=O)N(C)[C@@H]3C[C@@H]32)cc2c1N(C)C(=O)C2(C)C 2325784076 ZRVBDVYSWIFTRJ-KGLIPLIRSA-N 377.466 0.853 0 50 GCAA CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325819033 OKSVJUULZHAESX-RYUDHWBXSA-N 392.886 0.536 0 50 GCAA OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@H]1O 3861779 NLRXQZJJCPRATR-LYYZXLFJSA-N 385.210 0.781 0 50 GCAA in-vitro COCCN1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)CC1 11842321 DDUFVPGPQVGDGJ-INIZCTEOSA-N 380.514 0.229 0 50 GCAA CCCn1ncc(-c2ccnc(N3CCN(S(=O)(=O)N(C)C)CC3)n2)c1C 19788943 FMGYWCDFGADQJL-UHFFFAOYSA-N 393.517 0.987 0 50 GCAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3cccs3)no2)C1 67613417 MANDQJLKAZKGEC-LLVKDONJSA-N 399.498 0.933 0 50 GCAA COc1coc(C(=O)N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1=O 72481144 FTPLAZRHNBQKDZ-LBPRGKRZSA-N 375.429 0.858 0 50 GCAA O=C(CN1CCOCC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 77437238 NRYLXOBKDGIOSL-DOTOQJQBSA-N 375.473 0.124 0 50 GCAA CC(C)Cc1cc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)[nH]n1 221395085 YXVHAKCJSPTJTR-KRWDZBQOSA-N 381.502 0.899 0 50 GCAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1ccccc1)C2 221432047 HEYURQKJWXOFSJ-QGZVFWFLSA-N 377.466 0.936 0 50 GCAA O=C(NCCC1CCN(C2CCCC2)CC1)c1cc2n(n1)C[C@@H](O)CNC2=O 252483361 DZPMJYXXJCIVFQ-INIZCTEOSA-N 389.500 0.762 0 50 GCAA C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(OCC2CC2)nc1 283056266 DPZUUILGHLLKLV-BBRMVZONSA-N 377.441 0.485 0 50 GCAA CN(CC(=O)N1CCN=C1O)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 328655637 YPAKDWVZJHVGAT-STQMWFEESA-N 379.440 0.147 0 50 GCAA NS(=O)(=O)N1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 426403808 VQNDDBDTWQNMKL-UHFFFAOYSA-N 377.426 0.575 0 50 GCAA CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 427532368 YFLOPUCCEMAMOZ-CYBMUJFWSA-N 380.470 0.693 0 50 GCAA Cc1nccn1CC(=O)N1CCC[C@H](CNC(=O)Cn2nc3ccccc3n2)C1 952980725 AKLRLCSSQYSLDS-MRXNPFEDSA-N 395.467 0.991 0 50 GCAA Cc1cc(=O)n(CCN2CCC[C@@H](CNC(=O)Cc3cccnc3)C2)c(O)n1 1506421006 SENVIFRSDDPOND-KRWDZBQOSA-N 385.468 0.723 0 50 GCAA Cn1ccnc1CN1C[C@@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@]2(CO)C1 1772815630 XFAIOIJECYZYRF-IERDGZPVSA-N 392.463 0.930 0 50 GCAA Cc1nnc(N2C[C@@H](C(=O)NCc3nc(-c4ccccn4)no3)CC2=O)s1 1857730493 ULNBTKWSDGDRAT-JTQLQIEISA-N 385.409 0.961 0 50 GCAA Cc1nc2cc(N3C[C@H](C(=O)N[C@@H]4CCC(=O)NC4=O)CC3=O)ccc2s1 1857798172 SEGYIBNFIADCDG-ZYHUDNBSSA-N 386.433 0.879 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2cc3n(c2)CCOC3)ncn1 1875401039 RCGCWTNBBNMNDD-GDBMZVCRSA-N 386.456 0.244 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCc2nnc(C)s2)C[C@H]1NS(C)(=O)=O 2100545575 XOJOUKGXXAOXRW-QJPTWQEYSA-N 376.504 0.238 0 50 GCAA CCN1CC[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(F)(F)C1 2325781347 HJKJEVFAHFPCOD-ZDUSSCGKSA-N 387.408 0.677 0 50 GCAA O=C1CC[C@@H](N2Cc3c(C(=O)NCc4cccc(F)n4)cccc3C2=O)C(=O)N1 2325895585 DPCYJAPAJANYIJ-OAHLLOKOSA-N 396.378 0.912 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)c(F)c1 14981080 DFXYUTJCADOZJR-INIZCTEOSA-N 381.448 0.660 0 50 GCAA O=C1CN(c2nc3nonc3nc2N2CCOCC2)CCN1c1ccccc1 15065972 WHMACBMUNIUHMH-UHFFFAOYSA-N 381.396 0.703 0 50 GCAA Cc1ccc(-n2nc(C(=O)N3C[C@H]4C[C@H](O)[C@@H](O)C[C@H]4C3)c(O)cc2=O)cc1 71776354 FSGZPKIYDXRGAG-XRGAULLZSA-N 385.420 0.450 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCN(C)CC3)[C@@H]4C2=O)c1 77355706 MXQGGJVTFUUFGK-VWNVYAMZSA-N 397.475 0.751 0 50 GCAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)CCN)CC2 77504921 JMBPMCSZJUUKLK-INIZCTEOSA-N 381.498 0.720 0 50 GCAA Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)o1 95352166 SGMNLEYIEVGZLN-UHFFFAOYSA-N 391.449 0.681 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)CN1C(=O)CSC 96149390 XGWSMHHAPWZHLX-FZMZJTMJSA-N 379.486 0.486 0 50 GCAA COCc1noc(C[C@H]2CN(C(=O)Cc3cn4ccsc4n3)CCO2)n1 97307149 RUYCLSCQOLLURL-LBPRGKRZSA-N 377.426 0.938 0 50 GCAA O=C(CSCCN1CCCC1)N1CCN(c2ccnc3nncn23)CC1 221158512 ZTGIVISDOULABI-UHFFFAOYSA-N 375.502 0.602 0 50 GCAA COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1 225442019 ZBLRSPAXBQCGAL-KBXCAEBGSA-N 398.481 0.631 0 50 GCAA O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NS(=O)(=O)CCC(F)(F)F 225474248 PYSUFFBFBVAEIR-UHFFFAOYSA-N 393.343 0.478 0 50 GCAA COC[C@@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 225856037 RUROHNNKJPYUOF-SECBINFHSA-N 398.890 0.678 0 50 GCAA COCCn1c(CN2CCC(N3CCOCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244678701 IINITOVRWLWGRP-IYBDPMFKSA-N 378.521 0.426 0 50 GCAA CCCCn1c(O)nc(=O)c2c1nc(CN1C(=O)[C@@H]3CSCN3C1=O)n2C 253630080 DYBUUNASTUXLGM-VIFPVBQESA-N 392.441 0.473 0 50 GCAA Cn1ccc2c(NC(=O)C(=O)N3CCO[C@@]4(CCCOC4)C3)cccc2c1=O 408159523 QEQLHEUYYAJANE-FQEVSTJZSA-N 385.420 0.885 0 50 GCAA O=S(=O)(Cc1ccon1)N1CCN(C[C@@H](O)COCC(F)(F)F)CC1 431123412 YFDGEKBVOXASED-GFCCVEGCSA-N 387.380 0.062 0 50 GCAA CN1CCN(CCNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)C1=O 1772818580 HHOCMJCOXZVLNR-CYBMUJFWSA-N 393.513 0.568 0 50 GCAA COCCC(=O)N1CCN([C@H]2CCCN(C(=O)c3ccncc3C)C2)C(=O)C1 1775990248 WMRDUYFDKKJJJF-INIZCTEOSA-N 388.468 0.702 0 50 GCAA CN1CCn2nc(-c3nc(CC(N)=O)nn3-c3ccc(Cl)cc3)cc2C1=O 1857668016 YKOSESKCDATVKL-UHFFFAOYSA-N 385.815 0.898 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cncn(C)c2=O)N1Cc1ccccc1 1875396353 CROXQTFQBLCOFC-QRWLVFNGSA-N 386.452 0.162 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2nccn2C)cc1OC 2100482706 RXUZCCZKRAQLQI-MSOLQXFVSA-N 388.424 0.352 0 50 GCAA COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)Cc3cccc(O)c3)C2)C1 2100543152 NALISXCDDBUEMT-AZGDMVHKSA-N 390.436 0.258 0 50 GCAA C[C@](O)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nn1)C1CCC1 2325829750 RBHZSQBBVOLOTF-XMDUPGNXSA-N 389.456 0.216 0 50 GCAA CCc1nn(C)c(C(N)=O)c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 2325841382 RLSVTJIOOANBBX-UHFFFAOYSA-N 376.402 0.062 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4C(=O)O)ccc3C2=O)C(=O)N1 2325896353 WTHYQAAATLCXKQ-LSDHHAIUSA-N 399.403 0.527 0 50 GCAA CCCCc1nn(CC(=O)NCc2noc([C@H]3CCCO3)n2)c(=O)n1CC 77298649 OWAOKNWEMDNTBG-GFCCVEGCSA-N 378.433 0.958 0 50 GCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 77437657 UMHZAZHDAJWFBZ-UONOGXRCSA-N 390.458 0.017 0 50 GCAA CCc1nc2c(N3C[C@H](CO)[C@H](CN4CCC(CO)CC4)C3)ncnc2o1 91829346 NWCXFHLKZAXTNR-HUUCEWRRSA-N 375.473 0.929 0 50 GCAA COc1ccccc1CNC(=O)CN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1 95374619 NPEWWJIPMYEPKJ-OAQYLSRUSA-N 388.512 0.940 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101931576 MLGQBKYRTAGSPE-DPDCMNJDSA-N 389.433 0.470 0 50 GCAA 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 238923541 ORPWLMJRWWIUFM-CDYMVBJSSA-N 389.433 0.468 0 50 GCAA 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 239338958 LMHHPCYJUBLDJT-NOEAPNPUSA-N 391.225 0.881 0 50 GCAA O=C(Nc1ccc(N2CCOCC2)c2nonc12)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239402930 RHORPQSFVXSMJQ-SYQHCUMBSA-N 388.380 0.876 0 50 GCAA O=C(CN1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1)Nc1nncs1 275981725 OFILYYUBKUDPHC-ZDUSSCGKSA-N 391.501 0.912 0 50 GCAA Cc1ccnc2nc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nn12 298766823 CNCADWSADUEVOV-UHFFFAOYSA-N 397.414 0.968 0 50 GCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 333893214 HJIRYJARKHPKLX-SMDDNHRTSA-N 395.886 0.925 0 50 GCAA COCc1noc(CN2CCN(C(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@H]3[C@H]5C4)CC2)n1 868904978 ANLHEPZLYBHMLI-DCRFOKDXSA-N 377.445 0.467 0 50 GCAA Cc1nonc1OCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529134135 XOYLPJAGUZYFCV-KGLIPLIRSA-N 380.788 0.783 0 50 GCAA COCCc1noc(CN2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)n1 1565514590 PASYJGXPMDKEQV-OLZOCXBDSA-N 375.495 0.111 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C[C@@H]1O 1615733638 LLMCUSUKJMKMPU-SJORKVTESA-N 398.525 0.714 0 50 GCAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@]2(CO)C1 1772812407 IFRGEQTWAAPKNO-WMLDXEAASA-N 385.461 0.717 0 50 GCAA COc1cccc2c1OCC(CN1CCCN(C(=O)Cn3cnnn3)CC1)=C2 1775980895 KRNPYFUCRDDWEY-UHFFFAOYSA-N 384.440 0.692 0 50 GCAA O=S1(=O)CC[C@H](S(=O)(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)C1 1857686023 FFHKMQJYXOBYSB-VVLHAWIVSA-N 399.538 0.399 0 50 GCAA O=C(c1cccc(O)n1)N1CC[C@@]2(C1)Cn1c(nnc1Cn1cccn1)CO2 1857688643 UVFIUWMARNSUFB-GOSISDBHSA-N 381.396 0.439 0 50 GCAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(CO)CO)C[C@]34CC[C@H]2O4)cc1 1857724381 AHMIAUWWLSDUOC-JRBPQWBISA-N 376.453 0.258 0 50 GCAA COC(=O)c1cncc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1 1857737907 IRTBIFUJIDMSBX-IRXDYDNUSA-N 387.440 0.746 0 50 GCAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nnc3ccccn23)CC[C@H]1NC(=O)CO 2100547887 QLPOHUXACWYNJH-RRFJBIMHSA-N 389.456 0.418 0 50 GCAA COCCCn1ccc(=NC(=O)NCCS(=O)(=O)NC2CCCCC2)[nH]1 2325734115 RXSDWSYTDGZLRT-UHFFFAOYSA-N 387.506 0.715 0 50 GCAA Cc1nnc(N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)s1 2867248 ISDGFKAAPMVOCT-NSHDSACASA-N 376.320 0.066 0 50 GCAA NS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1 3056491 DNHVAKIOEMRDIS-UHFFFAOYSA-N 384.464 0.817 0 50 GCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCC(=O)OC 11879609 BWILADGAKZPXIR-INIZCTEOSA-N 391.468 0.845 0 50 GCAA COCCN1CCC[C@@](O)(CN2CCC(c3nnc4ccccn34)CC2)C1=O 67850206 UOCVXGHIUWZRSN-HXUWFJFHSA-N 387.484 0.909 0 50 GCAA COc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)c(OC)c1OC 72151766 RDGUXENAPDIVRS-CQSZACIVSA-N 377.441 0.749 0 50 GCAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91846977 BPZWAOWPRPKXCG-SJORKVTESA-N 384.436 0.903 0 50 GCAA Cc1cccc2nc(Cn3ncc(N4CCC(CN)CC4)cc3=O)cc(=O)n12 95382018 OYICMLRFZZRJJB-UHFFFAOYSA-N 380.452 0.783 0 50 GCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2CCN(C(C)C)CC2)C1 244691693 JHLFJFPJPFZNLB-IYBDPMFKSA-N 379.505 0.899 0 50 GCAA CCn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)C1=O 332761990 VAIXIWMGQYHYIE-ZIAGYGMSSA-N 394.497 0.730 0 50 GCAA CC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 426389924 TVBSUNGNMTZZCR-UHFFFAOYSA-N 394.439 0.787 0 50 GCAA O=C(NCc1csc(-c2cnccn2)n1)c1cn(CCN2CCNCC2)nn1 828222726 PHHLTIYOUVKRSH-UHFFFAOYSA-N 399.484 0.027 0 50 GCAA COC[C@@H]1CN(c2ncnc3c2ncn3CC2(CO)CCOCC2)C[C@H](C)O1 888097895 SGBLWLPBEJWZLF-GJZGRUSLSA-N 391.472 0.856 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc3ccccc3n(C)c2=O)C[C@H]1O 1529099394 WPRHVJJOIJYXSB-DOTOQJQBSA-N 379.482 0.223 0 50 GCAA O=C(c1cc(O)nc2ccc(F)cc12)N1CC[C@H](N2CCOCC2)[C@@H](O)C1 1565511967 ODEMXVDNDOQRSN-IRXDYDNUSA-N 375.400 0.987 0 50 GCAA CN(C)CC(=O)N[C@H]1CC[C@@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 1857679568 NCVAVDHYOCNQGM-CABCVRRESA-N 381.498 0.348 0 50 GCAA CC[C@]1(C(=O)N2CCC3(CC2)CN(C)CCO3)C[C@H]2CC[C@@H]1N2S(C)(=O)=O 1857711456 ASQNMBOZLHQOHM-GJYPPUQNSA-N 399.557 0.902 0 50 GCAA Cc1nc(CCNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3cccn3C3CC3)C2)no1 1875244177 CERXZKVWHRHYFD-NOLJZWGESA-N 387.440 0.743 0 50 GCAA CC(=O)NCC12CC(C(=O)NCc3ccn4ccnc4c3)(C1)C1(CCNCC1)O2 1875392932 ADJWNDZNVXCXOK-UHFFFAOYSA-N 397.479 0.758 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NC[C@@H]4CCCCCN4)ccc3C2=O)C(=O)N1 2325895564 DGVOPAIZONGUBI-RDJZCZTQSA-N 398.463 0.710 0 50 GCAA N=c1ccnc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnc3ccccn3c2=O)[nH]1 2356165978 RYSPUGVZDJEYSD-KBPBESRZSA-N 377.408 0.390 0 50 GCAA O=c1c2cc3c(=O)n(C[C@@H]4CCCO4)c(=O)c3cc2c(=O)n1C[C@@H]1CCCO1 1075487 KYCNNXOMFXBVGL-RYUDHWBXSA-N 384.388 0.270 0 50 GCAA CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccccc1 4855293 WGUZRLQBPJBRMH-AWEZNQCLSA-N 377.466 0.772 0 50 GCAA CCn1c(C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)n[nH]c1=O 65509293 AUJMUUXYJXKDSB-UHFFFAOYSA-N 382.424 0.707 0 50 GCAA CCNC(=O)N1CCC[C@](O)(CNS(=O)(=O)c2cnn(CC)c2C)CC1 72143508 DDWHPWXZBALZHU-MRXNPFEDSA-N 387.506 0.436 0 50 GCAA CN1CCN([C@H]2CCN(C(=O)Cc3ccc(CO)cc3)C[C@H]2CCCO)CC1 91644342 FJKLUPRQPBSYAT-RTWAWAEBSA-N 389.540 0.958 0 50 GCAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)n(C)n1 95353343 YFWYHDCYAKERPA-CQSZACIVSA-N 378.454 0.726 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1Cc1ccc(OCCN(C)C)cc1 95355010 WZSNJWFHZKFROR-HKUYNNGSSA-N 376.501 0.842 0 50 GCAA CCCSc1ncc([C@@H]2N[C@](C)(C(=O)OC)[C@@H]3C(=O)N(C)C(=O)[C@H]23)cn1 210153537 ZWISQINVEMWVLV-UWCDFFNFSA-N 378.454 0.786 0 50 GCAA COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC)cc1 239434058 YYAVVEHWOUBCRK-DEXNDLTESA-N 378.377 0.859 0 50 GCAA biogenic O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15CCS(=O)(=O)CC[C@@]35[C@H]42 247302513 FGRJPSMYCYTGIC-LKAPLBJNSA-N 397.456 0.597 0 50 GCAA Cc1cc(C)nc(CN2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)n1 247907778 KJGZHIPSAFLWQG-SJORKVTESA-N 375.473 0.821 0 50 GCAA C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCNC(=O)c1ccn[nH]1 248409768 GFZZGKGLOWAGEE-GDBMZVCRSA-N 385.472 0.744 0 50 GCAA C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 274471791 LITHFBSRSFWJIB-MRVPVSSYSA-N 378.809 0.560 0 50 GCAA CCN(CC)C(=O)c1sc2ncn(CCS(=O)(=O)NC)c(=O)c2c1C 584889846 SJOMMOFXZQKJAK-UHFFFAOYSA-N 386.499 0.798 0 50 GCAA COc1ccc(CC(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1OC 1704335806 GXFDRMNWUOWXHH-GJZGRUSLSA-N 378.425 0.490 0 50 GCAA Cc1nnnn1-c1ccc(CC(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1704353431 XCNJMCISFVIQIF-CRAIPNDOSA-N 379.424 0.365 0 50 GCAA CN(C)C(=O)CN1CCOC2(CCN(CCCn3cccn3)CC2)CC1=O 1857684629 VULWDXKFCISGSE-UHFFFAOYSA-N 377.489 0.445 0 50 GCAA CC(C)C[C@@H]1[C@H](C(=O)NCCc2cnc[nH]2)C[C@@H]2CN(CC(=O)O)CC(=O)N21 1857686622 DZCVLCPWLMTJAO-BZUAXINKSA-N 391.472 0.100 0 50 GCAA CC(C)C[C@@H]1[C@H](C(=O)NCc2cscn2)C[C@@H]2CN(CCO)CC(=O)N21 1857704901 KEHNPLLYCMYGHR-BZUAXINKSA-N 380.514 0.699 0 50 GCAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)c2c(O)nc(=O)n(C)c2n1 1857712902 WPJBKTUBFPZFTJ-UKRRQHHQSA-N 395.419 0.413 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2SC1 6318110 PQIJLDPZHHQMJA-LRDDRELGSA-N 394.380 0.741 0 50 GCAA CCCCN(CCCC)CCNC(=O)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C 13153099 CAIYWSJGKRKTDN-UHFFFAOYSA-N 392.504 0.521 0 50 GCAA C[C@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)c1ccn(C)n1)c1ccn(C)n1 20617609 JGXAFHSBFOUBKS-NWDGAFQWSA-N 384.444 0.869 0 50 GCAA CC[C@@]1(C(=O)O)C[C@H](C(=O)NC(CO)CO)[C@H](c2ccc(OC)cc2)N1C 67692015 YFMYDZKYSAYCOH-BXWFABGCSA-N 380.441 0.391 0 50 GCAA COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 72119109 RQCOTHYXELVASB-UHFFFAOYSA-N 385.486 0.709 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)NCc1noc(-c2ccccc2)n1 95370414 UDNFAXJMCFTRDW-UHFFFAOYSA-N 379.424 0.965 0 50 GCAA O=C(c1cccc(S(=O)(=O)NC[C@@]2(O)CCNC2)c1)N1CCCCCC1 95377779 YHMMPIUBUDTELJ-GOSISDBHSA-N 381.498 0.706 0 50 GCAA Cn1cc(S(=O)(=O)NC[C@H]2CCOc3ccccc3C2)c(=O)n(C)c1=O 97654030 MFBZOVZMIRPVQV-LBPRGKRZSA-N 379.438 0.004 0 50 GCAA CN(CC(=O)O)c1ncc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C)C3)cn1 106956402 KJTAWWCURBMSFY-AWEZNQCLSA-N 377.445 0.368 0 50 GCAA O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 188512377 NYXNLIAUDBWNIH-UHFFFAOYSA-N 375.379 0.932 0 50 GCAA NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)c(Br)c1 193686412 SNBNPALVZHJRKL-NSHDSACASA-N 385.262 0.597 0 50 GCAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(CC(=O)NCCc1ccccc1)C2 222661392 OOWHWSQWVMZZPX-FQEVSTJZSA-N 394.479 0.873 0 50 GCAA CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](C(=O)O)C2)ccc1F 274967230 BXWMPHHJWVSXCJ-WDEREUQCSA-N 388.373 0.580 0 50 GCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 328608301 ABEUEFCUSYEIIG-ZDUSSCGKSA-N 375.838 0.610 0 50 GCAA CC(C)[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 332762399 WGBFDVIWJQJQKV-NVXWUHKLSA-N 394.493 0.947 0 50 GCAA O=C(CN1CCN(c2nccc(N[C@@H]3CCCOC3)n2)CC1)N1CCCCC1 435343623 OYIHQYARTQPCPE-QGZVFWFLSA-N 388.516 1.202 0 50 GCAA Nc1nc(-c2cccc(C(=O)N3CCc4n[nH]cc4C3)c2)cc(=NCCO)[nH]1 534652180 SGSOYOWHTPTUJU-UHFFFAOYSA-N 379.424 0.474 0 50 GCAA O=C(NCC1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccco1 952980003 VOUOVXVWEVEJLZ-CYBMUJFWSA-N 390.483 0.238 0 50 GCAA CN1CCN(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529095708 UKKNVJAIACOOAG-SJORKVTESA-N 380.876 0.260 0 50 GCAA CCc1nc(CN2CCN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)no1 1565508561 ICYRQUKOQZWJMZ-LSDHHAIUSA-N 377.470 0.510 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704298962 MCKVYABVQRHMBV-CJNGLKHVSA-N 391.449 0.413 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@@H]1O 1704304860 IYLCDAFOVWMGFY-JSGCOSHPSA-N 397.522 0.940 0 50 GCAA COc1ccc2[nH]c(C(=O)N3C[C@H]4[C@H](N(C)C)CS(=O)(=O)[C@H]4C3)cc2c1 1857698958 CEXCTZYXNLBWPZ-XKQJLSEDSA-N 377.466 0.976 0 50 GCAA Cc1nc[nH]c1-c1nnc2n1C[C@@]1(CCN(C(=O)c3cccnc3O)C1)OC2 1857704777 FRDFOLJNLKPLQM-SFHVURJKSA-N 381.396 0.892 0 50 GCAA O=C(Cc1cccc(F)c1)N[C@@H]1C[C@@H](C(=O)N2CCC(O)CC2)CC[C@H]1O 2356152647 TYYOWRPLSWDQNT-BMGDILEWSA-N 378.444 0.997 0 50 GCAA O=C(C[C@@H]1CNCCO1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67741374 DLLXOJQJCCPVLQ-QGZVFWFLSA-N 385.468 0.704 0 50 GCAA Cn1ccc(C(=O)N2CCN(C(=O)C3CCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 82146063 ZPJZVYKUBHXXMI-CABCVRRESA-N 380.470 0.060 0 50 GCAA CC(C)N(C)Cc1nnnn1CC(=O)NCc1nncn1C1CCCCC1 95511742 MCCILDLKODAJGF-UHFFFAOYSA-N 375.481 0.926 0 50 GCAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N3CCOCC3)C2=O)cc1 206245575 HRNFEEOJIFPBSF-MRXNPFEDSA-N 375.425 0.797 0 50 GCAA CCn1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NCCOC)n1 239184747 QWWCLSHJQWSNQJ-FVCCEPFGSA-N 380.401 0.096 0 50 GCAA NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](O)c2cc3ccccc3s2)C1 830021272 HSEFUQHPRJPMHI-STQMWFEESA-N 383.495 0.966 0 50 GCAA CC1(C)COCCN1C(=O)c1cnc(C2CCN([C@@H]3CCNC3=O)CC2)o1 888103320 VMRSZRKZZNXVID-CQSZACIVSA-N 376.457 0.994 0 50 GCAA CCn1cnnc1CCNC(=O)[C@@H]1CC(=O)N(c2nnc(COC)s2)C1 1857726740 DHBCAZTXMGUHFS-SNVBAGLBSA-N 379.446 0.008 0 50 GCAA CC(=O)N1CC2(C1)[C@H](C(=O)N1CC(C)(c3ccccc3)C1)CCS2(=O)=O 1875396135 WRLQVCIEJPIORJ-INIZCTEOSA-N 376.478 0.822 0 50 GCAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1C[C@H](C(=O)NCc2ncc[nH]2)C[C@@H]1O 1940197807 SJQPLDNRHHOTIG-IHRRRGAJSA-N 386.408 0.253 0 50 GCAA O=C(C1=NN2CCCN=C2N1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2325769205 WTAPGYSZVOSGIH-UHFFFAOYSA-N 376.411 0.945 0 50 GCAA CCn1cc(C(=O)N2CC(C)(N)C2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325778864 TULUWZCLLOVIMI-UHFFFAOYSA-N 387.459 0.743 0 50 GCAA CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)[C@@H]2CC=CCC2)C1 2332237748 KEIUVMQTIDUZDD-IBEHDNSVSA-N 384.498 0.508 0 50 GCAA COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 6182039 KDOJWCREPKVPTD-UHFFFAOYSA-N 383.470 0.890 0 50 GCAA CNC(=O)C(=O)NCCN1CCN(C(=O)c2ccccc2Br)CC1 19831103 RJMVKBRKOCEGML-UHFFFAOYSA-N 397.273 0.069 0 50 GCAA Cc1nnc(SCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)s1 55211695 JCHATHMZAPSHMB-UHFFFAOYSA-N 383.543 0.951 0 50 GCAA CCCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1 72119214 KTAQNMSRXMVYHM-UHFFFAOYSA-N 382.534 0.480 0 50 GCAA O=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCC[C@@H](O)C2)CC1 72150227 NOTDKBSWXZHZKG-QGZVFWFLSA-N 375.473 0.375 0 50 GCAA Cc1csc(CCCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)n1 91547895 ZEDMRXRBZQQGSB-HUUCEWRRSA-N 380.514 0.585 0 50 GCAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)C(=O)c1cccn1C)CC2 92028084 YVZRMMMUBMCIQP-CYBMUJFWSA-N 375.425 0.912 0 50 GCAA Cc1nnc([C@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)o1 95360160 ZSIFXOULUBLFOT-NSHDSACASA-N 380.426 0.890 0 50 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383.452 0.899 0 50 GCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c(s1)CCOC21CCNCC1 2356152893 GGUHYRYDVOLDKM-YPMHNXCESA-N 380.466 0.648 0 50 GCAA CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 20513330 ZIKSWFXZCRWCDD-UHFFFAOYSA-N 396.495 0.771 0 50 GCAA O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O 35931662 AQLVRTWKJDTWQQ-SDBHATRESA-N 380.361 0.008 0 50 GCAA investigational COCCn1c(CN2CCN(C)C(=O)[C@@H]2C)cnc1S(=O)(=O)CC1CC1 55153583 HOKFLZQGQYNKKJ-ZDUSSCGKSA-N 384.502 0.376 0 50 GCAA CC(=O)N[C@@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 71416137 JGOMVIBXZMLUSR-KRWDZBQOSA-N 383.452 0.591 0 50 GCAA CCn1cnnc1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 72131992 ZWNPADKMBSVSAI-INIZCTEOSA-N 388.447 0.487 0 50 GCAA O=C(CCn1cnnn1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91304673 DEOPTVMHGJIGJO-UHFFFAOYSA-N 397.483 0.932 0 50 GCAA CCN1CCN(C(=O)CCC2CCN(S(=O)(=O)c3cn[nH]c3)CC2)CC1 95530272 XFHNTYMAKILGCG-UHFFFAOYSA-N 383.518 0.755 0 50 GCAA Cn1ncnc1[C@H]1C2=c3c(cc(F)cc3=N[C@@H]1c1ccc(F)cc1)C(=O)NN2 138126699 IUEWAGVJRJORLA-HZPDHXFCSA-N 380.358 0.608 0 50 GCAA in-vitro CS(=O)(=O)N1C[C@@H]2CN(CCc3c[nH]c4ccccc34)C[C@]2(C(=O)O)C1 247538523 RJCBPOPZECLAIE-KSSFIOAISA-N 377.466 0.988 0 50 GCAA COCc1cc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)no1 363173153 YTTYQTUNRSXFQN-TXEJJXNPSA-N 377.401 0.906 0 50 GCAA C[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 780126266 PEPRQYHVEOEYCI-GDBMZVCRSA-N 398.481 0.439 0 50 GCAA Cc1cc(=O)n(CCN2CCOC3(CCN(Cc4cnc[nH]4)CC3)C2)c(O)n1 825119500 HSSQTFGBAWPAJQ-UHFFFAOYSA-N 388.472 0.347 0 50 GCAA C[C@@H](Cc1cccs1)C(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1 886031767 SWVHYPBVVIFBHY-ZFWWWQNUSA-N 390.509 0.715 0 50 GCAA CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](n3cc(C(=O)O)nn3)CN2)c1C 952974824 FRGVDZVDAPYXNB-FZMZJTMJSA-N 386.412 0.576 0 50 GCAA O=C(NCc1ncc2c(n1)CCC2)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1347128567 KILPXQOZMLCYJO-YJBOKZPZSA-N 398.438 0.925 0 50 GCAA COCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CC[C@@H](O)C3)cc12 1857683707 ZMQNKAIAZHUMTM-CYBMUJFWSA-N 394.493 0.992 0 50 GCAA NCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NC[C@H]3CCOC3)sc12 1857695032 QQMWOVGHFNSJMX-CYBMUJFWSA-N 393.509 0.864 0 50 GCAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3nonc3C)[C@@H]2c2ccccc2)C1 1857700385 BEZOVVACQUBVDZ-BXWFABGCSA-N 397.435 0.815 0 50 GCAA C[C@H]1CN2C[C@H](NC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)N)C[C@H]2CO1 1857734803 SGALISRIIZGSTL-DIECFANBSA-N 384.484 0.943 0 50 GCAA COCCN(Cc1ccccc1)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(C)=O)C2 1875393830 UVBWYJUIGSBMPQ-KRWDZBQOSA-N 394.493 0.697 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)Cc2nnc(C)o2)cc1OC 2100537613 RUXCZXUJIVKXIG-SJORKVTESA-N 390.396 0.610 0 50 GCAA C[S@@](=O)(=NC(=O)C1=COCCO1)c1cnn2c1CN(c1ncns1)CC2 2325784768 IIPPAOSVRCELBK-SANMLTNESA-N 396.454 0.626 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)NC4(C(=O)O)CCCC4)ccc3C2=O)C(=O)N1 2325895633 FSXNYJUNKDAYIH-AWEZNQCLSA-N 399.403 0.575 0 50 GCAA O=C(NCC1(O)CCOCC1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356144182 MENFWYPRUNGKSZ-NVAPDCRFSA-N 385.464 0.976 0 50 GCAA Cn1[nH]c(C(=O)N2CCC[C@]23CCCN(CCc2ccccc2)C3=O)nc1=O 2356159387 YITSWKNKRIGJLP-FQEVSTJZSA-N 383.452 0.948 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCn2cncn2)C[C@H]1NC(=O)c1cccc(O)c1 2356167021 RLRCONDYEGPRGT-USXIJHARSA-N 387.440 0.714 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnn(C)c2)cc1 14952074 TUNVLRSUBPQUCY-SFHVURJKSA-N 385.468 0.826 0 50 GCAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC(=O)OC)cc2)CC1 15067699 WZKQLQBRDHMTHB-UHFFFAOYSA-N 378.425 0.996 0 50 GCAA CCN(CC)[C@@H]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 19229242 MQRNGIQBRZBOHH-MRXNPFEDSA-N 379.509 0.228 0 50 GCAA Cn1ncc(N2CCO[C@H](CCNC(=O)CN3CCCCCC3)C2)cc1=O 23505481 WMANEPFZCRTADW-QGZVFWFLSA-N 377.489 0.368 0 50 GCAA CCOC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cn2nc(C)cc2N)CC1 72428368 ZPRLWWYNZPKEAY-CABCVRRESA-N 378.477 0.631 0 50 GCAA CCn1nc(C(C)C)cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 75723896 QESJPJGBOAEDKG-UHFFFAOYSA-N 377.489 0.643 0 50 GCAA CCc1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc(=O)[nH]1 91254908 OZEWFJYKXKRKOD-FQEVSTJZSA-N 377.485 0.873 0 50 GCAA O=C1NC[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)N1 91831033 VFNLWMHJHJIRQP-AWEZNQCLSA-N 386.456 0.094 0 50 GCAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cnc(Cn2cncn2)nc1O 91848817 PDYDUUHZTCCYEG-UHFFFAOYSA-N 390.407 0.980 0 50 GCAA CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CC2(CCNCC2)OC1=O 95524859 VAYORBZQFXGTFO-CQSZACIVSA-N 375.425 0.859 0 50 GCAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)Cn1nc(C)c3ccccc3c1=O)CC2 216006530 NLOMGRWCEVXGFC-UHFFFAOYSA-N 379.420 0.724 0 50 GCAA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)Cn2ccccc2=O)C3)cc1 220280659 LDAQLPUSPRIXCD-UHFFFAOYSA-N 377.404 0.922 0 50 GCAA CC1(C)NC(=O)N(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)C1=O 220427291 WQRNKYSDBYWGBK-KVULBXGLSA-N 387.436 0.880 0 50 GCAA COc1ccccc1CNC(=O)CN1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 247515404 JPIHEZJMCAAFSP-HOCLYGCPSA-N 381.498 0.667 0 50 GCAA COC(=O)CC[C@H]1NC(=O)N(c2ccc(O[C@@H]3CCN(C)C3=O)cc2C)C1=O 285943807 IDXGJMJUKMBHTG-UKRRQHHQSA-N 389.408 0.983 0 50 GCAA CCOC(=O)CN1CCCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 377488703 SBYVXEHBKSQEES-UHFFFAOYSA-N 382.442 0.528 0 50 GCAA COCCc1noc(CNC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)n1 584899938 DELZUOHFWRCBNN-GFCCVEGCSA-N 376.417 0.797 0 50 GCAA Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)no1 1506419884 LEIJXUBXBJNEOC-CYBMUJFWSA-N 381.458 0.856 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)NCc3noc(CCOC)n3)CC2=O)s1 1857738836 ARRGSNLLUSJLJK-JTQLQIEISA-N 394.457 0.732 0 50 GCAA COC1(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)CCNCC1 1875245624 ITLFGBWCZIDSFJ-HKUYNNGSSA-N 380.460 0.709 0 50 GCAA CCOC(=O)[C@H]1CCCN(c2ncnc3c2ncn3CC2(CO)COC2)C1 1875269190 LSPOEQPYTCLGSL-ZDUSSCGKSA-N 375.429 0.615 0 50 GCAA CC(C)[C@H](O)Cc1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355953 HZNYVYSKYFAYHP-DLBZAZTESA-N 397.435 0.588 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)NCC2=Nc3ccccc3S(=O)(=O)N2)C1 1875371814 MQJMUEQMCSLSGK-LBPRGKRZSA-N 376.438 0.549 0 50 GCAA CN1C[C@@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)Cn1ncc3ccccc31)C2 1875393946 VNKFYBWOCYZKDL-HNNXBMFYSA-N 377.452 0.797 0 50 GCAA COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cccc(C)n3)C2)C1 1940196425 KZAGHQRQEFXLLW-QZPUYBJASA-N 375.425 0.327 0 50 GCAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccnn2C)CC1=O 2325819941 VNJUVNMQRBBDFR-TZMCWYRMSA-N 376.438 0.835 0 50 GCAA Cn1cccc1C(=O)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895533 CPHRLUHKGBNPLN-OAHLLOKOSA-N 394.387 0.608 0 50 GCAA Cc1cn2c(=O)cc(CN3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)nc2s1 2356165697 GRGILUZIADKKQT-JSGCOSHPSA-N 378.454 0.282 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)N2CCN(c3ccccn3)CC2)CC1 12613246 QKRMHYQVSMKGIS-UHFFFAOYSA-N 384.488 0.649 0 50 GCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3cccs3)C(=O)N2[C@H]1C(=O)O 15449281 AKTWFEXJHLCYFM-KZFFXBSXSA-N 384.435 0.548 0 50 GCAA biogenic,in-man CCn1c([C@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn(CCN(C)C)c1=O 67908213 VQKVHTPOMZXXHW-AWEZNQCLSA-N 388.472 0.334 0 50 GCAA O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1CCc1c[nH]cn1 91321159 YJGKRWMDHYAPQW-IBGZPJMESA-N 384.440 0.581 0 50 GCAA Cc1n[nH]c(SCC(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)n1 91625049 FNMNLILYIZZIBP-KRWDZBQOSA-N 383.518 0.527 0 50 GCAA CN(Cc1cnccn1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 91746106 ITRSLJMKKMCCOA-MRXNPFEDSA-N 375.473 0.396 0 50 GCAA CCn1cc(S(=O)(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c(C)n1 95383426 HZPDOOFDKFITQT-GFCCVEGCSA-N 384.458 0.298 0 50 GCAA COC(=O)c1cnc2c(c1)n(CC(=O)N1CCCOCC1)c(=O)n2CC(C)C 95507476 URWCQJICKUDPCL-UHFFFAOYSA-N 390.440 0.890 0 50 GCAA O=C(CN1C(=O)CCNC1=O)N1CCCN(C(=O)OCc2ccccc2)CC1 95520742 VJAKBVUHWNDGQA-UHFFFAOYSA-N 388.424 0.799 0 50 GCAA CCC(=O)N[C@@H](C)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95531132 XWKZVUHOVHSJPV-ZDUSSCGKSA-N 391.472 0.173 0 50 GCAA NS(=O)(=O)c1ccc(CNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)cc1 96141519 UNUXLBFLVCUJLJ-DNVCBOLYSA-N 392.525 0.414 0 50 GCAA CCc1nc(C2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)n[nH]1 193578909 UKWKULKSCNNFEB-UHFFFAOYSA-N 384.488 0.685 0 50 GCAA CN(CC(=O)N1CCNC[C@H]1c1nccn1C)S(=O)(=O)c1ccccc1 261693677 IQWBIWULEPXMMM-HNNXBMFYSA-N 377.470 0.214 0 50 GCAA C[C@H]1CN(Cc2cc(=O)n3ccccc3n2)CCN1c1nccn2cnnc12 441041893 OTGISUDMRYZKLQ-AWEZNQCLSA-N 376.424 0.843 0 50 GCAA Cn1nccc1CCC(=O)N1CCCN(CC(=O)NC[C@H]2CCCO2)CC1 1529180176 CFLBHWSNLBNACK-QGZVFWFLSA-N 377.489 0.182 0 50 GCAA CN1C(=O)NCC12CN(Cc1ccc(OCC(=O)NC[C@H]3CCCO3)cc1)C2 1857678313 VMDAPVOJSRGOPR-QGZVFWFLSA-N 388.468 0.570 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1n[nH]c2c1CCC2 1857696916 QQFMZIILJYBKLK-RYUDHWBXSA-N 388.449 0.852 0 50 GCAA CO[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CC[C@@H]1N=c1cc[nH]c(=N)[nH]1 1857707474 UKSUBIPKXYHDKZ-DZKIICNBSA-N 399.451 0.952 0 50 GCAA CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857715567 XZXKOEZUGLTYQC-KKUMJFAQSA-N 376.457 0.530 0 50 GCAA COC(=O)[C@@H]1CCCN(S(=O)(=O)NC2=NC(=O)NC2=C(Cl)Cl)C1 1857800433 BOBUETWAPKFBAF-ZCFIWIBFSA-N 385.229 0.474 0 50 GCAA Cn1cc(Br)c(=O)c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c1 1875400537 CKHMXVNNCDKTNJ-LERXQTSPSA-N 395.257 0.914 0 50 GCAA COCC(=O)N1C[C@H](CC(=O)N[C@@H]2CCCn3c(C)nnc32)OCC12CCC2 2325785311 PGGRNQWXASMMAT-LSDHHAIUSA-N 391.472 0.724 0 50 GCAA O=C(N[C@H]1CCN(C2CNC2)C1=O)c1ccc2nnc(-c3ccccc3)n2c1 2325801859 YRKMSPJBFTVKIM-INIZCTEOSA-N 376.420 0.699 0 50 GCAA O=C1CC[C@H](N2Cc3c(C(=O)NCC[C@@H]4CCCNC4)cccc3C2=O)C(=O)N1 2325896086 QTODTHWMARHKDO-GUYCJALGSA-N 398.463 0.567 0 50 GCAA COc1ccc(CCN2C(=O)CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1OC 754077 HLVCLGTXKDFCEI-UHFFFAOYSA-N 399.407 0.420 0 50 GCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 11764819 OQZYCOYHYISYES-QGZVFWFLSA-N 378.517 0.694 0 50 GCAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 65451493 ZJFGPVKFMHZWGV-UHFFFAOYSA-N 378.410 0.363 0 50 GCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)no2)[C@@H]3C1=O 77455517 HNCQEVIMTJWEHI-MKSNKDDYSA-N 375.425 0.760 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1=O 82108935 LGVFNKSBVXROIL-UHFFFAOYSA-N 376.800 0.145 0 50 GCAA OC[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@H]1CN1CCOCC1 91270596 MZHILIGCZXNJOK-WOJBJXKFSA-N 375.513 0.896 0 50 GCAA CCc1noc(CNS(=O)(=O)c2cccc(C(=O)N3CCNCC3)c2)n1 97076385 OIRZGVUDBDKGBN-UHFFFAOYSA-N 379.442 0.156 0 50 GCAA COc1ccnc(N2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)c1 237589137 QVKPOJXMYSWGOD-UHFFFAOYSA-N 385.472 0.877 0 50 GCAA CCN1C(=O)[C@@H]2[C@H](c3ccc(F)cc3OC)N[C@](CO)(C(=O)OC)[C@@H]2C1=O 249681956 BTKAJTXFKCKJOQ-NUXNZHGMSA-N 380.372 0.004 0 50 GCAA COCCCn1cnnc1CNS(=O)(=O)c1c(C)cc(C)c2nonc12 824396927 UBJVXDLXRMEPQH-UHFFFAOYSA-N 380.430 0.946 0 50 GCAA CC(C)(C)N1C[C@@H](C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)CC1=O 952864397 YSACMVXINSYKCZ-AWEZNQCLSA-N 399.557 0.791 0 50 GCAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)CN3C(=O)CN(C)C3=O)O2)CC1 952970478 DQBLZCKVPOBFCT-MRXNPFEDSA-N 392.500 0.976 0 50 GCAA CCN1CCC(N(CCc2ccccn2)C(=O)Cc2cnc(O)n(C)c2=O)CC1 1506423277 DWQDRPVJPXZKTD-UHFFFAOYSA-N 399.495 0.979 0 50 GCAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@@]2(CO)C1 1772812290 FBJUMFVRRPPPAP-KSSFIOAISA-N 396.513 0.783 0 50 GCAA Cc1cn(CCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)nn1 1857681737 DOUIJMWTNMCVBD-ZIFCJYIRSA-N 376.505 0.183 0 50 GCAA COc1ccnc(C(=O)N[C@H]2CC[C@H](C(=O)NCCN3CCCC3)C[C@@H]2O)c1 1940195909 VSBZQRUYIZOMQT-ZVZYQTTQSA-N 390.484 0.562 0 50 GCAA O[C@H]1CCN(c2ccnc(N3CCc4nc(-c5cccnc5)nn4CC3)n2)C1 2356164734 FAMZVOHXCWUJNF-HNNXBMFYSA-N 378.440 0.764 0 50 GCAA NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 4258589 XGUIIADGINTIHJ-UHFFFAOYSA-N 383.456 0.608 0 50 GCAA CCC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1 20500516 VGDCJCZDOHZGOC-MRXNPFEDSA-N 399.513 0.443 0 50 GCAA Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 20599492 HWSZLHNKWNUTQK-SFHVURJKSA-N 383.452 0.694 0 50 GCAA CCn1cnnc1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 72131991 ZWNPADKMBSVSAI-MRXNPFEDSA-N 388.447 0.487 0 50 GCAA COc1cccc(N2C(=O)C[C@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 100541686 DVLLZRINHITLFZ-INIZCTEOSA-N 389.433 0.764 0 50 GCAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)cc1OC 170625228 DUVYKKORENVZHY-AWEZNQCLSA-N 391.424 0.416 0 50 GCAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 363891326 GJOZKRVFDSKOBF-KRWDZBQOSA-N 393.532 0.726 0 50 GCAA Cc1cccc(-n2cc(CNC(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)cn2)c1 426527705 GWSOYAXQWFTXKH-HNNXBMFYSA-N 380.408 0.412 0 50 GCAA O=C1CN(Cc2cccc(NC(=O)c3ccc(-n4cnnn4)cc3)c2)CCN1 463002958 QNCOCIMDUSHMGD-UHFFFAOYSA-N 377.408 0.846 0 50 GCAA CCn1cc(C(=O)N2CC3(CN(C)C[C@H]3c3ccnc(N4CCCC4)n3)C2)nn1 1875395742 KRPIEGMFGFRSNJ-HNNXBMFYSA-N 396.499 0.860 0 50 GCAA Cc1nc(C(=O)N2CCCNC(=O)C23CC3)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403790 CNRVULVIVYJBDU-OAHLLOKOSA-N 386.500 0.728 0 50 GCAA COc1ccc(C(=O)N2CCO[C@@H]3CC[C@H](C(=O)N(C)CCO)C[C@H]32)cn1 1940197585 ANVIDAJQIBQINB-NUEKZKHPSA-N 377.441 0.551 0 50 GCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cccn3c(O)nnc23)c1 2325748287 QLWMNOHBMWACLR-UHFFFAOYSA-N 383.368 0.684 0 50 GCAA CN(C)S(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccccc3)no2)CC1 67623061 DXAPNRSGYVRABW-UHFFFAOYSA-N 393.469 0.871 0 50 GCAA O=C(c1ncn[nH]1)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C1 77354962 WGXNBLZNEOUZMU-AWEZNQCLSA-N 391.453 0.461 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3cc(C4CC4)no3)cc2C1 82083828 AJKHKGGCQIFITN-UHFFFAOYSA-N 379.442 0.844 0 50 GCAA COCCN1CCN(C(=O)c2ccc(C)cc2OC)[C@H]2CS(=O)(=O)C[C@H]21 82087017 TZKFXJHPPJNBMX-CVEARBPZSA-N 382.482 0.573 0 50 GCAA Cn1nccc1CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC2)c1 95359688 ISPWDYYTRALYGE-CQSZACIVSA-N 378.454 0.460 0 50 GCAA CO[C@@]1(C)O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@]1(C)OC 95495839 SXIYCPDFMXIYFL-OHNZXXHYSA-N 384.425 0.791 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](O)c1ccccc1)CC2 95523258 ZQPDJFUYPZMXRS-SFHVURJKSA-N 398.463 0.992 0 50 GCAA COc1ccc([C@@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@H]2NC(C)=O)cc1 95529954 QUCDVLQGLZTYDM-DLBZAZTESA-N 380.408 0.877 0 50 GCAA CN(CCO)Cc1nnc(C2CCN(C(=O)CCc3cnccn3)CC2)n1C 96147832 SPUNBTCUUCWKEM-UHFFFAOYSA-N 387.488 0.368 0 50 GCAA CC(C)CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[C@H]1CCS(=O)(=O)C1 248264242 XHNAXFQAOQRCGU-RRFJBIMHSA-N 382.482 0.609 0 50 GCAA CCc1nc(CCNC(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)no1 584899615 YGPNEWLOFHEQEL-SFHVURJKSA-N 379.461 0.581 0 50 GCAA COCCc1nc(CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)no1 584901772 JFSFQIGETZNJKJ-HNNXBMFYSA-N 377.376 0.780 0 50 GCAA COc1ccc(-n2cnnc2)cc1NC(=O)CN1CCN(c2ncccn2)CC1 952971699 IFALDKIRTKAIFZ-UHFFFAOYSA-N 394.439 0.827 0 50 GCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1 1506408933 NUNMEVZVOQZXRQ-GOSISDBHSA-N 395.525 0.977 0 50 GCAA CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1875305806 IUTMSOMCHVQFJW-BFCNOCSMSA-N 398.485 0.791 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2ccncc2Cl)ncn1 1875401690 PBZUFIGYAVQKOX-ZIAGYGMSSA-N 390.875 0.890 0 50 GCAA COC(=O)N1CCN(C(=O)c2cn3c(n2)CCN([C@H]2CCOC2)CC3)CC1 2100480657 NFEOKZVUYGLXPM-AWEZNQCLSA-N 377.445 0.054 0 50 GCAA Cn1ncc2ncc(C(=O)N3CCC4(CCc5c(O)nc(=N)[nH]c54)CC3)cc21 2356163558 ITGJJVXKOKIHIE-UHFFFAOYSA-N 379.424 0.997 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCO2)c(OC)c1 13594730 QXRZLQCRKOEOOQ-MRXNPFEDSA-N 377.441 0.948 0 50 GCAA CC(C)[C@H](NC(=O)C(=O)N1CCc2ccccc21)c1nnc2n1CCNCC2 67884383 LYHVPIZUQQRWLT-KRWDZBQOSA-N 382.468 0.826 0 50 GCAA Cn1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71681228 RDJDHULDRJQNCA-MRXNPFEDSA-N 389.500 0.596 0 50 GCAA COCCNS(=O)(=O)c1cccc2c1CN(C(=O)CCn1cncn1)CC2 77303427 DXRISGQDEFLGFN-UHFFFAOYSA-N 393.469 0.178 0 50 GCAA COCC(=O)N1CCN(Cc2cc(F)ccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 77485150 UZAJWXCESSOUMM-LSDHHAIUSA-N 386.445 0.291 0 50 GCAA O=C1C[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CN1 91663193 PBWOGRJVYMFOFK-CQSZACIVSA-N 385.468 0.548 0 50 GCAA COc1ncccc1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 91914970 LMHABOKFWBLSTE-UHFFFAOYSA-N 379.442 0.382 0 50 GCAA O=C1C[C@H](NC(=O)CCn2nnnc2CN2CCOCC2)c2ccccc2N1 95531151 PPNSTCWAIYORRX-HNNXBMFYSA-N 385.428 0.095 0 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1875404014 PYDKOADODHLOFH-OLZOCXBDSA-N 376.457 0.906 0 50 GCAA O=C(COc1ccccc1Cl)N[C@@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1O 2100534876 YEILZGFXJFVDMN-NWANDNLSSA-N 382.844 0.833 0 50 GCAA C[C@@]1(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCCNC1 2325896945 KWUOIRIWPMSNTR-IIBYNOLFSA-N 398.463 0.567 0 50 GCAA Cc1ccc(C2=NN(CCO)c3nc4c(c(=O)n(C)c(=O)n4C)n3[C@H]2C)cc1 4626165 SRUPHLPMXGFASN-LBPRGKRZSA-N 382.424 0.520 0 50 GCAA Cn1ccnc1SCCNC(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20999521 CFDPNPLUPATGQI-HNNXBMFYSA-N 395.529 0.199 0 50 GCAA COc1ccnc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)c1 23159418 MKWVPYSMFJYOGJ-MRXNPFEDSA-N 390.484 0.619 0 50 GCAA CN1CCC(O)(CNC[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 67908838 CDBVTYHWOCRURP-FQEVSTJZSA-N 379.476 0.726 0 50 GCAA O=C1CN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)CCN1 77428428 QRNLLXOUJIZRHD-MCNSXXNHSA-N 385.395 0.066 0 50 GCAA CC[C@]1(C(=O)OC)N[C@@H](c2ccc(S(C)(=O)=O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210207203 IRKLDHHCTJKDEW-NUXNZHGMSA-N 394.449 0.287 0 50 GCAA O=C(Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1)NCc1ccon1 244816984 SSGBZSGXWNQKRE-KRWDZBQOSA-N 383.412 0.399 0 50 GCAA CC[C@H](CO)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 248132876 WUCYBWGNSSAMNF-SPYBWZPUSA-N 380.489 0.402 0 50 GCAA COc1ccnc(-c2ccc(C(=O)N3CCC4(CC3)NC(=N)NC4=O)cc2)n1 426444393 CQMUTLNULLCZHV-UHFFFAOYSA-N 380.408 0.781 0 50 GCAA CN1CC(=O)N(CC(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)C1=O 426526848 JSAZUXKZKGATFO-ZDUSSCGKSA-N 384.396 0.732 0 50 GCAA CCCN1CCN(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)CC1=O 426563534 UMWCXOIISHWEBB-QGZVFWFLSA-N 375.473 0.719 0 50 GCAA CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CCCCC3)C2)C1 1329444472 WNDNHKMOVICOTO-HOTGVXAUSA-N 385.530 0.955 0 50 GCAA COc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)cc1Cl 1565526828 YVGMTGBIYZQVHG-KBPBESRZSA-N 377.894 0.680 0 50 GCAA O=C(NCCCn1ccnn1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565529161 BDMUQSAZRQJHGS-HIFRSBDPSA-N 389.485 0.957 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)C[C@@H]1O 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376.438 0.495 0 50 GCAA O=C(CN1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)NC1CC1 82091679 DEPJPJITQUZHBI-MRXNPFEDSA-N 378.517 0.300 0 50 GCAA CCC(=O)N[C@H](C)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95531133 XWKZVUHOVHSJPV-CYBMUJFWSA-N 391.472 0.173 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CN1CC=C(C)C 96162560 BVAZDRMLHBDEAY-ZBFHGGJFSA-N 375.473 0.777 0 50 GCAA CS(=O)(=O)N1C[C@H]2CN(Cc3noc(C4CCCC4)n3)C[C@@]2(C(=O)O)C1 96163794 OYEIAKHPZPOFQC-MLGOLLRUSA-N 384.458 0.505 0 50 GCAA CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3nc(N(C)C)no3)cc21 170599232 LYWUCNFRIKCIOR-UHFFFAOYSA-N 379.442 0.913 0 50 GCAA Cc1nn(CC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cc1Cl 244659556 HEUVQHWSQVDUJP-UKRRQHHQSA-N 377.832 0.632 0 50 GCAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCN(c2ncccc2C(N)=O)CC1 282834005 KBKZWKNZEGQBFZ-HNNXBMFYSA-N 383.456 0.823 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1 328615904 BDNVBVSFSWGSHQ-HOCLYGCPSA-N 378.454 0.176 0 50 GCAA CCOCCN(C)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 376946100 QBQYSVMORRMHGV-LSDHHAIUSA-N 389.452 0.517 0 50 GCAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCOCC3)CC2)n1 426478050 RMBVHACXXUDNCK-OAHLLOKOSA-N 377.489 0.686 0 50 GCAA CCNS(=O)(=O)CCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 932446288 LUUVIQPELOQWSM-UHFFFAOYSA-N 382.408 0.836 0 50 GCAA CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 1319324395 HSKGOZVMXKORLS-OAHLLOKOSA-N 395.485 0.584 0 50 GCAA CC1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCN(CC3CC3)CC2)COC1 1775960665 ZGICECPGUFQJFZ-SJORKVTESA-N 376.501 0.892 0 50 GCAA O=S1(=O)CCN(CCOc2ccc3c(c2)CCOC32CCNCC2)CC1 1857670097 RARZSYASOQFCMS-UHFFFAOYSA-N 380.510 0.947 0 50 GCAA NS(=O)(=O)c1ccc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)C2CC2)cc1 1857694897 LJZUVRNBQRPOFR-HOTGVXAUSA-N 377.466 0.488 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3cc4ccccc4n(C)c3=O)CCO2)n1 1857723491 IKHCPFGXGTWCKU-MRXNPFEDSA-N 398.423 0.385 0 50 GCAA O=C1CC[C@@H](N2C(=O)c3ccc(OCc4nc(C5CC5)no4)cc3C2=O)C(=O)N1 2325893868 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CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccccc3OCCO)C[C@@H]2C1 91444751 HFOQHGGJJFXESF-SJLPKXTDSA-N 384.498 0.276 0 50 GCAA O=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95499124 JTQFBIUULKUPMA-MRXNPFEDSA-N 391.431 0.956 0 50 GCAA CCN(C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)C1 170616435 VVCHUOAPAVBECX-CQSZACIVSA-N 384.454 0.975 0 50 GCAA O=C(NCC(=O)N1CCOCC1)NC1CCN(Cc2ccc(F)cc2)CC1 183486586 VJNNWOOROKZAHM-UHFFFAOYSA-N 378.448 0.948 0 50 GCAA CN(CC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O)S(C)(=O)=O 262207239 VJTCKEILDTYNEO-LLVKDONJSA-N 383.253 0.997 0 50 GCAA O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCc1ccc(-n2ccnc2)c(F)c1 266295366 RMAWUXYXOXJYRV-JOCBIADPSA-N 398.394 0.790 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccc3nonc23)C1=O 328608639 ATLUAQMIMFEHCA-NSHDSACASA-N 376.398 0.430 0 50 GCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(C(=O)NC)cc3)C2)n1 328609538 DUGFKKBILBMZHM-INIZCTEOSA-N 380.426 0.274 0 50 GCAA COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1sccc1OC 438956729 ICGQBSNJHGPZSM-CNVPUSNMSA-N 389.451 0.870 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)CCOc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073342489 DJBBYTSTHNYFRW-CVEARBPZSA-N 395.481 0.447 0 50 GCAA COC[C@H]1CCCN(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 1506408792 XCSOMLYAXAEMOY-ZDUSSCGKSA-N 377.488 0.027 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1Nc1cncc(C(=O)N2CCCC2)n1 1704329735 BZLJSMPUVQWUKX-GXTWGEPZSA-N 383.474 0.031 0 50 GCAA Cc1nccn1CCC(=O)N1C[C@@H]2CN(C(=O)c3cncc(O)c3)C[C@]2(CO)C1 1772807352 TXSPZSQULYHROG-UZLBHIALSA-N 399.451 0.275 0 50 GCAA Cc1nnc(CCNC(=O)[C@H]2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)s1 1875243309 AOWRGEXSFVLEIB-OUCADQQQSA-N 390.469 0.255 0 50 GCAA CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)N[C@H]1C[C@@H](CO)C1 1875331237 WDBYNILDXPUYMR-BJHJDKERSA-N 385.442 0.803 0 50 GCAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C2)n1 2325759953 YGHCCCVUCPIBOP-ROUUACIJSA-N 397.479 0.631 0 50 GCAA O=C(CN1CCc2nc[nH]c2[C@@]12CCNC2)NCc1cnn(-c2ccccc2)c1 2325774211 PVTJPQDOPMZIDH-NRFANRHFSA-N 391.479 0.959 0 50 GCAA CCOC(=O)N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 5050070 OIOUHZGFFLQQTA-UHFFFAOYSA-N 398.485 0.600 0 50 GCAA CN(C[C@H](O)CO)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 67588549 XNEROZQZDOSCPO-INIZCTEOSA-N 386.452 0.950 0 50 GCAA O=C(O)CN1CC2(CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)OC1=O 77540336 RXMDBHOYGPKKSR-UHFFFAOYSA-N 385.380 0.983 0 50 GCAA CN(C)C(=O)N1CCN(C(=O)CCOc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 95530590 DJBBYTSTHNYFRW-JKSUJKDBSA-N 395.481 0.447 0 50 GCAA O=C(NC[C@H]1CCCN1)c1cccc(S(=O)(=O)NCCn2cccn2)c1 97604248 QXPULAMVWUHSDA-OAHLLOKOSA-N 377.470 0.343 0 50 GCAA CN1CCN(c2ncccc2CNC(=O)N2CCN(c3cnn(C)c3)CC2)CC1 174209563 OETQECLUPYSDHL-UHFFFAOYSA-N 398.515 0.599 0 50 GCAA Cc1ccc(SCCN(C)C(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)cc1 584902313 NNFMIENIEYWGTO-HIFRSBDPSA-N 376.482 0.828 0 50 GCAA O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[C@@H]1CCCN[C@@H]1C1CC1 888102598 BWHOVHUKCGLGFG-QZTJIDSGSA-N 399.557 0.854 0 50 GCAA CN1C[C@]2(C)CN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)C[C@@]2(C)C1 913289274 FRJWZOUDYRFIMR-RTBURBONSA-N 384.488 0.536 0 50 GCAA C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CCS(=O)(=O)C1 1321966589 QLRQSBCXLPAECK-PIGZYNQJSA-N 379.438 0.248 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C[C@H]1O 1529180626 MJRRUKAMNMLXII-GOEBONIOSA-N 378.454 0.401 0 50 GCAA CN1CCC[C@]2(CO)CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]12 1704337587 ARPCSZAYUVDILS-IEBWSBKVSA-N 380.510 0.938 0 50 GCAA CC(C)SCC(=O)N1CCCN(C(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)CC1 1772712282 QTHXYZDJLKNAFS-CYBMUJFWSA-N 384.502 0.471 0 50 GCAA CS(=O)(=O)CCN1CCC2(CC1)CC(=O)N(C[C@H]1CCCOC1)CCO2 1857684190 CGIUYWCSOLUFJC-MRXNPFEDSA-N 388.530 0.541 0 50 GCAA CN1CC[C@H](NC(=O)c2cc3c(s2)C2(CCN(C(=O)CO)CC2)OCC3)C1 1857694267 IKHSXZCONZCIDX-AWEZNQCLSA-N 393.509 0.565 0 50 GCAA C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccn3nccc3n2)C1 1875315526 YJBFYPIOWPBANN-GZBFAFLISA-N 399.455 0.239 0 50 GCAA CN1CCN(C2(CNC(=O)NS(=O)(=O)[C@@H]3COC(C)(C)C3)CCC2)CC1 1875335479 NXOTZGTTZMBTPD-AWEZNQCLSA-N 388.534 0.353 0 50 GCAA CNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 2806975 OGHSUFOMDUUTFM-NSHDSACASA-N 375.472 0.205 0 50 GCAA COc1ccc(CCN2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1OC 4173653 IVVKOPQUIRHWIM-OAHLLOKOSA-N 389.452 0.571 0 50 GCAA Cn1c(CCNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)n[nH]c1=O 67834427 QZOCBEXWHQSQGE-IBGZPJMESA-N 379.505 0.564 0 50 GCAA O=C(COc1ccc2c(c1)OCO2)N1CCOC[C@@](O)(CN2CCCC2)C1 77517780 FTVMUMQDENDXHC-LJQANCHMSA-N 378.425 0.480 0 50 GCAA O=C(CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)O)NCCc1ccc(F)cc1 95361821 JUTIBJHDQWIUCU-HNNXBMFYSA-N 377.416 0.540 0 50 GCAA Cc1cccn2c(=O)cc(CN3CCC4(CC3)[C@@H](C(=O)O)CC(=O)N4C)nc12 95369955 QQFDVOOCNXFKIB-OAHLLOKOSA-N 384.436 0.900 0 50 GCAA Cc1cc(NC(=O)N2CCN(S(N)(=O)=O)CC2)n(Cc2ccccc2)n1 95502057 PMEDSJCHSAMGGV-UHFFFAOYSA-N 378.458 0.593 0 50 GCAA CCc1nc(C[C@H]2CN(C(=O)Cn3ncc4ccccc4c3=O)CCO2)no1 95525967 XAWGEHBUPVVHJJ-AWEZNQCLSA-N 383.408 0.812 0 50 GCAA NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1 215135765 PGYNPTJSRLVEMR-CQSZACIVSA-N 378.410 0.243 0 50 GCAA Cc1cc(N2CCC[C@@H](NC(=O)N3CCOC[C@@H]3c3ncnn3C)C2)n(C)n1 288476800 NBGYDDMGJJOSLN-HUUCEWRRSA-N 388.476 0.609 0 50 GCAA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCO[C@@H](CNc3nccn(C)c3=O)C1)CO2 333144135 KTWSQOFGMHAXPC-RDJZCZTQSA-N 398.463 1.213 0 50 GCAA CN(C)Cc1ccccc1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 486358416 NRTPBLPDZABGCV-UHFFFAOYSA-N 388.497 0.996 0 50 GCAA C[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 780126267 PEPRQYHVEOEYCI-GOEBONIOSA-N 398.481 0.439 0 50 GCAA O=C(NC[C@H]1[C@H]2CN(C(=O)CO)C[C@]23CC[C@H]1O3)c1cnc2ccccc2c1 1704298735 MOIXXSMPBVTVAM-LTVCHDBBSA-N 381.432 0.963 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(-c2ccccn2)[nH]n1 1704313393 MFQAHSVBFPFXAZ-XHDPSFHLSA-N 379.442 0.108 0 50 GCAA O=C(N[C@@H]1COC[C@H]1N1CCOCC1)c1nc(Br)c2ccccn12 1875396452 HSYHTIQWPGYUOD-DGCLKSJQSA-N 395.257 0.926 0 50 GCAA CCn1nc(CC(N)=O)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2100537016 GDBFFISCBRUOCX-SJORKVTESA-N 389.412 0.272 0 50 GCAA CO[C@@H]1C[C@@H](C(=O)N(C)CCO)CC[C@H]1NC(=O)Cc1n[nH]c2ccccc12 2356137185 RNZAEHFCHYPWNN-FDQGKXFDSA-N 388.468 0.856 0 50 GCAA CC1CCN(Cc2nnnn2CC(=O)NCCc2cn3ccccc3n2)CC1 15072217 POSZFTKSDFSHNL-UHFFFAOYSA-N 382.472 0.912 0 50 GCAA COC(=O)C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 20168695 YDPKOUNMEQDFPU-UHFFFAOYSA-N 395.415 0.753 0 50 GCAA O=C(COC[C@H]1CCCCO1)N1CCc2c(ncnc2N2CCOCC2)C1 77354926 SGYKGXPYWKGJEW-OAHLLOKOSA-N 376.457 0.784 0 50 GCAA O=C(NCCc1ccncc1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 95383016 JNBKKZCYOYROQM-MRXNPFEDSA-N 375.450 0.809 0 50 GCAA CCS(=O)(=O)CCNC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 95501859 HKWIIZMPPLFVNM-UHFFFAOYSA-N 379.460 0.623 0 50 GCAA Cc1cc(S(=O)(=O)NCC(=O)N2Cc3nnc(C)n3[C@H](C)C2)ccc1F 96153465 AYYNGAKVIXPDDE-LLVKDONJSA-N 381.433 0.916 0 50 GCAA CNC(=O)[C@@H](NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C(C)C 183642648 LXXKRBRROAAHJD-FQEVSTJZSA-N 388.512 0.626 0 50 GCAA CC(=O)N[C@@H]1[C@H](OCc2ccc(Cl)cc2Cl)O[C@H](CO)[C@@H](O)[C@@H]1O 245231364 CIHDSPCYFDFWRF-XLWJZTARSA-N 380.224 0.454 0 50 GCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3ccccc3OCCO)C[C@H]2C1 247506814 HFOQHGGJJFXESF-WMZOPIPTSA-N 384.498 0.276 0 50 GCAA COCC[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C)C(=O)OC 253429108 CAQNNLQILOMSOV-CABCVRRESA-N 379.392 0.599 0 50 GCAA CNC(=O)[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CCO1 272723660 CKFQSZDQCATAKQ-QGZVFWFLSA-N 388.468 0.969 0 50 GCAA CC1(C)C[C@H](NC(=O)[C@@H]2COCCO2)C[C@@](C)(CNC(=O)[C@@H]2COCCO2)C1 332768462 JJMUUBCMELRDPQ-ZKNHNOBHSA-N 398.500 0.635 0 50 GCAA CN1C(=O)N(C)C2(CCN(C(=O)NC[C@H](c3ccco3)N(C)C)CC2)C1=O 534635502 JVZMKHCKJZBPGX-CYBMUJFWSA-N 377.445 0.950 0 50 GCAA O=C(O)c1cn([C@H]2CN[C@H](C(=O)NCc3noc(-c4cccs4)n3)C2)nn1 828128631 JAYXXFPMRMZHNO-BDAKNGLRSA-N 389.397 0.307 0 50 GCAA O=C(Cn1cc2ccccc2n1)N1C[C@H]2CN(Cc3cncnc3)C[C@@]2(CO)C1 1772808749 ZXHIYDJDTVGHPK-NQIIRXRSSA-N 392.463 0.779 0 50 GCAA COC1(C(=O)NC[C@H]2CCCO2)CCN(C(=O)c2cnn3ccn(C)c23)CC1 1857671560 VITOKNFRGCFTPS-CQSZACIVSA-N 389.456 0.589 0 50 GCAA Cc1nc2sccn2c1C(=O)N1CC[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 1857727680 XUUYUWYMLNRKOI-ZIAGYGMSSA-N 392.481 0.822 0 50 GCAA Cc1nc2ncc(C(=O)N[C@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)c(=O)n2[nH]1 1857735137 JOZZJRHOILPDAH-YQQAZPJKSA-N 394.435 0.670 0 50 GCAA CN1CCO[C@@H](C(=O)NC[C@@]2(C)CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1875332022 KEPFEHJTIZIABC-YLJYHZDGSA-N 385.468 0.862 0 50 GCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(c3n[nH]c(Br)n3)CC2)C1 1875384809 IWEKKNHFDCKCML-NSHDSACASA-N 397.277 0.640 0 50 GCAA Cc1nc(C(=O)NCCC2(O)CCOCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403918 KXUWVUPWLWZBRT-MRXNPFEDSA-N 391.516 0.895 0 50 GCAA C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O 3995483 DPFHVUSPVHRVFL-YFKPBYRVSA-N 378.119 0.592 0 50 GCAA in-vitro Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC1 4318254 OOBHXUBVRGGWDL-CQSZACIVSA-N 386.495 0.696 0 50 GCAA Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN4CCC[C@@H]4C3)C2)cnn1C 6921755 WQHJUKPIGZTLOJ-HZPDHXFCSA-N 395.529 0.436 0 50 GCAA COc1ccccc1[C@H]1CCCN1C(=O)Cn1nnnc1CN1CCOCC1 19839850 DKBLWUMFDDJQGO-MRXNPFEDSA-N 386.456 0.878 0 50 GCAA CCC(=O)Nc1ccc(OCC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)cc1 65382543 XFJZTQUSIKNRIR-IRXDYDNUSA-N 377.441 0.630 0 50 GCAA C[C@@H](Cc1cnccn1)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67654938 BHZDJGCGENHUEV-VIFPVBQESA-N 382.467 0.792 0 50 GCAA CCc1nn(C)c(NC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1C 96164830 DSEACLJLUVNQEQ-UHFFFAOYSA-N 384.506 0.781 0 50 GCAA COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1OC 299778152 GSOBLNGSIRQZKP-BBRMVZONSA-N 380.426 0.830 0 50 GCAA C[C@@]1(c2cccc(C(=O)N3CCC[C@H](c4nnc(O)o4)C3)c2)NC(=O)NC1=O 425311685 YHFOUEHZRZQDKU-VOJFVSQTSA-N 385.380 0.850 0 50 GCAA Cc1cc2ccccc2n1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 670444668 XLISDCKAAYVDPS-UHFFFAOYSA-N 376.438 0.326 0 50 GCAA O=C1NCCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 828307406 JRTMZIRVNGOCJQ-OAHLLOKOSA-N 375.425 0.639 0 50 GCAA CC(=O)NCc1cc(O[C@@H]2CCN(CC(=O)NCc3cccnc3)C2)ccn1 886071970 JSMWDFQFDQVKMY-LJQANCHMSA-N 383.452 0.882 0 50 GCAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1 1506404173 GIQFQERCZVTSCQ-HOTGVXAUSA-N 381.860 0.881 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1O 1529101992 SUOQKAXIWDZZBH-SWLSCSKDSA-N 381.429 0.698 0 50 GCAA CN1CC[C@]2(C(=O)N3C[C@H]4COC[C@H]4C3)CCCN(C(=O)c3cnc[nH]3)[C@H]2C1 1775982362 KTMUPEXEGPAHGK-NVALYEJGSA-N 387.484 0.441 0 50 GCAA O=C(CN1CCOC1=O)N1CCCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 1800412432 ZJNMBKVGDRSKRS-UHFFFAOYSA-N 390.396 0.934 0 50 GCAA Cc1nnc2n1C[C@@]1(CCN(C(=O)CN3CCOc4ccccc4C3)C1)OC2 1857681574 ABNOMXIZRJDPLI-FQEVSTJZSA-N 383.452 0.982 0 50 GCAA C[C@H]1CN(C(=O)[C@H]2COCCN(C(=O)c3cnn4ccn(C)c34)C2)C[C@@H](C)O1 1857710674 JUMMYEQADRXCIA-QLFBSQMISA-N 389.456 0.397 0 50 GCAA CC(C)(NC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)C(N)=O 1857715219 HLKFPIZSJOPNPX-LBPRGKRZSA-N 387.465 0.862 0 50 GCAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)ccc1OC 1857735541 RENKNGPTESFBQF-AGIUHOORSA-N 383.470 0.195 0 50 GCAA O=C(COc1ccsn1)NC[C@H]1CCN1C(=O)c1nn[nH]c1C(F)(F)F 2325827510 IIHQBDGDXSAANE-SSDOTTSWSA-N 390.347 0.690 0 50 GCAA COC(=O)Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 12374126 PPMDDPINFFRUAS-UHFFFAOYSA-N 381.392 0.679 0 50 GCAA COCCNC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1 15003095 YWCMMOFQCIXFBT-AWEZNQCLSA-N 393.469 0.680 0 50 GCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 65430342 ZWJGLJULWFNRGE-HIFRSBDPSA-N 382.844 0.976 0 50 GCAA Cc1cc2n(n1)CCN(c1ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n1)C2 72419322 MANOJKZYHOOAJA-ZDUSSCGKSA-N 376.486 0.872 0 50 GCAA CCc1nn(C)c(Cl)c1-c1cn(C[C@@H]2CN(S(C)(=O)=O)CCO2)nn1 91526596 FDSMRCKOIBPUMU-SNVBAGLBSA-N 388.881 0.555 0 50 GCAA Cc1nnnn1CCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95386889 YKUQFGRLMFDQET-AWEZNQCLSA-N 384.448 0.151 0 50 GCAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCOC[C@H](O)C2)CC1 95501008 LTSUPCVILMAXND-OAHLLOKOSA-N 392.452 0.536 0 50 GCAA COCC(=O)N1CCC[C@H](c2nc(CC(N)=O)nn2-c2cccc(F)c2)C1 96149571 BBTXLHYDCFMKAG-LBPRGKRZSA-N 375.404 0.787 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2O)CN1C(=O)CCOC 96161688 IJEWWQZNBYFCMB-GJZGRUSLSA-N 377.441 0.193 0 50 GCAA COC(=O)[C@@]1(C)N[C@@H](c2cc3c(cc2OC)OCO3)[C@H]2C(=O)N(C)C(=O)[C@H]21 210296075 WZKGPRJBKOBCSD-NUXNZHGMSA-N 376.365 0.231 0 50 GCAA CC(C)Nc1nc(NCCO)nc(N2CCC(N3CCO[C@H](C)C3)CC2)n1 252491942 MAAYPBGXSYBXMG-CQSZACIVSA-N 379.509 0.786 0 50 GCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)n(C)n1 328615728 YYBDFVWJEXTMBW-IHRRRGAJSA-N 385.490 0.168 0 50 GCAA CC(C)(CNc1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1)N1CCOCC1 426496611 BQGQIXBJBCUZFM-CQSZACIVSA-N 377.489 0.684 0 50 GCAA CN1CCCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccc4nc[nH]c4c3)C2)CC1 1857687371 UKGRGYQAFNKNLF-KFKAGJAMSA-N 399.495 0.986 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)c2ccccc2-c2nn[nH]n2)[C@H]1c1cnn(C)c1 1857722954 RAEQLPYWFMAHKM-IRXDYDNUSA-N 396.455 0.744 0 50 GCAA CN=c1nc(N2CCn3c(cnc3C)C2)[nH]c(N2CCn3c(cnc3C)C2)n1 2325767400 IYVPCABKYQKGJN-UHFFFAOYSA-N 380.460 0.385 0 50 GCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCn3nc(CO)cc3C2)ncn1 2325785860 QWTPMYJQNCXOOX-NVXWUHKLSA-N 387.488 0.077 0 50 GCAA O=C(O)CCCCNC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896938 KSBKKUDHFALIIZ-CQSZACIVSA-N 387.392 0.432 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(C(=O)N[C@H]4CCCCNC4)cc3C2=O)C(=O)N1 2325897542 YYTOEKMJVISIDF-HOCLYGCPSA-N 384.436 0.320 0 50 GCAA Cc1c(CNC(=O)c2cc(C(=O)NCc3cnn(C)c3C)n(C)n2)cnn1C 20617474 HLVUWAWTMRSMDY-UHFFFAOYSA-N 384.444 0.364 0 50 GCAA CN(C[C@@H](O)CO)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 67588550 XNEROZQZDOSCPO-MRXNPFEDSA-N 386.452 0.950 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3cc(OC)ncn3)CC2)C1 71416400 LWWMPQLFZBXODW-OAHLLOKOSA-N 377.489 0.929 0 50 GCAA CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 369943926 GZXHHAKKUAYULY-ZACQAIPSSA-N 387.484 0.931 0 50 GCAA Cn1c(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc2ccccc21 1565513862 STAQIXCKJNUPDK-KSSFIOAISA-N 377.466 0.956 0 50 GCAA COc1cccc(CC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)c2ncc[nH]c2=O)c1 1857695112 UQQDXQXTDIYSBV-HWWDLCQESA-N 396.447 0.988 0 50 GCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C3CCN(C(=O)c4cccnc4)CC3)C[C@@H]12 1857713647 AKVDXTDWJGTQCM-KSZLIROESA-N 392.525 0.345 0 50 GCAA O=C1CN(CC(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)C(=O)N1 1857719760 SXOQJIHABMPEAI-LPHOPBHVSA-N 386.452 0.603 0 50 GCAA Cc1ccc2oc(N3CCC(c4nc(CC(N)=O)nn4CCO)CC3)nc2n1 1857731722 YPPPWNUZLFSYNZ-UHFFFAOYSA-N 385.428 0.527 0 50 GCAA O=C(CCc1nnc(O)nc1O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 2325730275 XMECGFNRDCCHAP-GFCCVEGCSA-N 399.386 0.744 0 50 GCAA C=CC(=O)N1CCCc2cc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)OC)ccc21 2325889700 JVHAEEYQBPCLIX-INIZCTEOSA-N 385.420 0.608 0 50 GCAA C[C@H]1CCN(C(=O)CNc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893106 OIQPSJUGWQCPRH-LRDDRELGSA-N 384.436 0.728 0 50 GCAA COC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)CC1 10541981 RPTICFMUZAAVGJ-UHFFFAOYSA-N 384.454 0.873 0 50 GCAA O=C(NC1=NN(c2ccccc2)C(=O)[C@@]1(O)S(=O)(=O)O)c1ccccc1 57311672 WTFGMAMOGGWVRQ-INIZCTEOSA-N 375.362 0.353 0 50 GCAA O=C(NCC1CCOCC1)c1cccc(S(=O)(=O)N[C@H]2CCNC2=O)c1 215554822 CUWZIKDLCPZEIB-HNNXBMFYSA-N 381.454 0.010 0 50 GCAA CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCn3cccn3)c2)C1 216421517 YJPFMVMMXJKZCM-HNNXBMFYSA-N 378.454 0.723 0 50 GCAA O=C(O)COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1Cl 273636092 BEBKLNPELMFVJE-VIFPVBQESA-N 389.817 0.202 0 50 GCAA CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1 408513203 GZZOWAHQDCLBDS-NSHDSACASA-N 378.410 0.334 0 50 GCAA O=C1CN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)[C@@H]2CCCC[C@@H]2N1 888097407 IIKSWMHSRZHLQN-UONOGXRCSA-N 386.456 0.380 0 50 GCAA CCCN1C[C@H]2CN(C(=O)CCn3cnc4ccccc4c3=O)C[C@@]2(CO)C1 1772805678 PHYIDJSAODXWEL-HRAATJIYSA-N 384.480 0.949 0 50 GCAA Cc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c3c(c(=O)oc2c1)CCCC3 1857525480 NEDWMPSWHZWUBC-LZRWSTQFSA-N 392.404 0.159 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCc3noc(C)n3)CC2=O)s1 1857719668 SJYDNHYQEISKSI-JTQLQIEISA-N 380.430 0.478 0 50 GCAA Cc1cccc(CC(=O)N[C@@H]2C[C@@H](C(=O)NCCn3cncn3)CC[C@H]2O)c1 1875246237 BZCCKVNFAVDAHC-RCCFBDPRSA-N 385.468 0.591 0 50 GCAA CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3cc(Br)c[nH]3)C2)cc[nH]1 1875400865 AHCJCQRKJUHEBM-NEPJUHHUSA-N 395.261 0.664 0 50 GCAA Cc1cc(=NC(=O)N2CCO[C@H](CNS(C)(=O)=O)C2)[nH]n1[C@H](C)C1CC1 2325828474 ICZJLBFJAZLIAK-TZMCWYRMSA-N 385.490 0.366 0 50 GCAA O=C(O)CCCCNC(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325896879 JLDRNGOZFVCGGQ-AWEZNQCLSA-N 387.392 0.432 0 50 GCAA CC(=O)[C@@H](C)n1c(CN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 20029247 JWFHZPWCTJXYPS-GRYCIOLGSA-N 377.445 0.193 0 50 GCAA COc1ccc2c(ccn2CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 47058931 AALIMGZTBFMYRW-MRXNPFEDSA-N 391.493 0.981 0 50 GCAA COC(=O)[C@]1(C)N[C@H](c2ccccc2Cn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65421249 CPBKILGYGRXCDQ-AXHMDWHKSA-N 382.420 0.738 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CNC3CCNCC3)C2=O)c1OC 67981824 WMBTXYUVTGUXOO-FQEVSTJZSA-N 377.485 0.899 0 50 GCAA COc1cc(CN2CCN(C(N)=O)CC2)ccc1OC[C@@H](O)CN1CCCC1 95517516 PXKLMHUUYQRTJZ-KRWDZBQOSA-N 392.500 0.727 0 50 GCAA CNS(=O)(=O)N1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 296098584 XAOYXKPDSXGXDP-CJNGLKHVSA-N 384.477 0.569 0 50 GCAA CC(=O)Nc1nonc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1506403521 PTWSBVOTVMRLPY-LBPRGKRZSA-N 397.388 0.959 0 50 GCAA CCc1cc(N2CCN(S(=O)(=O)N3CCC[C@H](COC)C3)CC2)ncn1 1506425816 RSSWCLRGUTXTLY-HNNXBMFYSA-N 383.518 0.764 0 50 GCAA Cc1cccn2c(CC(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)cnc12 1704298061 DNLNFCQITCONQF-ZFWWWQNUSA-N 380.470 0.208 0 50 GCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCn3cc(C)nn3)CC2=O)s1 1857716431 MKIJICHYWZXHQK-NSHDSACASA-N 379.446 0.144 0 50 GCAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cn(C)cn4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857724602 JTARKGMGDXXAOH-FAYLSGKYSA-N 383.456 0.088 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)NCCO)C[C@H]1NC(=O)c1cnn2cc(C)cnc12 1875245326 VKGNJAQOHNBAAC-NWANDNLSSA-N 375.429 0.060 0 50 GCAA C[C@@H](NC(N)=O)C(=O)N1CC2(CC[C@@H](NC(=O)c3c[nH]c4nccc-4c3)C2)C1 1875329949 MDTHHZKGJQZDPS-BXUZGUMPSA-N 384.440 0.682 0 50 GCAA CCOc1ccc(C(=O)N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)cc1OC 1875358417 VOGXJVYBQCNEMQ-CYBMUJFWSA-N 389.412 0.483 0 50 GCAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1S(=O)(=O)N1CCC(F)(F)C1 1875397680 KDPHXSOCORDLAN-QWRGUYRKSA-N 377.417 0.880 0 50 GCAA CN(C)S(=O)(=O)NCc1ccnc(CNC(=O)c2cncc(Cl)c2)c1 2100539732 WBNVHXFAIBAJGN-UHFFFAOYSA-N 383.861 0.956 0 50 GCAA Cc1nc(N(C)C)sc1C(=O)NCC1CN(C(=O)[C@@H](O)c2ccnn2C)C1 2325828125 ZMMZBRHDCIFALK-ZDUSSCGKSA-N 392.485 0.173 0 50 GCAA O=C(NC[C@@H](NC(=O)C1(O)CCOCC1)C1CC1)c1csc2nccn12 2325860263 AYRNDMPLOBAGQR-GFCCVEGCSA-N 378.454 0.562 0 50 GCAA CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OCC)cc1 4196068 PRXAMARFTYHWGD-AWEZNQCLSA-N 376.413 0.722 0 50 GCAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccn1 6140673 ACZMKEUNWZKQQP-UHFFFAOYSA-N 391.449 0.798 0 50 GCAA Cc1ccc(F)c(CNC(=O)CCn2nnnc2CN2CCOCC2)c1F 20998771 HUQUANCRIFQRON-UHFFFAOYSA-N 380.399 0.798 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)Cc3nc(-c4ccncc4)n[nH]3)C2)n[nH]c1=O 67868743 RQDKROVCNIGOMV-ZDUSSCGKSA-N 382.428 0.720 0 50 GCAA Cc1ncc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 77407892 UHTYWWXQNANTTB-CABCVRRESA-N 378.454 0.035 0 50 GCAA Cc1cc(C)n(CC2(CNC(=O)c3cnc(Cn4cncn4)nc3O)CC2)n1 91849371 CICWWCKQCPFKGI-UHFFFAOYSA-N 382.428 0.846 0 50 GCAA COC[C@]1(O)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)CC1(C)C 92080374 KLNZRWGMQOUIPD-LJQANCHMSA-N 375.425 0.992 0 50 GCAA Cc1nc(C2CCN(C(=O)[C@H]3CNC[C@H](C(=O)N4CCCC4)C3)CC2)no1 95365562 VEIUOYXIXNVCJN-HZPDHXFCSA-N 375.473 0.932 0 50 GCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 97173255 ONIZJGSTUPPTCB-KKUMJFAQSA-N 385.461 0.574 0 50 GCAA COCCn1nnnc1[C@@H]1CN(C(=O)c2c(C)nc3sccn23)CCO1 97785022 NWQLDHKPXDVGCI-NSHDSACASA-N 377.430 0.551 0 50 GCAA CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)C1CCN(c2cnccn2)CC1 262152558 JPSHOQIFIZCTHS-OAHLLOKOSA-N 389.456 0.475 0 50 GCAA CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 263227974 HCVSXRZSULSNOZ-APWZRJJASA-N 375.517 0.413 0 50 GCAA CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCc2ccnc(O)c2C1)C(F)(F)F 286686528 AKXUBKOXSHNEDP-NSHDSACASA-N 396.391 0.677 0 50 GCAA Cc1cnc(CNC(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cn1 426408904 HFBUXCNVNPSTGW-UHFFFAOYSA-N 396.517 0.733 0 50 GCAA CC(C)C(=O)N1CCn2nc(CNC(=O)N(C)C[C@@H]3COCCO3)cc2C1 534586801 KGSHPUJKONDFAC-MRXNPFEDSA-N 379.461 0.438 0 50 GCAA OCCO[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)C1 888097494 JRNOEGRPMLRXCA-HRCADAONSA-N 391.472 0.449 0 50 GCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)CC1 1334631879 LIQNZAYQKJZQHE-JGGQBBKZSA-N 388.443 0.878 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCCc3cnn[nH]3)C2)no1 1857683506 VOPUNNJUYLUVQP-KSSFIOAISA-N 387.444 0.187 0 50 GCAA CCC(=O)NCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857712298 ODTNPJHDVYGYGQ-RXVVDRJESA-N 389.496 0.938 0 50 GCAA Cc1nc(-c2cccc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2)no1 1875247155 RXAPSEHQTQPIAW-LSDHHAIUSA-N 394.453 0.681 0 50 GCAA CCN1N=C(C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)CC1=O 1875396342 CFMDBDZCNXTQEK-QRWLVFNGSA-N 388.468 0.363 0 50 GCAA CCCO[C@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@@H]1NC(=O)Cc1cc[nH]n1 2100483316 ZPCAPWAJVYPDIT-XIRDDKMYSA-N 378.473 0.891 0 50 GCAA COc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3nnnn3C)C2)c(C)c1C 2100540244 FQGIGAKYBRAYPS-AWEZNQCLSA-N 381.458 0.906 0 50 GCAA C[C@]1(C(F)F)C[C@H]1C(=O)N1CCN(C(=O)c2ccnc3[nH]ncc23)C[C@H](O)C1 2325878913 ADYGUDNCGRCYJV-IMQJOWEQSA-N 393.394 0.895 0 50 GCAA CC1(F)CN(C(=O)CNc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893081 HFANTSSPRSBUEH-AWEZNQCLSA-N 388.399 0.430 0 50 GCAA O=C(O)CN(C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 2325896896 JTSNERYZYPGFHU-OAHLLOKOSA-N 399.403 0.527 0 50 GCAA Brc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 1004702 IQQUOCZYOASSCG-UHFFFAOYSA-N 396.249 0.493 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC1CCNCC1)CO2 71775632 QKIQDQRPBMPTHV-MRXNPFEDSA-N 390.484 0.518 0 50 GCAA O=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCc2c(nc[nH]c2=O)C1 72133585 YGJBKKDHJVQAOF-UHFFFAOYSA-N 388.449 0.203 0 50 GCAA COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)N3CC(O)C3)c2=O)cc1 77322645 AIISJKNYOQNMEO-UHFFFAOYSA-N 394.431 0.837 0 50 GCAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 77355639 KFXPAKXZUKXJEW-LJQANCHMSA-N 375.473 0.442 0 50 GCAA CN1CCC(Cc2noc([C@@H]3CCC(=O)N(CCN4CCOCC4)C3)n2)CC1 92001885 QCULVLXHCPVWPS-QGZVFWFLSA-N 391.516 0.992 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CCC[C@H](C(=O)O)C2)nc1N1CCOCC1 96161544 SGNLQGGKRVDUNB-LBPRGKRZSA-N 378.429 0.976 0 50 GCAA CN1CCN(Cc2cc(C(=O)NCc3ccc(-n4cncn4)cc3)no2)CC1 170595064 AQIXWOLSVMHYGT-UHFFFAOYSA-N 381.440 0.933 0 50 GCAA C[C@@H]1CCCC[C@@]1(CN)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 262902443 PUJJNUKUWOHDBK-HWPZZCPQSA-N 381.458 0.220 0 50 GCAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 265831378 CNKOBFDEMYGFFT-ZWKOTPCHSA-N 395.525 0.818 0 50 GCAA COc1ccccc1C(=O)NCC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 266544286 RBZZTMVJDJNTEZ-AWEZNQCLSA-N 385.424 0.470 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC(CNC(=O)CCCn3cncn3)CC2)cn1 952972280 BWYRFJJMIPIJEY-UHFFFAOYSA-N 395.489 0.009 0 50 GCAA Cc1ccc(CN(C)CC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1615734744 FYHLMHSFYUCQPP-SJORKVTESA-N 383.514 0.138 0 50 GCAA NS(=O)(=O)CCCC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704339138 FAKGMRQFPNMUEQ-RHSMWYFYSA-N 377.466 0.665 0 50 GCAA O=C(C1CCOCC1)N1C[C@H]2CN(CCn3cc(Cl)cn3)C[C@]2(CO)C1 1772710327 QCFXKIIYANIYSH-CRAIPNDOSA-N 382.892 0.716 0 50 GCAA COCCn1ccnc1CN1C[C@@H]2CN(c3ccncc3F)C[C@]2(CO)C1 1772804546 QVBWWBKMJNITEJ-BEFAXECRSA-N 375.448 0.994 0 50 GCAA CN(C)C(=O)CN1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857685787 UBTZCLFLMZHXQP-IBGZPJMESA-N 375.473 0.387 0 50 GCAA CCN1CCC(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)[C@@H]2CC=CCC2)CC1 2332237919 QOYJABRQISLPKD-DJIMGWMZSA-N 397.541 0.473 0 50 GCAA O=S1(=O)CC[C@H](N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 19792618 RJOWWXHGDLMCLO-INIZCTEOSA-N 376.482 0.965 0 50 GCAA CN1CC2(CCN(S(=O)(=O)c3ccc(C(=O)O)n3C)CC2)C[C@@H]1C(=O)O 72165101 NOEGFMJFSPGULC-GFCCVEGCSA-N 385.442 0.283 0 50 GCAA COc1cccc(OC)c1CN1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72480488 NAENBWSKSCTROS-JKSUJKDBSA-N 394.493 0.924 0 50 GCAA CN(C)C(=O)CN1CCN(Cc2cc(F)ccc2F)[C@H]2CS(=O)(=O)C[C@H]21 77375683 SXICSJXSOZCACM-JKSUJKDBSA-N 387.452 0.336 0 50 GCAA COc1coc(C(=O)N2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)cc1=O 91550820 FBHXADPEOSCWAD-ZDUSSCGKSA-N 378.425 0.874 0 50 GCAA CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 91665552 AXUDHOKFGDEOJM-CABCVRRESA-N 375.473 0.796 0 50 GCAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCN1Cc3ccccc3C1=O)CC2 91808521 DJRCNEMYYFDOPA-MSOLQXFVSA-N 387.480 0.750 0 50 GCAA CNC(=O)CNS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)cc1 91951796 HLFSAXZDINUBLT-UHFFFAOYSA-N 376.438 0.078 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1nonc1C)CC2 95531623 ZSMNTDDKVDDFEX-UHFFFAOYSA-N 388.428 0.193 0 50 GCAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OC)c(CO)c2)c1O 253623773 KNJMBPDXYVTLQR-LLVKDONJSA-N 376.365 0.788 0 50 GCAA biogenic CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1 268440197 CMWHGQZCJNJESA-INIZCTEOSA-N 399.494 0.976 0 50 GCAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CCO2)cn1 275215206 BKBYERKCQNNNMS-QGZVFWFLSA-N 390.465 0.951 0 50 GCAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccon1 299763295 ZRAUTZDHKWWNIC-INIZCTEOSA-N 376.457 0.754 0 50 GCAA CCN(C1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1)S(=O)(=O)[C@H]1CCO[C@@H]1C 330065461 DCBRYXXTISPZTP-GBOPCIDUSA-N 396.531 0.007 0 50 GCAA Cc1cc(C)n(CC(=O)N2CCC(CNC(=O)c3ccc(=O)n(C)n3)CC2)n1 1506418584 SCOARQRIEZLALP-UHFFFAOYSA-N 386.456 0.262 0 50 GCAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1N1CCNC1=O 1704302509 NQTFBNHCTGALMG-CRAIPNDOSA-N 381.436 0.990 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C[C@@H]2O)on1 1704338579 VAQQHTBOAZMCSA-BMIGLBTASA-N 383.401 0.445 0 50 GCAA COCCNc1nc2cc(C(=O)N3CCC([C@@H](O)CO)CC3)ccc2n1C 1772815085 DCAHOHOHMUUYQR-KRWDZBQOSA-N 376.457 0.837 0 50 GCAA COCC(=O)N1CCN(C(=O)NCc2cccn2C)CCC12CCOCC2 1775962799 GSMNGIJGZVUNKT-UHFFFAOYSA-N 378.473 0.965 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)NCCc1cccc(C)c1)C2 1857528385 GANCJFIEEIJENX-HNNXBMFYSA-N 379.482 0.482 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)C[C@H]2CO1 1857684034 WQBKTEIMXTYAED-KKUMJFAQSA-N 390.440 0.857 0 50 GCAA COCC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCn2nc(C)c(C)c2C)C1 1857688148 VQIXKUYWVNWDGQ-PXNSSMCTSA-N 391.516 0.684 0 50 GCAA N=c1[nH]cc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)s1 1857697948 RKPKUDLDELELLW-UWVGGRQHSA-N 380.451 0.510 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1nnc2n1CCCCC2 1857701290 OGYJUBXQRJPGHP-NHAGDIPZSA-N 396.517 0.251 0 50 GCAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(OC(F)(F)F)cn2)NC(=O)NC1=O 1875273520 DVUQNIDIEPLCNZ-CQSZACIVSA-N 398.301 0.178 0 50 GCAA Cn1cncc1-c1cn(-c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875356044 RVZZEYREVMYEDE-HNNXBMFYSA-N 391.391 0.429 0 50 GCAA C[C@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1cccc(-n2ccnn2)c1 1875400070 QHGDPIOVKZKBMF-GOEBONIOSA-N 395.467 0.594 0 50 GCAA O=C1CCCN1CCCNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 12473240 NZZVEHGJOXOOMQ-IBGZPJMESA-N 391.512 0.861 0 50 GCAA Cc1ccc(CN2CCN(C(=O)c3cccnn3)[C@H]3CS(=O)(=O)C[C@H]32)o1 77459495 NKKCGBUGUIJRFQ-CVEARBPZSA-N 376.438 0.502 0 50 GCAA O=C(O)[C@@]12CN(CCO)C[C@@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 96136115 PCXQNBBZWCKGFP-VQIMIIECSA-N 375.473 0.278 0 50 GCAA COCCN1CC[C@]2(CCC1=O)CN(c1nccc(N(C)C)n1)CCN2C 108018133 QBFWILASWQLLFG-LJQANCHMSA-N 376.505 0.692 0 50 GCAA CCn1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NCCOC)n1 239174147 PJNFZMTTYSKUHV-AUZPSNTRSA-N 376.413 0.741 0 50 GCAA CCN1CCN([C@@H](C)CNS(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 253432757 NKTLOKPVOUUJQE-WMZOPIPTSA-N 388.578 0.723 0 50 GCAA Cc1cc(=O)n(CCN2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)n1 253536719 MFEWYYOMVSPCEM-UHFFFAOYSA-N 378.454 0.264 0 50 GCAA CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C1 299742142 HCXCGBVJNAEADF-WBMJQRKESA-N 393.465 0.951 0 50 GCAA O=C(NCCS(=O)(=O)NCc1ccccc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 374246498 YDSLAYWLHHKVPG-KSWRQPAISA-N 379.482 0.517 0 50 GCAA Cc1cccnc1CN1CCN(C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)CC1 823668404 FAEIIEUOJLGWKG-KRWDZBQOSA-N 394.541 0.543 0 50 GCAA COC(=O)CNC(=O)CC1(N2Cc3ccccc3C2=O)CCN(C(C)=O)CC1 952987056 OWOGHZLORUCVNJ-UHFFFAOYSA-N 387.436 0.703 0 50 GCAA NC(=O)c1cccnc1N1CCN(c2cncc(C(=O)N3CCCC3)n2)CC1 1529172014 CUKVIRFMJFPCNN-UHFFFAOYSA-N 381.440 0.533 0 50 GCAA COc1ccc(CNC(=O)N2CC3(C2)[C@@H](C(N)=O)CCS3(=O)=O)c(F)c1 1857528369 MMPRGEUJTSQDDT-GFCCVEGCSA-N 385.417 0.018 0 50 GCAA COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)c1ccn3ncnc3c1)CC2 1857699877 BTGPZGCIRZSTRJ-UHFFFAOYSA-N 383.364 0.082 0 50 GCAA O=C(CN1C(=O)CNC1=O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857730838 ZIUQOCNJDQYNIZ-HZPDHXFCSA-N 387.436 0.812 0 50 GCAA CC(C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cn1 1857739782 SCBSKQSCIDOINO-PMPSAXMXSA-N 390.488 0.347 0 50 GCAA CNC(=O)CN(C[C@@H]1C(C)(C)C1(F)F)C(=O)CCCCN1C(=O)C=CC1=O 1875386889 CMISUQQGCXSCKA-GFCCVEGCSA-N 385.411 0.948 0 50 GCAA CCn1ncc(NS(=O)(=O)c2cnn(C)c2)c1C(=O)Nc1cnn(C)c1C 2804574 GEOCXVFJGWCGHO-UHFFFAOYSA-N 392.445 0.732 0 50 GCAA COCCCNCc1ccc(OC)cc1OC[C@@H](O)CN1CCN(C)CC1 23361115 PVLQBKCXGVKDRV-SFHVURJKSA-N 381.517 0.808 0 50 GCAA COc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)c1 35800910 NZEQQNXRFVKSGA-INIZCTEOSA-N 377.441 0.966 0 50 GCAA CCNc1ncc(CN2CCN(Cc3c[nH]cn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72476018 FMQPHYRGIKAGJI-JKSUJKDBSA-N 391.501 0.115 0 50 GCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 77299162 MRKANEXDUZAURY-LSDHHAIUSA-N 386.495 0.186 0 50 GCAA Cc1nnsc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1 82230387 BHIXJYJPJFPMMC-UHFFFAOYSA-N 388.501 0.351 0 50 GCAA Cn1nccc1CCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95377160 KVOXUARQFJPPAU-UHFFFAOYSA-N 378.454 0.414 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)NCc1ccc2c(c1)CCCO2 95531199 UXFQETVPXRCMOW-UHFFFAOYSA-N 386.456 0.537 0 50 GCAA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nn[nH]n1 218294456 NAPTYYLMCUPJDZ-OAHLLOKOSA-N 375.348 0.953 0 50 GCAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](O)C3CC3)cc2)C[C@@H](C)O1 229881506 PRSDKPGZKPDOEE-IIYDPXPESA-N 382.482 0.985 0 50 GCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@H](N)C2)CC1 237343339 MXJYKKCVFDHRMU-GJZGRUSLSA-N 380.514 0.761 0 50 GCAA O=C(NCCOc1cncc(Cl)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 239653759 BLFYZRTYPVNUGN-UHFFFAOYSA-N 382.829 0.728 0 50 GCAA COc1cc(OC)cc(N2C[C@H](C(=O)NCCN3CCN(C)CC3)CC2=O)c1 267789076 XXMNRYPDYYVJOQ-OAHLLOKOSA-N 390.484 0.420 0 50 GCAA O=C(c1ccnc(OCC(F)F)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 270191022 CHGCGMOKMWTHGI-ZDUSSCGKSA-N 389.424 0.670 0 50 GCAA O=C1CC[C@@H](N2CCN(C(=O)[C@@H]3CSCN3C(=O)C3CCC3)CC2)CCN1 333580957 ZTBBOHXNWHMVPS-CVEARBPZSA-N 394.541 0.501 0 50 GCAA CCn1nc(C)c(S(=O)(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1C 370309989 OKEVNUIVVVSCRR-MRXNPFEDSA-N 383.474 0.519 0 50 GCAA CCn1cnnc1[C@@H](C)NC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 534660582 RICDKBJGBYPKAW-CYBMUJFWSA-N 384.448 0.637 0 50 GCAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)N1C[C@H](N2CCCC2)C[C@H]1C 888102593 IXBLMOMMWVERJY-IUODEOHRSA-N 381.502 0.806 0 50 GCAA COCC(=O)N1CC[C@]2(C(=O)NCCc3nnc(C)s3)CCCN(C)[C@H]2C1 1775983298 JVEZBNPWJHAVGQ-KBXCAEBGSA-N 395.529 0.465 0 50 GCAA O=C(N=c1[nH]nc(S)s1)c1ccc(S(=O)(=O)N2CCOCC2)o1 1857800071 BZBGEABJSJYFQU-UHFFFAOYSA-N 376.441 0.115 0 50 GCAA Cn1cnc2cnc(N[C@H]3C[C@H]4COc5ccccc5S(=O)(=O)N4C3)nc21 2100554967 JMXDWVORVXQOLP-RYUDHWBXSA-N 386.437 0.999 0 50 GCAA CC1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)CC[C@@H]2CCOC2)CC1 2332237632 FFEIOOKSLSLKFR-BZUAXINKSA-N 386.514 0.591 0 50 GCAA NS(=O)(=O)CCCC(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 71753526 DFGBTHRDMQQVPR-UHFFFAOYSA-N 376.438 0.390 0 50 GCAA O=C(CN1CCOCC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95519383 ANUBEWQZNPUQSI-UHFFFAOYSA-N 387.484 0.354 0 50 GCAA CN1CCN(Cc2nnc(C3CCN(Cc4cccnc4N)CC3)n2C)CC1 96131894 XXAXUGMZHVIZOZ-UHFFFAOYSA-N 384.532 0.919 0 50 GCAA CCn1nccc1N1CCC[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1=O 189967327 RZHYVMRUPZEPHB-OAHLLOKOSA-N 394.439 0.868 0 50 GCAA COC(=O)[C@@]1(CO)N[C@@H](c2c(F)ccc(C)c2Cl)[C@H]2C(=O)N(C)C(=O)[C@H]21 209902393 OKMCADVMEMMHOK-BTIUKSQHSA-N 384.791 0.567 0 50 GCAA Cc1cc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c3c(c(=O)oc2c1)CCCC3 254617353 NEDWMPSWHZWUBC-IIEIJDNYSA-N 392.404 0.159 0 50 GCAA COC(=O)c1cn(CC(=O)NCCc2nc(C(C)C)no2)cc2c(=O)[nH]nc1-2 263588643 WMWZBZNXGHDNKJ-UHFFFAOYSA-N 388.384 0.328 0 50 GCAA O=C(O)c1cc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc2c1OCCO2 366823912 VXRBPJPQISCADD-ZYHUDNBSSA-N 382.394 0.055 0 50 GCAA CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[C@H]2C1 408026895 HMDNDKUBDPQJAH-HOTGVXAUSA-N 388.511 0.325 0 50 GCAA CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1 888096667 HASDPIYACOWCFF-UHFFFAOYSA-N 389.455 0.115 0 50 GCAA CC1(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)NCCO)cc23)COC1 1857683714 MGXWXUNTRVVRIX-UHFFFAOYSA-N 394.493 0.897 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1cnc(C)nc1 1875245225 QHUQXFBDBDPZOT-NWANDNLSSA-N 377.445 0.080 0 50 GCAA Cc1nn(CC(=O)N2CCc3nc(C(N)=O)cn3CC2)c(=O)c2ccccc12 1875251542 SJFFYJTXAWNVAG-UHFFFAOYSA-N 380.408 0.085 0 50 GCAA CCn1ccc(C(=O)NCc2cc(CNC(=O)c3ncc[nH]3)ccn2)cc1=O 2100547408 JBMJYBUIWMYJRQ-UHFFFAOYSA-N 380.408 0.846 0 50 GCAA CC(=O)N1CC(C(=O)N2CCCC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)C1 2325864266 KSSXKZHTWFHIGY-KRWDZBQOSA-N 386.452 0.375 0 50 GCAA O=S(=O)(C[C@@H]1COCCO1)N1CCc2nc(-c3ccccc3)nn2CC1 2356149648 NUDNDBJREXDWMX-HNNXBMFYSA-N 378.454 0.548 0 50 GCAA CCS(=O)(=O)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC1CC1)O2 1399650 FWYZCOZYHQZYKQ-CQSZACIVSA-N 388.467 0.286 0 50 GCAA COC(=O)CN(C)Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 11879699 RYBUPMZICTVIAS-INIZCTEOSA-N 382.457 0.372 0 50 GCAA O=C(NCCOc1cccnc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 19795133 CBOZSIFOBBGLLM-KRWDZBQOSA-N 390.484 0.538 0 50 GCAA CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 32701250 MBERVXSUPCDRCF-QGZVFWFLSA-N 381.498 0.634 0 50 GCAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cn3cccnc3n1)CC2 92001467 ASXSLSKRJJFXGG-UHFFFAOYSA-N 379.424 0.989 0 50 GCAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N3CCSCC3)c2)n[nH]1 95371085 DCIUBIICTPHSCO-UHFFFAOYSA-N 381.483 0.781 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)c1=O 95392714 SDILDDYJOMVYFI-DOTOQJQBSA-N 396.447 0.266 0 50 GCAA CCOc1ccc(C(C)=O)cc1NC(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 96138881 PYRWCQDXZWONSM-HIFRSBDPSA-N 388.424 0.851 0 50 GCAA COCCN1C(=O)c2ccc(C(=O)N3C[C@H](C)N[C@@H](C)C3)cc2S1(=O)=O 299738641 DLIHZGOBUZBTOV-RYUDHWBXSA-N 381.454 0.300 0 50 GCAA Cn1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 299800679 UYYCSPZGFXIDPA-SFHVURJKSA-N 389.500 0.499 0 50 GCAA Cn1c(N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)nc2c1c(O)nc(=O)n2C 333430070 KUAANXBIQJKIOL-AOOOYVTPSA-N 391.334 0.679 0 50 GCAA O=C(O)[C@H]1CN(C(=O)CCn2ccc(O)nc2=O)C[C@@H]1c1cccc(F)c1 1565509382 NALXMEGUDFHMFM-KGLIPLIRSA-N 375.356 0.805 0 50 GCAA CN1CCC[C@]2(CO)CCN(C(=O)COc3ccc(-n4cnnn4)cc3)C[C@@H]12 1704299448 POQRMJHADQOHOH-IEBWSBKVSA-N 386.456 0.346 0 50 GCAA CCOCC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)CC1 1704355372 RZOMHOZIIUQWRH-NVXWUHKLSA-N 376.457 0.114 0 50 GCAA CC[C@@H]1[C@H](C(=O)NCc2cnc(C)cn2)C[C@@H]2CN(Cc3cnc[nH]3)CC(=O)N21 1857685768 SOPFVFMJWGVJFF-KZNAEPCWSA-N 397.483 0.636 0 50 GCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C[C@@H]12 1857700856 NDDOVUKHORTHAZ-RCBQFDQVSA-N 394.472 0.820 0 50 GCAA Cn1c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc(=O)n(C)c1=O 1857723723 SKBKZKLVPWKHRE-HLLBOEOZSA-N 384.436 0.028 0 50 GCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(CCN4CCNC4=O)CC3)n[nH]c21 1875394737 VBGOKPQFIMUHGS-OLZOCXBDSA-N 376.461 0.215 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3CCO[C@@H](c4nnnn4C)C3)CC2)c1 2100548201 WZSDRRRHCUQNPV-QGZVFWFLSA-N 385.472 0.241 0 50 GCAA O=C(Cc1c[nH]nc1O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166683 IXSOYXYLUNMJKR-SPYBWZPUSA-N 376.457 0.945 0 50 GCAA CCOC(=O)COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC 1069268 WWAPLOILMHIAQS-UHFFFAOYSA-N 388.380 0.578 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)NCCc2ccccc2F)C[C@@H](C)O1 19838966 XTOFGARQHFBEMW-OKILXGFUSA-N 376.436 0.780 0 50 GCAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNCc1cc(=O)[nH]cn1 67675541 SZUHWTSQDKZBPX-GOSISDBHSA-N 378.379 0.691 0 50 GCAA COc1cccc(CN2CCC[C@@](O)(CN3CCNC(=O)CC3)C2=O)c1OC 67692522 DEQAWDMOCTUXAH-HXUWFJFHSA-N 391.468 0.379 0 50 GCAA O=C(CN1C[C@H]2C(=O)N(CC3CC3)C[C@@]2(C(=O)O)C1)NCc1cccs1 77287412 VGBGLBXXWMFUDP-KSSFIOAISA-N 377.466 0.619 0 50 GCAA Cc1ccc([C@@H]2CN(C(=O)c3cn(CCN)nn3)C[C@H]2NC(=O)C2CC2)cc1 77379671 RYAIGBQRAFYGDW-DLBZAZTESA-N 382.468 0.680 0 50 GCAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NC[C@]2(O)CCNC2)c1 95360256 SJEDYCPWJIVEKB-SFHVURJKSA-N 375.450 0.942 0 50 GCAA CC(C)c1cncnc1N1CC[C@@]2(O)CCN(S(=O)(=O)N(C)C)C[C@H]2C1 95380731 UGHQVWLDFIPWOE-RHSMWYFYSA-N 383.518 0.670 0 50 GCAA CCN(C)C(=O)c1cccc(S(=O)(=O)NCCc2nc(C)cc(=O)[nH]2)c1 95388379 BQYJTTXTFPURNG-UHFFFAOYSA-N 378.454 0.691 0 50 GCAA Cn1c(N2CCc3[nH]c(-c4ccccc4)nc3C2)nc2c1c(=O)[nH]c(=O)n2C 95507384 WKPHHDBWGIVRMR-UHFFFAOYSA-N 377.408 0.913 0 50 GCAA COCCn1c(CN2CCC3(CCC(=O)N3C)CC2)nnc1[C@H]1C[C@@H](N)C1 244708212 KPMWOTQCLLIKOA-GASCZTMLSA-N 376.505 0.716 0 50 GCAA CC(=O)N1CCN(c2nc3c(c(N4CCN(C(C)=O)CC4)n2)SCC3)CC1 285800364 YEDSKLBPIUULRI-UHFFFAOYSA-N 390.513 0.462 0 50 GCAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CC[C@@H](Oc2cccnc2)C1 328615464 YNPZSPFYPUYQEK-LLVKDONJSA-N 389.393 0.673 0 50 GCAA COc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)c(OC)n1 426465374 YQTKNNHJKVNMBV-ZIAGYGMSSA-N 378.454 0.921 0 50 GCAA C[C@H](CS(C)(=O)=O)N1CCOC2(CCN(C(=O)Cc3cccnc3)CC2)C1 827921419 UTRHQHDTTFNSLI-MRXNPFEDSA-N 395.525 0.751 0 50 GCAA CCn1cc(CN2C[C@@H]3CN(C(=O)c4ccc5nn[nH]c5c4)C[C@@]3(CO)C2)cn1 1772818787 YHMSKHNFKBXGFS-OXQOHEQNSA-N 395.467 0.741 0 50 GCAA O=C1CC2(CCN(c3ncccn3)CC2)OCCN1CC[C@@H]1COCCO1 1857690972 XCYQAZHKZLDHBU-MRXNPFEDSA-N 376.457 0.870 0 50 GCAA O=C1CN(C(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCN1 1857700833 IKOBIJTZTXXEPT-CYBMUJFWSA-N 385.449 0.440 0 50 GCAA Cn1cc(CCNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)cn1 1875247157 RXCXMTUIASVIIN-BZSNNMDCSA-N 398.463 0.583 0 50 GCAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)NC[C@H]2CN(C(N)=O)CCO2)n1 2325757378 ZFODZOXPBGFAFZ-LBPRGKRZSA-N 377.376 0.535 0 50 GCAA CCO[C@H](C(=O)N1CC[C@@H](NC(=O)c2cn(C[C@@H](O)CC)nn2)C1)C(C)C 2325827306 BQQYNZJZUOKIKQ-YCPHGPKFSA-N 381.477 0.441 0 50 GCAA CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)[C@H]2CC=CCC2)C1 2332237747 KEIUVMQTIDUZDD-AALSBFMBSA-N 384.498 0.508 0 50 GCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c(-n4cnnc4)n3)C1)CC2 2356144390 VKWDPWWEPVDOJB-SFHVURJKSA-N 394.443 0.362 0 50 GCAA CNS(=O)(=O)CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67446929 ACVGAIFTECPKJY-QGZVFWFLSA-N 375.535 0.449 0 50 GCAA Cc1nn(CC(=O)N(C)Cc2cnc(N)nc2)c(=O)n1CCc1ccccc1 77458704 OPERDDJWKNELFL-UHFFFAOYSA-N 381.440 0.627 0 50 GCAA Cc1nc(C)c(CC(=O)N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)s1 77504677 MFZQMDYNFHZIKV-TZMCWYRMSA-N 375.454 0.484 0 50 GCAA Cn1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NCC(C)(C)O)c2)n1 294488661 AMCNCDMYIUZSCK-UHFFFAOYSA-N 388.471 0.270 0 50 GCAA O=C1NCC(=O)N2C[C@H](NC(=O)N(CCCO)Cc3ccccc3Cl)C[C@@H]12 584901539 PXFNDXHXWCZGSO-HIFRSBDPSA-N 394.859 0.333 0 50 GCAA O=C(N1CCCC1)N1CCC[C@@H](C(=O)N2CCSC[C@H]2c2nn[nH]n2)C1 907478801 WGLSJHMFXFLVMG-OLZOCXBDSA-N 379.490 0.744 0 50 GCAA O=C(Cc1cccs1)NCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 952977238 PMJHAHKAVBCCQJ-ZDUSSCGKSA-N 378.454 0.244 0 50 GCAA COC[C@@H](NC(=O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)c1ccccn1 1506395226 DTHDEGDHDFSQNM-OAHLLOKOSA-N 382.424 0.738 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCc3n[nH]cc3C2)cc1OC 1529154094 HDGUGPBFPDZDNE-MSOLQXFVSA-N 386.408 0.568 0 50 GCAA CCC[C@H]1CN(C(=O)CSc2nnc(N)s2)C[C@@H]1NS(C)(=O)=O 1565525288 USCWALKFBLKYEC-IUCAKERBSA-N 379.533 0.389 0 50 GCAA Cc1cccc(N(CC(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)S(C)(=O)=O)c1 1704332120 OZFHJINXQJEMHY-CALCHBBNSA-N 396.421 0.149 0 50 GCAA Cc1ccccc1CNC(=O)CN1C[C@H]2CN(Cc3cncnc3)C[C@@]2(CO)C1 1772806129 ZEVYOOXKKCBBON-IRLDBZIGSA-N 395.507 0.828 0 50 GCAA COc1ccc([C@@H]2[C@H](C(=O)NC3CCC3)C[C@@H]3CN(CCO)CC(=O)N23)cc1 1857692244 VUVDLBBWJVWXMI-YVWKXTFCSA-N 387.480 0.930 0 50 GCAA CN(C)C[C@@H]1OCCN(C(=O)Cn2nc3ccccc3n2)[C@H]1c1cnn(C)c1 1857734932 ZHYXXUZZJPLAFX-HKUYNNGSSA-N 383.456 0.695 0 50 GCAA Cc1cc(C)n(CC(=O)N[C@H]2C[C@H](C(=O)NCc3c(C)noc3C)C[C@@H]2O)n1 1940196559 RXQVAQYUMXVYRH-XIRDDKMYSA-N 389.456 0.677 0 50 GCAA O=C(N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@@H]1O)c1ccc(-n2ccnc2)cc1 2100555602 YQVBITYBWGWTQG-SZMVWBNQSA-N 384.436 0.600 0 50 GCAA O=C(O)c1cnn(C[C@H]2C[C@@H](O)[C@H](NC(=O)c3cnc4c(c3)CCCO4)C2)c1 2325786171 MEBVFUHHJJGZPR-HFBAOOFYSA-N 386.408 0.871 0 50 GCAA Cc1cc(C)n(CC(=O)N2CCc3nc(C4CCOCC4)nn3CC2)c(=O)n1 2356152459 KKFLAOCBMVGTTR-UHFFFAOYSA-N 386.456 0.431 0 50 GCAA CCn1cc(NC(=O)c2c(I)cnn2C)c(C(N)=O)n1 2776915 MISHNRNZRYLCKJ-UHFFFAOYSA-N 388.169 0.592 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3cccc(F)c3F)nn2)CN1 67821731 QKUUZWDPGOJZJJ-MFKMUULPSA-N 392.410 0.870 0 50 GCAA Cc1nn2cc(CNC(=O)C[C@@H]3C(=O)NCCN3CC(C)(C)C)nc2s1 67847520 QCOUQPAEKKZWEN-CYBMUJFWSA-N 378.502 0.952 0 50 GCAA Cn1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1=O 71730216 VDKBMRHNUXSVJM-OAHLLOKOSA-N 386.496 0.981 0 50 GCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3nc(C(N)=O)cs3)CC2)C1 71747252 LDQYKROHQQCAAR-ZDUSSCGKSA-N 395.529 0.685 0 50 GCAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc(-n3cnnn3)cc1O)C2 72163393 RESHYMVTYMRYGU-UHFFFAOYSA-N 380.412 0.731 0 50 GCAA O=C(Cn1cnnn1)N1CCc2cccc(S(=O)(=O)N3CCCC3)c2C1 77426026 IRQWHVMVBATDPS-UHFFFAOYSA-N 376.442 0.043 0 50 GCAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@H]13)O2)N1CCSCC1 77516621 AMXJVXOFFAXAJG-CLWJZODNSA-N 391.537 0.830 0 50 GCAA CN1CCN(C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)C[C@H]1CCO 95379754 AHPBKNPEBZRDKL-MRXNPFEDSA-N 387.484 0.549 0 50 GCAA CCN1CCN(CC(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)C(=O)C1=O 95507657 UTRFIZSNBNVEKD-ZDUSSCGKSA-N 377.445 0.590 0 50 GCAA CCOCCC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 96137457 DCOPVICGCPICCE-UHFFFAOYSA-N 378.521 0.695 0 50 GCAA COc1ccccc1CC(=O)N1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)O)C1 96142223 PSGQZOKNEIFDTQ-CXAGYDPISA-N 382.438 0.042 0 50 GCAA CC(C)[C@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)N1CCN(C)CC1 187191308 IVTMOLZNDTVETN-AWEZNQCLSA-N 379.477 0.699 0 50 GCAA Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H](CO)Cc3ccc(F)cc3)C2=O)n1 271133838 STFNBHABMVODER-JKSUJKDBSA-N 389.431 0.957 0 50 GCAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc[nH]n1 299792729 FPRQCXHUGLHEET-INIZCTEOSA-N 375.473 0.489 0 50 GCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)C(O)=NCC3)C[C@@H]1c1ncc[nH]1 328615020 APRVDIPCOZTJER-OAHLLOKOSA-N 375.454 0.948 0 50 GCAA CN(C)c1ncccc1CNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 365117064 NNVVGPOGQMIUMX-HNNXBMFYSA-N 381.502 0.857 0 50 GCAA O=S(=O)(N1CCOCC1)N1CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506403508 BXZHIUIWBKWOOC-SFHVURJKSA-N 380.514 0.460 0 50 GCAA CN1C[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc3nc(O)n(C)c(=O)c3c1)C2 1565512098 SEIVKCKGIGTTIE-RYUDHWBXSA-N 378.454 0.354 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1n[nH]c2c1CCCC2 1704298449 HAGNQGHGIJBKDJ-BLLLJJGKSA-N 384.502 0.244 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 1704298930 LTTZRIIORFMFFA-AAEUAGOBSA-N 378.397 0.924 0 50 GCAA COc1cc(F)c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(F)c1 1704326031 ROKIZQZJSIMEGY-TVQRCGJNSA-N 378.397 0.610 0 50 GCAA COCCC(=O)N1C[C@H]2CN(Cc3nc(-c4ccco4)no3)C[C@@]2(CO)C1 1772700609 HDYNSOMHGACNBE-ACJLOTCBSA-N 376.413 0.619 0 50 GCAA O=C(CSc1ccncc1)N1CCCN(C(=O)CN2CCOC2=O)CC1 1772706843 UVNVXVZXFVNFEH-UHFFFAOYSA-N 378.454 0.687 0 50 GCAA O=C(O)c1cnc(N2C[C@@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@]3(CO)C2)cn1 1772817335 CHDVYTGZQXWRTP-RBZFPXEDSA-N 394.435 0.982 0 50 GCAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(-c3cc[nH]n3)s2)NC(=O)NC1=O 1775985554 QAOQDVRRZPBFQN-MRXNPFEDSA-N 385.409 0.336 0 50 GCAA CN(C)CC(=O)NCC[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)nn1C 1857672251 FBGFUGQSUOSVCM-QGZVFWFLSA-N 399.495 0.996 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)[C@@H](N)c2ccccc2C(F)(F)F)N1C 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N[C@]1(c2ccccc2)CCN(C(=O)C(=O)N=c2ccn(-c3ccncc3)[nH]2)C1 2325856097 ANUJMOJNPXJONQ-HXUWFJFHSA-N 376.420 0.714 0 50 GCAA CN(Cc1ccccc1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[C@H]1CCCO1 2332238040 WGUTYMWDNFDZAC-BRWVUGGUSA-N 394.493 0.744 0 50 GCAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2cccc3ncnn23)CC1 2356170044 RVPCUXCOLPAHBE-UHFFFAOYSA-N 378.502 0.968 0 50 GCAA CN1N=C(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)CCC1=O 12572880 HWUNZOVDYSQKAX-GFCCVEGCSA-N 398.510 0.873 0 50 GCAA COCCn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C 13152773 RFCPOFYEHHXOTG-UHFFFAOYSA-N 383.452 0.638 0 50 GCAA CN1CCN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 19810365 MJTVMRMABCOTHJ-UHFFFAOYSA-N 390.303 0.989 0 50 GCAA COc1ccc(-n2ccnc2CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72408792 UESRGVBUGCGXEA-SJORKVTESA-N 376.482 0.794 0 50 GCAA CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)N1CCNC(=O)C1 77391720 CBKXBTLDRDJJAG-UHFFFAOYSA-N 377.832 0.598 0 50 GCAA O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCc2ccoc2)c1 95364638 ZTOZFWMURPJBDE-HNNXBMFYSA-N 380.422 0.903 0 50 GCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1COC[C@H]1Cc1cc(C)no1 95374794 QQFQOAIMVKULPU-ABAIWWIYSA-N 395.437 0.627 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccn1)CC2 95527581 YKXFSXWBBROIHK-UHFFFAOYSA-N 383.452 0.896 0 50 GCAA Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(=O)n(C)c1=O 135808647 UFISEWLPHJBTOD-CQSZACIVSA-N 377.466 0.898 0 50 GCAA Cc1cc(S(=O)(=O)N(CCO)CCO)ccc1I 231430732 JLVXRMWWADLQQJ-UHFFFAOYSA-N 385.223 0.575 0 50 GCAA CS(=O)(=O)C1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCOCC1 292371931 VRBPRGLIXPJZEU-UHFFFAOYSA-N 386.495 0.626 0 50 GCAA CS(=O)(=O)N1CCCN(C(=O)c2cccc(-c3cc(N)ncn3)c2)CC1 299797923 TYQZKOLACZWRRL-UHFFFAOYSA-N 375.454 0.833 0 50 GCAA O=C(Cn1cccn1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299799869 VCRDLOXCNOMMAV-GOSISDBHSA-N 389.500 0.349 0 50 GCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CCCCn3nnnc32)cc1 670446906 VTQJCNUCLRLZOU-HNNXBMFYSA-N 392.485 0.734 0 50 GCAA O=C1CN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)[C@H]2CCCC[C@@H]2N1 888097405 IIKSWMHSRZHLQN-KBPBESRZSA-N 386.456 0.380 0 50 GCAA CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1 952869883 OEVXRGKDKXWBRE-UHFFFAOYSA-N 381.458 0.454 0 50 GCAA O=C(CN1CCOC1=O)NCC1CCN(c2nnnn2-c2ccccc2)CC1 952971275 GIXBDWPPLGAULP-UHFFFAOYSA-N 385.428 0.447 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1 1506428576 PRNCSVJEUUQFKI-MRXNPFEDSA-N 381.498 0.514 0 50 GCAA COc1ccc(Cl)cc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529142002 CDXKMIFXCPEBOK-GXFFZTMASA-N 376.862 0.673 0 50 GCAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@H]2CN(C(=O)C3CCC3)C[C@]2(CO)C1 1772706448 CPKZRBPNEKRCKM-FOIQADDNSA-N 396.451 0.355 0 50 GCAA Cc1cnc(C(=O)N2C[C@@H]3CN(C4CSCCSC4)C[C@]3(CO)C2)cn1 1772806505 FVUQBGURXNKGNB-KBXCAEBGSA-N 394.566 1.000 0 50 GCAA CCn1ccc(CN2CCOC3(CCN(CCn4cnnc4)CC3)CC2=O)n1 1857687489 UDZFROXSDBKISD-UHFFFAOYSA-N 387.488 0.778 0 50 GCAA Cn1cncc1C(=O)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857707814 KYMUIPINZQDJKA-FQEVSTJZSA-N 398.467 0.873 0 50 GCAA CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cc(=O)n(C)c(=O)n1C 1875262218 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O[C@@]1(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)CNCCOC1 77454986 MRWWZISTBQPRGU-GOSISDBHSA-N 375.498 0.678 0 50 GCAA O=C(O)[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccc2c(c1)OCO2 91872557 ORPYWDVISHHVFF-LSDHHAIUSA-N 376.409 0.764 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CN2CCOC2=O)CN1Cc1ccc(C)o1 95505423 FBBKEBWZPSEPNI-HIFRSBDPSA-N 378.429 0.235 0 50 GCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 225751264 YKWGOEPMXPEGRS-MQYQWHSLSA-N 386.364 0.652 0 50 GCAA O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244899580 ZMHGHWPCMMIMQZ-WKILWMFISA-N 388.468 0.868 0 50 GCAA CN(C)S(=O)(=O)c1ccc(C(=O)NCCC(=O)O)cc1Br 262210063 JPGHTTCJQUWIQD-UHFFFAOYSA-N 379.232 0.904 0 50 GCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)ccc21 275226699 CUMGQPMEQGFMBK-LBPRGKRZSA-N 375.454 0.614 0 50 GCAA COc1cc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(Cl)cc1C(=O)O 278645705 JJFISKSEXJGBKD-OAHLLOKOSA-N 388.829 0.948 0 50 GCAA CNC(=O)c1noc(CNC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)n1 584893120 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O=C(c1c[nH]c(=O)cn1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67867027 MJCPMWMUTQKORA-UHFFFAOYSA-N 380.408 0.723 0 50 GCAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CC1 72169725 PEJBHKWETBTRKA-QGZVFWFLSA-N 399.495 0.858 0 50 GCAA Cc1ccc(-n2nc(C(=O)N3CCc4nc[nH]c4[C@H]3C(=O)O)c(O)cc2=O)cc1 72476052 XGJWUPPNBYFETK-KRWDZBQOSA-N 395.375 0.794 0 50 GCAA CCn1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c(C)n1 91535758 GAWISRPCSSIMCV-UHFFFAOYSA-N 380.474 0.503 0 50 GCAA O=C(C[C@H]1CNCCO1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95522791 SBGOMONATXYRCA-HNNXBMFYSA-N 387.484 0.401 0 50 GCAA CNC(=O)c1ccc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)o1 96132500 MXCSVELYCVLEQY-DJJJIMSYSA-N 377.441 0.637 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCNC3)CC2)cc1 237844132 DDRPGAIAXKANKZ-INIZCTEOSA-N 380.514 0.170 0 50 GCAA CCC(=O)C[C@H](NS(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)O 276293949 ZDSRESNFOPKFMX-NSHDSACASA-N 392.455 0.747 0 50 GCAA COc1ccc([C@H](CNC(=O)C(=O)N2CCCC2)N2CCOCC2)cc1OC 283351820 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50 GCAA O=C(Cn1nnnc1CN1CCCC1)NCC1(N2CCOCC2)CCCC1 11766244 QJTQGRAXBCZSPY-UHFFFAOYSA-N 377.493 0.030 0 50 GCAA C[C@@H](NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N2C1)c1ccccc1 14752081 WSOORZRUCMQFDQ-IWCQGFGOSA-N 387.484 0.644 0 50 GCAA CSc1ccc(CNC(=O)CCn2nnnc2CN2CCOCC2)cc1 19792845 ZBGQZVHIECHPGO-UHFFFAOYSA-N 376.486 0.934 0 50 GCAA CS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 36424311 XWFUCHLBRWBKGN-NIFZNCRKSA-N 378.399 0.433 0 50 GCAA in-vitro O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)CCn1nnc3ccccc31)C2 65374861 LUNSSNWGKJPUSF-UHFFFAOYSA-N 379.424 0.953 0 50 GCAA Cc1cc(N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)nc(N)n1 91793740 ZXEGZTVUYVXKLR-UHFFFAOYSA-N 377.474 0.404 0 50 GCAA CN1C(=O)[C@@H](CC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)N(C)C1=O 91932119 IQHBOSNXWOZQQX-CQSZACIVSA-N 376.388 0.279 0 50 GCAA CN1CCN(Cc2nc(-c3ccco3)no2)C[C@@]12CCC(=O)N(CCO)CC2 95372758 DFNLJURBXQYBMP-IBGZPJMESA-N 389.456 0.821 0 50 GCAA CN1C[C@@H](N)C[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95509203 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Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)nc(N)n1 952986332 GXJNIDLEMCSYSE-HNNXBMFYSA-N 395.467 0.460 0 50 GCAA COc1cc(CN2C[C@@H]3CN(C(=O)Cn4nc(C)cc4C)C[C@]3(CO)C2)ccn1 1772810060 IFNNNLZRUDMOKT-NQIIRXRSSA-N 399.495 0.856 0 50 GCAA CN1CC[C@]2(C(=O)NCCCn3ccnn3)CCCN(C(=O)c3ccc[nH]3)[C@H]2C1 1800412166 VTVSZBIGXSKCIM-FXAWDEMLSA-N 399.499 0.739 0 50 GCAA CCCc1nnc(N2C[C@H](C(=O)NCCN3CCN(C)C3=O)CC2=O)s1 1857717865 CDPUDVRXLZGGSA-LLVKDONJSA-N 380.474 0.327 0 50 GCAA CNS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857736473 QJFJFEYYTWFLPP-JTQLQIEISA-N 382.467 0.315 0 50 GCAA CN(C)CCCN(C)C[C@H](O)C1CCN(C(=O)CCCn2cncn2)CC1 1875249914 JKNSYNSLQBFFGK-SFHVURJKSA-N 380.537 0.541 0 50 GCAA CNc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2ccc3c(c2)COCC3)ncn1 1875400637 HCZPICMORSASKQ-QZTJIDSGSA-N 397.479 0.890 0 50 GCAA COC1(CO)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1875403921 LCXFYSMHHSMGPM-MRXNPFEDSA-N 391.516 0.847 0 50 GCAA Cc1nc(C)c(CC(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c(O)n1 1940196106 LAMDGWRBNMXJDR-UHFFFAOYSA-N 384.440 0.756 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(-c2ccsc2)[nH]n1 1940196933 FWLMIMIEPVZHQC-FZMZJTMJSA-N 384.483 0.774 0 50 GCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cnc(C(N)=O)cn3)C1)CC2 2356159936 WPFJUKSQKYJWMG-IBGZPJMESA-N 381.440 0.552 0 50 GCAA O=C(NCc1nnc2ccccn12)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356169179 WELZXVDSDSUMHK-MOPGFXCFSA-N 392.419 0.872 0 50 GCAA COc1cc(CNCC(C)(C)CO)ccc1OC[C@H](O)CN1CCC(O)CC1 12073525 MVGIACNTDXTMKE-GOSISDBHSA-N 396.528 1.000 0 50 GCAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)Cn1nnnc1CN1CCCCCC1 12594258 AWTPQYMNVHYMEA-OAHLLOKOSA-N 377.493 0.565 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(CO)CC2)c(F)c1 39557857 NEWOQPRRWVAOPB-GOSISDBHSA-N 393.459 0.756 0 50 GCAA CCOC(=O)N1CCN(C(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)CC1 40283814 ARROUOWPMDPVON-UHFFFAOYSA-N 388.428 0.347 0 50 GCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H](N)CCCCO)C2 71747432 CLFAXEJDZGZTAT-INIZCTEOSA-N 384.484 0.979 0 50 GCAA Cc1c(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cnc2ccnn12 91305258 HQUCUAJHQOOUEZ-FQEVSTJZSA-N 387.484 0.973 0 50 GCAA CCN(C(=O)c1cn(C(C)C)cc(C(=O)OC)c1=O)[C@@H]1CCS(=O)(=O)C1 95361846 IZEOSHCWSQPETR-GFCCVEGCSA-N 384.454 0.865 0 50 GCAA CN1C[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CC1=O 95526595 JRAXRQALLDVUFY-HNNXBMFYSA-N 399.495 0.891 0 50 GCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@@H]([C@H]5[C@H]2[C@]5(COC(C)=O)[C@]34COC(C)=O)[C@H]1C(=O)OC 253493494 UGZGXXPIUYOPTJ-WCKHAQERSA-N 392.404 0.429 0 50 GCAA CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)C3CCCCC3)c2C1 408200651 BPAACBFEHUAJEX-ZDUSSCGKSA-N 382.486 0.974 0 50 GCAA CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1 408513202 GZZOWAHQDCLBDS-LLVKDONJSA-N 378.410 0.334 0 50 GCAA Cc1nnc(CNC(=O)Cn2nnnc2[C@H](c2ccccc2)N2CCOCC2)o1 426658608 YSJJWCXQDUBCKG-KRWDZBQOSA-N 398.427 0.103 0 50 GCAA Cc1cc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)nc(-c2ccccc2O)n1 952872611 RXHWEUYRNYTRJN-CQSZACIVSA-N 381.436 0.942 0 50 GCAA CCCn1ccnc1CN1CC[C@]2(O)CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 1073390536 WQTDJYUPAHMWSN-RDJZCZTQSA-N 385.534 0.358 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cc3ccccc3n(C)c2=O)C[C@@H]1O 1616070014 WPRHVJJOIJYXSB-WBVHZDCISA-N 379.482 0.223 0 50 GCAA COC(=O)c1cc(C)nc(N2CC[C@H](O)[C@H](NC(=O)c3cscn3)C2)n1 1857708456 VFMSOCJABFIZKN-YPMHNXCESA-N 377.426 0.398 0 50 GCAA Cc1nc2c(c(=O)n1C)CCN(C(=O)[C@H]1CC(=O)N(c3nccs3)C1)CC2 1857718079 MSWVFICZVSSNIH-LBPRGKRZSA-N 387.465 0.526 0 50 GCAA O=C(Cn1cccnc1=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857720381 RDDZTLLQPYSBNR-YRNRMSPPSA-N 380.404 0.544 0 50 GCAA CO[C@]1(CN)C[C@H](C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)C1 2325778512 BPMOKJDZBYTBFI-LMQGHGSNSA-N 391.512 0.509 0 50 GCAA CC[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CCN4CCCS4(=O)=O)C3)C2)O1 2325793586 ACIGPYBCRJENKF-AOIWGVFYSA-N 399.557 0.904 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cc(C)n(C)n1 23368530 GVLTUCGEPRUORS-KRWDZBQOSA-N 385.468 0.744 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(Cl)cc3)nn2)CN1 67769464 GZMDTTWSCAIEAH-KGLIPLIRSA-N 377.836 0.902 0 50 GCAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC1CCOCC1)CO2 71771673 YCPCKHMMLSLZOO-MRXNPFEDSA-N 391.468 0.945 0 50 GCAA O=C(NCC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1cnc2ccccc2c1O 298977195 GZKFJQGBUMOGQY-MRXNPFEDSA-N 382.420 0.940 0 50 GCAA C[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@]2(CCO[C@@H]2C)O1 447981946 HNCXDEPLADKSLS-XJKCOSOUSA-N 375.491 0.388 0 50 GCAA CC(C)n1ccnc1CNC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 584896730 GNNIXKLKSKVTRO-UHFFFAOYSA-N 384.506 0.632 0 50 GCAA O=C(c1cnc2ccccn2c1=O)N1CCOC2(CCN(C(=O)C3CC3)CC2)C1 827921409 SPWRHGWNRUEAJS-UHFFFAOYSA-N 396.447 0.938 0 50 GCAA CN(Cc1ccccc1)S(=O)(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 952978870 YNRZYXYYZVIYIZ-UHFFFAOYSA-N 382.530 0.896 0 50 GCAA COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1Cl 1506417529 MXBVPPWCHWZFQF-GJZGRUSLSA-N 389.905 0.330 0 50 GCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C[C@H]2O)on1 1529119560 JYOIGEBXOGDFLN-CRAIPNDOSA-N 382.424 0.872 0 50 GCAA CCC[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1NS(C)(=O)=O 1565514257 UIMFHROYRPUGPZ-ZFWWWQNUSA-N 378.458 0.452 0 50 GCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)C[C@@H]1O 1615958629 QCAIKMUCSBBMMY-HIFRSBDPSA-N 379.438 0.666 0 50 GCAA O=C(Cn1cnnn1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857672236 DGWUIKYVBSLXRN-LJQANCHMSA-N 392.423 0.737 0 50 GCAA COCc1nnc(N2C[C@@H](C(=O)NCCc3nc(C)cc(C)n3)CC2=O)s1 1857700030 JQFMNGWNTHLSPS-LBPRGKRZSA-N 390.469 0.803 0 50 GCAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857728598 IRHZWKMREBREOJ-IRXDYDNUSA-N 384.436 0.995 0 50 GCAA CCCc1cc(=O)n2[nH]c(NC(=O)[C@H](c3cccnc3)N3CCOCC3)nc2n1 1875245450 AKOKSZBKWRPPTF-INIZCTEOSA-N 397.439 0.777 0 50 GCAA COCCn1nnc([C@H]2CN(C(=O)c3ccccc3-n3cccn3)CCO2)n1 2100477911 JBVCLXNTKMMCOM-MRXNPFEDSA-N 383.412 0.719 0 50 GCAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)CCn2ccnn2)CC1=O 2325819973 WUBVJBATFZWYHW-ZFWWWQNUSA-N 391.453 0.334 0 50 GCAA O=C1CC[C@H](N2Cc3ccc(CN=c4[nH]cnc5c4CCC5)cc3C2=O)C(=O)N1 2325898155 VKXKTXIMYJCVLW-KRWDZBQOSA-N 391.431 0.760 0 50 GCAA Cn1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cn1 55071494 GPUGKKXWJHUHCB-HNNXBMFYSA-N 377.395 0.705 0 50 GCAA COC(=O)[C@]1(CO)N[C@H](c2c(C)sc3ccccc23)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65506787 DTKCNARRNNUECQ-DEXNDLTESA-N 388.445 0.989 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C)CC2)c1OC 72151687 GBBPBFZGVQSOPR-INIZCTEOSA-N 390.484 0.168 0 50 GCAA Cc1cc(C(=O)N2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 72409220 XSLPNVBTCYECBI-KGLIPLIRSA-N 379.442 0.138 0 50 GCAA O=C(CCn1cccn1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72434966 DGLJHRAQYMZLIQ-SJORKVTESA-N 389.481 0.178 0 50 GCAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 72463383 KNMCOPNDMPGUHL-MRXNPFEDSA-N 376.505 0.449 0 50 GCAA Cc1ccc(CCNC(=O)C[C@H]2COCCN2S(=O)(=O)N(C)C)s1 72480567 XGFHPVXDSLSTDM-ZDUSSCGKSA-N 375.516 0.613 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN(C)C1)CC2 91575477 PTADALVGZLUDPN-OAHLLOKOSA-N 389.500 0.600 0 50 GCAA COCC(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)CC1 95360181 DBJOFFNTVBPAQJ-HNNXBMFYSA-N 376.457 0.726 0 50 GCAA COc1ccc(CN2CCN(C)CC2)cc1OC[C@H](O)CN1CCN(C)CC1 95520705 LPNZZJQOGSGNQE-LJQANCHMSA-N 392.544 0.430 0 50 GCAA Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 120639659 NFNNTUQXCJHLBE-VOTSOKGWSA-N 392.525 0.645 0 50 GCAA COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 170624330 GBMKDWZLVWSGRJ-UHFFFAOYSA-N 399.407 0.151 0 50 GCAA O=C(NCc1nnc2ccccn12)N1CCC[C@H](N2CCCS2(=O)=O)C1 369316063 YGTNKLQKXKQJCB-ZDUSSCGKSA-N 378.458 0.439 0 50 GCAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408516342 LCGJFSVZTKRXDA-YTKSKTJISA-N 376.453 0.716 0 50 GCAA CNC(=O)COc1cccc(CC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1 428026157 XZYVVLRFYSXPDQ-YLQYAUQASA-N 396.487 0.979 0 50 GCAA Cn1nccc1C(=O)NCC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 952982384 LHYQTPRUCMFKHV-UHFFFAOYSA-N 397.435 0.997 0 50 GCAA Cc1cc(S(=O)(=O)N2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)c(Cl)cc1F 1506418825 JSTRBDCCRKZMOJ-LBPRGKRZSA-N 389.836 0.461 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1cccc(O)n1 1857677784 DAIKGMQDWGDWOL-RYUDHWBXSA-N 375.406 0.741 0 50 GCAA COCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cc2n(n1)CCN(C)C2=O 1857680576 PSPZNGORGQWFLH-UHFFFAOYSA-N 395.423 0.640 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCn3cnnc3)CC(=O)N2[C@H]1c1ccccc1 1857716567 ASWFAJURYAVSEJ-BXWFABGCSA-N 397.435 0.642 0 50 GCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CN2CCOCC2)cn1 1857737008 ZUIXOKWJDBGUGZ-ICSRJNTNSA-N 391.516 0.507 0 50 GCAA O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](c2cccc(O)c2)C1 1875267938 LQTBBYUYFCACNZ-ARFHVFGLSA-N 392.477 0.744 0 50 GCAA COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c3ccccc3nn1C)CC2 1875345823 JUZXXYTYJLNFNJ-NSHDSACASA-N 376.442 0.605 0 50 GCAA CC(C)(C)c1ccc(OCC(=O)N2CC3(C2)[C@@H](C(N)=O)CCS3(=O)=O)cc1 1875395754 KZGLITHDOXXXNU-OAHLLOKOSA-N 394.493 0.864 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccc3c(c2)CCCS3(=O)=O)N1C 1875403224 SGUSFNCEAKATLC-ACJLOTCBSA-N 382.482 0.218 0 50 GCAA O=C(N[C@@H]1CC[C@H](C(=O)NCCc2cccnc2)C[C@H]1O)c1ccnc(O)c1 2356153601 NQTDKNYKKSBXSN-USXIJHARSA-N 384.436 0.801 0 50 GCAA CCOC(=O)C[C@H]1COCCN1C(=O)Cn1cc(NC(=O)c2ccco2)cn1 12456646 FNEZKNDTEQMXFW-AWEZNQCLSA-N 390.396 0.909 0 50 GCAA COc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 14291865 VYPLICDYGSIABK-CQSZACIVSA-N 384.454 0.625 0 50 GCAA O=C1CCC(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCC3CC3)C2)=NN1 14543274 FAONMJXKACNNDL-MRXNPFEDSA-N 399.451 0.314 0 50 GCAA COC(=O)[C@@H]1N[C@H](c2cc(Cl)c(OC)cc2OC)[C@@H]2C(=O)N(C)C(=O)[C@H]12 65380272 JHVPXAFWGGEKFG-XJFOESAGSA-N 382.800 0.774 0 50 GCAA COCCN1CCC[C@@](O)(CN2CCCN(c3ccncc3C)CC2)C1=O 67741884 SNMXATFNNGZTAZ-HXUWFJFHSA-N 376.501 0.902 0 50 GCAA CCCn1cnnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 72145368 AIEBDDBMCOCMOO-INIZCTEOSA-N 388.447 0.834 0 50 GCAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC3)cn1 91468676 XMIHRBSUIQMRIY-INIZCTEOSA-N 399.495 0.995 0 50 GCAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1 253428996 MECOCJHKQKPNSV-UHFFFAOYSA-N 393.874 0.142 0 50 GCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(OCC(=O)O)cc2)C1 299747409 CXHCRSLPPSEYRS-AWEZNQCLSA-N 384.454 0.480 0 50 GCAA C[C@H](NC(N)=O)C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 331518195 JEWYKZBSFCXSAO-DOTOQJQBSA-N 387.484 0.379 0 50 GCAA CN(C)c1cncc(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)n1 534668904 OEKOTZHMSUUCEF-HUUCEWRRSA-N 376.438 0.097 0 50 GCAA COCCc1nc(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)no1 584901773 JFSFQIGETZNJKJ-OAHLLOKOSA-N 377.376 0.780 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(Cc3cccc4nonc34)C[C@H]2C1 1073310879 UBQPKJXHLZDICI-YOEHRIQHSA-N 395.485 0.288 0 50 GCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)(CN3CCCC3)CC2)cc1 1506422714 CRNAGLRLGQMNGX-UHFFFAOYSA-N 381.498 0.658 0 50 GCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2C[C@@H](CO)C[C@@H](CO)C2)OCC(=O)N1C 1529187659 XELHJMZBMDYDJW-OHQAAIJDSA-N 376.453 0.343 0 50 GCAA O=C(CCN1CCOCC1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565509433 CIKGJBAACSLXKC-ZBFHGGJFSA-N 378.498 0.815 0 50 GCAA Cc1nc2c(c(=O)n1C)CCN(C(=O)[C@@H]1CC(=O)N(c3nccs3)C1)CC2 1857718078 MSWVFICZVSSNIH-GFCCVEGCSA-N 387.465 0.526 0 50 GCAA O=C(CCc1ccncn1)N[C@H]1CCCN(CCN2CCCS2(=O)=O)CC1 1875327418 VMQMNLBGNJPRID-KRWDZBQOSA-N 395.529 0.415 0 50 GCAA O=C(N=c1ccn(-c2ncccn2)[nH]1)NCCS(=O)(=O)NC1CCCCC1 2325852157 UXLPELAGBPEVOF-UHFFFAOYSA-N 393.473 0.458 0 50 GCAA COCc1cc(C(=O)N2CCN(C(=O)c3[nH]c(C)cc3C)C[C@@H](O)C2)on1 2325878100 DOMDQQXHYXZAEJ-AWEZNQCLSA-N 376.413 0.725 0 50 GCAA CNC(=O)CN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71754785 YPMMWJSMARTFKJ-SFHVURJKSA-N 387.528 0.962 0 50 GCAA COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ncccc1O)CC2 95501866 QYUVGAKNEQRGOR-UHFFFAOYSA-N 385.424 0.673 0 50 GCAA COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@H]2C(=O)OC)cc1 239434059 YYAVVEHWOUBCRK-GPINWOSQSA-N 378.377 0.859 0 50 GCAA biogenic COc1ccc(CN2C[C@H](C(=O)N3CCO[C@H](CC(=O)O)C3)CC2=O)cc1 262879319 YSEWPZLRMKNEMO-GDBMZVCRSA-N 376.409 0.746 0 50 GCAA COc1ccc(-c2noc([C@@H](C)NC(=O)N3CCNC(=O)C3)n2)cc1OC 534637838 PEYCJPYBWLGLRC-SNVBAGLBSA-N 375.385 0.956 0 50 GCAA Cc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(C)c1[C@H]1COCCN1C 952894287 MWTVLFDSPOULDB-MRXNPFEDSA-N 378.473 0.869 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COc1ccccc1Cl 1704299223 FTZROMNFBONCSY-AAEUAGOBSA-N 376.862 0.741 0 50 GCAA CCOc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2NC(=O)c2ncc[nH]2)c1 1772817208 MCLGMKSWONKLJN-UONOGXRCSA-N 392.437 0.134 0 50 GCAA O=C([C@@H]1CC(=O)N(C2CNC2)C1)N1CCO[C@@H](COc2ccc(F)cc2)C1 1875315818 JBSICXGFZVDMQV-CXAGYDPISA-N 377.416 0.252 0 50 GCAA CC(=O)N1CCN(C(=O)c2cn3c(n2)CCN(Cc2cccnc2)CC3)CC1 1940193713 PFIPSEABAMMVKY-UHFFFAOYSA-N 382.468 0.641 0 50 GCAA COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3nnnn3C)C2)c(C)c1C 2100540245 FQGIGAKYBRAYPS-CQSZACIVSA-N 381.458 0.906 0 50 GCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 2100540618 NKRHRLDLEVKDHW-VQIMIIECSA-N 396.495 0.607 0 50 GCAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCN[C@H](c2ccc(F)cc2)C1 2325760691 MVXHJURXLRQQBL-INIZCTEOSA-N 384.415 0.971 0 50 GCAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)CC1 877096 QAFPPDQNVFQNED-UHFFFAOYSA-N 399.469 0.762 0 50 GCAA O=S(=O)(N1CCCCC1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 1069155 LSQGZLSBBXOZQI-UHFFFAOYSA-N 394.563 0.456 0 50 GCAA COc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccccc2)cc1 4980117 QUYIPKRKXNSTGH-UHFFFAOYSA-N 378.450 0.995 0 50 GCAA Cc1cccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)n1 14747096 JUGCEKYQCKGCTF-RBUKOAKNSA-N 380.448 0.850 0 50 GCAA COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 63834141 LTEMPYCHSUJWNK-CQSZACIVSA-N 383.395 0.725 0 50 GCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCN1CCNC1=O)CO2 71714677 LWRVASQBYSZFIZ-CQSZACIVSA-N 389.456 0.117 0 50 GCAA COCCn1c(CN2CCN3CCC[C@@H]3C2)cnc1S(=O)(=O)CC1CC1 82039326 YPVHTAKMXZVQMW-MRXNPFEDSA-N 382.530 0.993 0 50 GCAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(C3Cc4ccccc4C3)C[C@@H]2C1 91644077 GNBRJMHZQYKYQE-IEBWSBKVSA-N 379.526 0.719 0 50 GCAA COCCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1 95379210 CZUMTOOYBLSULI-AWEZNQCLSA-N 383.470 0.304 0 50 GCAA CCCn1cc(CN2CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)cn1 193952112 SLOHFPBYZLYMFF-HNNXBMFYSA-N 385.534 0.607 0 50 GCAA COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 247946025 JWZWHDLSJRLWBM-ZBFHGGJFSA-N 381.498 0.967 0 50 GCAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCCN4CCOCC4)c3CO2)cc1 263619243 XQGQWWZWCZGYLY-KRWDZBQOSA-N 387.440 0.620 0 50 GCAA CCCc1ncncc1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299801960 ZINRGZVATPBHCI-UHFFFAOYSA-N 378.458 0.331 0 50 GCAA CCN1CCNC(=O)[C@H]1CC(=O)NCC1CCN(CCc2nccn2C)CC1 823117568 OXEAVULRYRECPF-QGZVFWFLSA-N 390.532 0.001 0 50 GCAA COc1c(F)ccc(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1F 1529094444 GXOVUMFMZVDMSZ-CABZTGNLSA-N 378.397 0.298 0 50 GCAA COCC1(N(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)CC1 1529105420 AZSYKYHPDDLITM-SJORKVTESA-N 378.425 0.897 0 50 GCAA CCn1cc(CN2C[C@@H]3CN(C(=O)c4cc(=O)cc(C)o4)C[C@]3(CO)C2)cn1 1772805492 MBNCWHVAPQZFMT-UZLBHIALSA-N 386.452 0.731 0 50 GCAA CN1CC[C@]2(C(=O)NCCOCCO)CCCN(C(=O)c3cccn3C)[C@H]2C1 1800409369 FVVAPPPZADODFP-FXAWDEMLSA-N 392.500 0.077 0 50 GCAA NC(=O)Cc1nc([C@@H]2CCn3nccc3C2)n(-c2ccc3c(c2)OCCO3)n1 1857676479 UGGLLQCRFLLUGG-GFCCVEGCSA-N 380.408 0.993 0 50 GCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2CC2)C1)c1cccc(-n2cnnc2)n1 1875250804 IJVWLGPBPVQCRY-YWZLYKJASA-N 395.467 0.668 0 50 GCAA O=C1CCC[C@H](C(=O)NCCN2CCN(C(=O)c3coc(C4CC4)n3)CC2)N1 1875326431 BCQJGZDRVPAFKC-CQSZACIVSA-N 389.456 0.095 0 50 GCAA CCOc1ccnc(N2CCc3nc(C(=O)NCc4nc[nH]n4)cn3CC2)n1 1940197790 QTBYVTXBZHXBQX-UHFFFAOYSA-N 383.416 0.183 0 50 GCAA COc1cc2nc(N3CCc4nc(C(N)=O)cn4CC3)[nH]c(=N)c2cc1OC 2100482300 PGBHRSKNRKICFA-UHFFFAOYSA-N 383.412 0.418 0 50 GCAA COC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)OCCN3C)C2 65425587 KLTRLLHRFQBNQR-UHFFFAOYSA-N 392.437 0.703 0 50 GCAA Cn1nc(CC2CCN(C(=O)Cn3cncn3)CC2)n(-c2ccccc2)c1=O 67881764 QZMPWZJBZNREDH-UHFFFAOYSA-N 381.440 0.644 0 50 GCAA COc1cc2[nH]c(=O)c(CN3CCN[C@H](C(=O)O)C3)cc2c(OC)c1OC 71440449 FMGZSPQOKJMUTB-ZDUSSCGKSA-N 377.397 0.412 0 50 GCAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCCN2CCCC[C@H]2CO)C1 71661803 JQBZAMSZCZPRGL-HNNXBMFYSA-N 376.505 0.706 0 50 GCAA Cc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)N[C@H]1CCCCNC1=O 77377359 IDQKKLWZIGNRJI-AWEZNQCLSA-N 377.832 0.781 0 50 GCAA Cc1nn(-c2ccccc2Cl)c(=O)n1CC(=O)NCc1nnc2n1CCC2 77504802 YFJFLGLASBVDAL-UHFFFAOYSA-N 387.831 0.850 0 50 GCAA O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(CCCn2cnnn2)C1 95501952 PKLJKFHWSHZJIS-KRWDZBQOSA-N 378.502 0.895 0 50 GCAA CN(CCO)Cc1nnc(C2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)n1C 96136189 FAKKVSVYEZZTAO-UHFFFAOYSA-N 387.488 0.860 0 50 GCAA CCOC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCNC3)c2)CC1 215872419 LHTBPHGQQYDBNE-HNNXBMFYSA-N 381.498 0.968 0 50 GCAA COCCN1C[C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@]2(C(=O)O)C1 247817509 BVDJEQBMELXJHE-LIRRHRJNSA-N 376.409 0.449 0 50 GCAA O=c1cc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)nc2sccn12 299801636 ZOCNEEFUZTVKQI-OGIUKLMXSA-N 377.466 0.744 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cn2cc(Cl)ccc2n1 1704299461 RZCBRLRNPFPQFR-GXFFZTMASA-N 386.861 0.624 0 50 GCAA CS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@H]1CN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]12 1857677406 AHUPPSJRMDPUOT-XKSGDERDSA-N 378.450 0.707 0 50 GCAA CN(C)c1nc2c(c(=NCCO)[nH]1)CCC21CCN(c2cc(N)ncn2)CC1 1857681163 AQOVEUCZCZLDHP-UHFFFAOYSA-N 384.488 0.225 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2cc[nH]n2)C[C@H]1NC(=O)CN(C)C 1875246192 ABMOILOWHYYDPD-USXIJHARSA-N 379.505 0.710 0 50 GCAA O=C(O)CC[C@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CO1 1875313748 SOUQDSSWEUPKCG-KSZLIROESA-N 376.453 0.792 0 50 GCAA NCc1nc2c(s1)CCN(C(=O)c1cnc3c(c1)c(O)nc(=O)n3C1CC1)C2 1875360370 GTYGYSFQHJFQSF-UHFFFAOYSA-N 398.448 0.946 0 50 GCAA C=CC(=O)N1CCC(C(=O)N2CCN(c3n[nH]c(Br)n3)CC2)CC1 1875385406 SKOFXLMTCXZGTK-UHFFFAOYSA-N 397.277 0.640 0 50 GCAA Cn1c(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)cc(=O)n(C)c1=O 1940197496 VGPPVFAAZVWOEA-UHFFFAOYSA-N 387.375 0.296 0 50 GCAA O[C@@]1(Cn2cnc3c(N4CCC(Oc5cnccn5)CC4)ncnc32)CCOC1 2325759802 STFSFVWJVNCTDE-LJQANCHMSA-N 397.439 0.816 0 50 GCAA CC(C)S(=O)(=O)N1CCO[C@@H]2CC[C@H](C(=O)NCCc3cnc[nH]3)C[C@H]21 2356170068 SZBBWLLOTNJGIH-NUEKZKHPSA-N 384.502 0.676 0 50 GCAA CN1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCCNC1=O 67804231 GEBHXELQNVUOGO-XIRDDKMYSA-N 388.468 0.039 0 50 GCAA N[C@@H](CO)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77521413 XNIPSUQXLIFJPB-INIZCTEOSA-N 376.438 0.087 0 50 GCAA CN(C)CCN1C[C@]2(CCCN(C(=O)CCCn3cncn3)C2)CCC1=O 91781278 ROUZUYMDXUJDPJ-LJQANCHMSA-N 376.505 0.851 0 50 GCAA CCN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCN(c2ccccc2)C1=O 112297380 HKGHDFIPOSPQJE-HNNXBMFYSA-N 380.408 0.545 0 50 GCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@@H](N)C2)CC1 237343270 MXJYKKCVFDHRMU-LSDHHAIUSA-N 380.514 0.761 0 50 GCAA Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)no1 239121046 JEUORNJKTKDCSP-SXGJSQIVSA-N 399.403 0.906 0 50 GCAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)cc1 289625374 KEIHQCSIQAHHBK-AWEZNQCLSA-N 377.470 0.954 0 50 GCAA CCn1ccnc1CN(C(=O)c1cnc(O)n(C)c1=O)[C@@H]1CC12CCNCC2 435557835 CCRKTFZHPORKTG-CQSZACIVSA-N 386.456 0.487 0 50 GCAA Cc1ccc(SCCCNC(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)cc1 584884741 QLTLXDKBAQFAPA-OAHLLOKOSA-N 376.482 0.829 0 50 GCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3cnn(C)c3)C1)CC2 1704311592 NAVRUQSPTQZHKM-QGZVFWFLSA-N 376.486 0.945 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3nonc3C)CC(=O)N2[C@H]1c1ccccc1 1857730401 RJCPFRDPIFRMOT-ZQIUZPCESA-N 384.392 0.965 0 50 GCAA O=C(N[C@H]1CC[C@H](C(=O)NCCCn2ccnn2)C[C@@H]1O)c1cscn1 2100473689 SFCSGZMBBCBWDM-OBJOEFQTSA-N 378.458 0.201 0 50 GCAA N[C@@]1(c2ccccc2)CCN(C(=O)C(=O)N=c2ccn(-c3ccncc3)[nH]2)C1 2325856096 ANUJMOJNPXJONQ-FQEVSTJZSA-N 376.420 0.714 0 50 GCAA CCC[C@@]1(C(=O)O)CN(C(=O)CN2CCN(c3ncccn3)CC2)CC[C@H]1O 2356139615 UPOFKAWKLMOMCU-DNVCBOLYSA-N 391.472 0.063 0 50 GCAA CN(CC1(CO)CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 55284337 IUDZZYUAOHXFRC-GOSISDBHSA-N 389.496 0.625 0 50 GCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CN1Cc1ccsc1 91586069 MWMYJLRSLIVIHU-OCCSQVGLSA-N 375.454 0.340 0 50 GCAA NS(=O)(=O)c1ccc(N2CCN(C(=O)CC3C[C@@H]4CC[C@H](C3)N4)CC2)cc1 238093993 XDGIOPPFKDEGHJ-MQVJKMGUSA-N 392.525 0.903 0 50 GCAA CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Br)cc(C(=O)O)c2)C1 262682040 SZCMKDGATZZCPG-LLVKDONJSA-N 391.243 0.911 0 50 GCAA C[C@@H](C(=O)N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329863442 RXARHLFILRTWMQ-SYIKRCIUSA-N 392.452 0.332 0 50 GCAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(Cc3ccco3)C2=O)CC1 409413310 KGODVTUWTPCBKO-CQSZACIVSA-N 377.397 0.892 0 50 GCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)NC[C@H]1CCCO1)CC2 426574716 LDGYWHGAKGAIRT-CYBMUJFWSA-N 388.472 1.001 0 50 GCAA CN(C)[C@H](CNC(=O)N1CCc2c(c(C(N)=O)nn2C)C1)c1cccs1 584903584 JUQOBZJCJCRHPC-CYBMUJFWSA-N 376.486 0.951 0 50 GCAA CCCOCCN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 1529153748 UYZHRGWIKQPALZ-MOPGFXCFSA-N 375.469 0.814 0 50 GCAA CO[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1Cc1cc(C)no1 1704339873 PHLSXTNPZIZXIX-CJNGLKHVSA-N 379.438 0.960 0 50 GCAA CCOCC(=O)N1C[C@@H]2CN(C(=O)CNc3ccc(F)cc3)C[C@@]2(CO)C1 1772702889 JFIBMOPSUPXVIX-LIRRHRJNSA-N 379.432 0.553 0 50 GCAA CNCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCCCCO)cc12 1857685835 WREXRDZBYUIKFS-UHFFFAOYSA-N 395.525 0.860 0 50 GCAA O=C(CSc1ncccn1)N1CCN(C(=O)CSc2ncccn2)CC1 1025499 CBTYTPUDFLLXCO-UHFFFAOYSA-N 390.494 0.822 0 50 GCAA CN1CCC2(CC1)CN(C(=O)Cn1nnc3ccccc3c1=O)CCCN2C 67714437 AKFWEHUXHSPGDD-UHFFFAOYSA-N 384.484 0.420 0 50 GCAA Cc1nc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 72408028 OTQIAXDPNWQBSD-KGLIPLIRSA-N 383.495 0.702 0 50 GCAA Cc1nn(CC(=O)N2CCC(O)(Cn3ccnc3)CC2)c(=O)c2ccccc12 91952364 HDHWOQXZGYSGCR-UHFFFAOYSA-N 381.436 0.955 0 50 GCAA Cc1cn2c(=O)cc(CN3CCN(C)[C@]4(CCNC(=O)CC4)C3)nc2s1 107417346 LDGHRCHZZKPKBY-GOSISDBHSA-N 375.498 0.851 0 50 GCAA COC[C@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 225856020 RUROHNNKJPYUOF-VIFPVBQESA-N 398.890 0.678 0 50 GCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1C(=O)OC)[C@@H]1[C@@H]2[C@]3(COC(C)=O)[C@@]41OC(C)=O 253488248 AAIDZJWLJGLDMD-OSGDYJPCSA-N 378.377 0.181 0 50 GCAA C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C(N)=O)cn3)cn2)C[C@@H](C)O1 363561070 UXELUHYFFMFSDM-VXGBXAGGSA-N 386.412 0.265 0 50 GCAA COCCc1noc(CNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)n1 584899939 DELZUOHFWRCBNN-LBPRGKRZSA-N 376.417 0.797 0 50 GCAA C[C@@H](C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)N1CCCC1=O 827968259 IRACGGRTOXSRCX-AWEZNQCLSA-N 375.425 0.874 0 50 GCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)N3C[C@H]4CCN[C@H]4C3)c2)CC1 1565510955 PZBDIUPJYOPOPO-WBVHZDCISA-N 378.498 0.057 0 50 GCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccn1S(=O)(=O)c1ccccc1)C2 1704307526 JCEIGDJLAXYOAT-CABCVRRESA-N 375.450 0.672 0 50 GCAA CC(C)(F)C(=O)N1CCC[C@H](N2CCN(C(=O)CN3CCCC3)CC2=O)C1 1775989186 GFXUKWKOTFWFLH-HNNXBMFYSA-N 382.480 0.492 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1ccc(O)nc1 1857682049 MNHNHXCNFSOBMC-STQMWFEESA-N 375.406 0.741 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CN3CCCC3=O)CC(=O)N2[C@H]1c1ccccc1 1857718764 RXGHDQFOPUGVJL-FTRWYGJKSA-N 399.447 0.582 0 50 GCAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)[C@@H]2C1 1875244067 KYUYABVEDGLYCS-XGWLTEMNSA-N 387.436 0.798 0 50 GCAA Cn1cc(S(=O)(=O)N2CCC[C@@H](n3ccc(C(=O)O)n3)C2)cc1C(N)=O 1875266393 BWNKZXUBFUCJIM-SNVBAGLBSA-N 381.414 0.045 0 50 GCAA COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3CN(C)CC[C@@H]3O)CC2)cc1 2100534597 PAAMHWAIXARBEL-MOPGFXCFSA-N 389.496 0.863 0 50 GCAA COCCC[C@@]1(CO)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC[C@H]1O 2100557638 XLNIGDQPTBLINM-MJGOQNOKSA-N 389.456 0.203 0 50 GCAA Cn1cc(CN(CCS(=O)(=O)N2CCCCC2)C(=O)CCC(=O)O)cn1 9530977 BQACSWVAAWHFLU-UHFFFAOYSA-N 386.474 0.429 0 50 GCAA Cn1c(=O)c2c(nc(NCCCO)n2Cc2ccc(Cl)cc2)n(C)c1=O 12378086 SVUAHMAYYPVHBJ-UHFFFAOYSA-N 377.832 0.930 0 50 GCAA biogenic CC(=O)c1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)c(=O)[nH]c1C 67909948 WVBPGLLSRQAHGI-UHFFFAOYSA-N 383.452 0.963 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCC(N)=O)[C@@H]4C2=O)c1 77505196 YZOVDXGNJYZRRN-VZRKHXGSSA-N 399.447 0.311 0 50 GCAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN2CCC(O)CC2)c1 95505213 KINMOBZSRUFFCB-LJQANCHMSA-N 394.512 0.848 0 50 GCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C(=O)Cc1ccccc1C 96153550 CHPWMPXXNIXJEG-IRXDYDNUSA-N 375.469 0.484 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CCC[C@@H](C(=O)O)C2)nc1N1CCOCC1 96161546 SGNLQGGKRVDUNB-GFCCVEGCSA-N 378.429 0.976 0 50 GCAA CCn1cc(C(=O)NC[C@H](C)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 138638061 XFNCMJNIXZOZQY-LBPRGKRZSA-N 376.432 0.681 0 50 GCAA Cc1nccn1-c1ccc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 219414698 BQFKFINRVBSKIV-KRWDZBQOSA-N 376.482 0.916 0 50 GCAA N[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 269113124 LEUKYDAGPSNWMV-UONOGXRCSA-N 393.465 0.573 0 50 GCAA COc1cccc2c1OC[C@@H](NC(=O)CN1CCN(c3ncccn3)CC1)C2 824804883 QLVOJKWJOFIPHQ-INIZCTEOSA-N 383.452 0.727 0 50 GCAA C[C@@H]1OCC[C@@]1(O)Cn1cnc2c(N(C)C[C@@H]3CCS(=O)(=O)C3)ncnc21 952961740 RGMDBOUTCJLNGW-GDZNZVCISA-N 395.485 0.237 0 50 GCAA COCCc1noc([C@H]2CCCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)C2)n1 952969767 GTYGTXFHXWSMPS-UONOGXRCSA-N 379.461 0.162 0 50 GCAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)n[nH]2)s1 952972372 SIKZKZJTATZJSB-NSHDSACASA-N 384.483 0.837 0 50 GCAA Cn1ccnc1CN1CCC2(CC1)CC(=O)N(CC(=O)N1CCCC1)CCO2 1857687550 YJIPRDMTXSCAAR-UHFFFAOYSA-N 389.500 0.626 0 50 GCAA Cn1nccc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2noc(C3CCC3)n2)C1 1857690045 TWJUCNJCUKOSBW-AUUYWEPGSA-N 386.456 0.835 0 50 GCAA CNC(=O)c1cn2c(n1)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)CC2 1875242219 NHMCMYWGXQKYCX-UHFFFAOYSA-N 376.438 0.345 0 50 GCAA CCc1nccn1CCC(=O)N[C@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@@H]1O 1940193618 PIRTWVXYHSAACD-XIRDDKMYSA-N 392.500 0.777 0 50 GCAA CS(=O)(=O)N1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1 2297756482 DURMLOBZTVQDGQ-AATRIKPKSA-N 385.873 0.573 0 50 GCAA CC(=O)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 4818421 ABBVVRXQWGZHCW-UHFFFAOYSA-N 396.451 0.151 0 50 GCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCO2)c1OC 12471923 QXXLPCSIBLXFCG-OAHLLOKOSA-N 377.441 0.948 0 50 GCAA Cc1ccc(CN2CCN(C(=O)Cn3ncc(N(C)C)cc3=O)CC2=O)cc1 20541981 AFMUBLIFSGWIEI-UHFFFAOYSA-N 383.452 0.489 0 50 GCAA NCCn1cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)nn1 67774821 KRYPRJCEJPZIFF-UHFFFAOYSA-N 382.428 0.131 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3nonc3C)C2)nn(CCN(C)C)c1=O 67935286 VTIWNWDVHLCZSN-CYBMUJFWSA-N 377.449 0.338 0 50 GCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1cnc[nH]c1=O)C2 72158827 MPZGDWVCGIXDDZ-UHFFFAOYSA-N 377.408 0.886 0 50 GCAA C[C@@H](O)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1C 77440783 IIPIKCGFVNUOGH-CYBMUJFWSA-N 394.497 0.787 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)[nH]c1)CC2 95518479 ZVFZMQCNSWAHMC-UHFFFAOYSA-N 385.424 0.261 0 50 GCAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCOC3)c2)no1 215532684 VTEJCKWPHCJTHL-GFCCVEGCSA-N 380.426 0.623 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)Nc1nnc([C@H]2CCCO2)s1 252480282 BZILAPZWBVLVOT-GFCCVEGCSA-N 375.458 0.940 0 50 GCAA Cc1nc(S(=O)(=O)N2CCN(c3ccnc4c3cnn4C)CC2)cn1C 286351970 WMRCTOMEUBWUEV-UHFFFAOYSA-N 375.458 0.521 0 50 GCAA CCn1nc(C)cc1S(=O)(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299761515 TXDWGXLCJZYEJE-IVSAIRAKSA-N 385.486 0.388 0 50 GCAA O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1nc(=O)c2ccccc2[nH]1 375842759 WQTXFKCQXZPNBL-LLVKDONJSA-N 376.438 0.610 0 50 GCAA O=C(NCCCN1C(=O)COc2ccccc21)N[C@H]1CCc2nnnn2CC1 422242504 ZVOWXRNQOQFWFI-ZDUSSCGKSA-N 385.428 0.493 0 50 GCAA COc1cc(C(=O)NCC2CCN(CC(=O)Nc3ccn(C)n3)CC2)ccn1 824852088 RIWPUUZPVJUZAH-UHFFFAOYSA-N 386.456 0.904 0 50 GCAA Cc1ccc2[nH]c(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc(=O)c2c1 1529090915 KIVBMDMZSGFCRC-SCLBCKFNSA-N 379.482 0.521 0 50 GCAA CCn1nccc1C(=O)NC[C@]1(C)CN(c2nc(C)nc3c2cnn3C)CCO1 1775992964 XFDPMPOZSAZTNU-LJQANCHMSA-N 398.471 0.913 0 50 GCAA CC(C)C[C@@H](NC(=O)CCc1nc2c(O)nc(S)nc2nc1O)C(=O)O 1776003665 CRVFPRGEDWRFPX-MRVPVSSYSA-N 381.414 0.668 0 50 GCAA O=C1CC[C@@H](N2Cc3cc(C(=O)NCC[C@@H]4CCCN4)ccc3C2=O)C(=O)N1 2325895560 DGAUBNMFTWPFDB-GOEBONIOSA-N 384.436 0.320 0 50 GCAA O=C1CN(c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cn2)CCN1 67650316 IYQSJGCRDKTKDE-UHFFFAOYSA-N 381.440 0.160 0 50 GCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnn(CC)c2)CN1C1CCN(C)CC1 97173206 PRVHEEZEVQDWTF-RDJZCZTQSA-N 376.505 0.306 0 50 GCAA CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nnc(C3CC3)o2)cc1 170603630 JWJPPVIACPHLTB-UHFFFAOYSA-N 386.455 0.676 0 50 GCAA CC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C1=O 252444197 PETCBXACGMXVCN-YKJXYISPSA-N 379.417 0.239 0 50 GCAA COC1CCN(S(=O)(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)CC1 426683666 ABOIZPSCFKUTNT-UHFFFAOYSA-N 399.517 0.327 0 50 GCAA O=C(c1cccnc1O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 440024940 HRNCGZFZWOGMRD-UHFFFAOYSA-N 382.364 0.378 0 50 GCAA Cc1cc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(C)s1 1704345298 WRQXPAIRSDSJSA-RYUDHWBXSA-N 382.529 0.550 0 50 GCAA CC(=O)NCC(=O)N1CC[C@]2(CN(Cc3cccc(-n4cccn4)c3)CCO2)C1 1857681787 NRXCNTKKHPJZDI-NRFANRHFSA-N 397.479 0.812 0 50 GCAA O=C(c1cn2c(n1)CCNCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1857710169 KFVZVWWBJBXPHX-UHFFFAOYSA-N 383.452 0.716 0 50 GCAA O=C(CCn1ccccc1=O)N[C@@H]1C[C@H](C(=O)NCCc2ccccn2)C[C@H]1O 1940197544 YDBGYCIUCLVDBL-CGTJXYLNSA-N 398.463 0.248 0 50 GCAA CC(C)[C@@H](NC(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325896723 FEFWLVWWTJBTNC-DZGCQCFKSA-N 387.392 0.287 0 50 GCAA O=c1[nH]/c(=C/c2ccc3c(c2)OCO3)c(=O)[nH]/c1=C/c1ccc2c(c1)OCO2 1203636 CDEAAFXXXDBRBZ-ACFHMISVSA-N 378.340 0.178 0 50 GCAA COc1cccc(-n2c(C)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 13814990 XLMBSQKAJUKRQQ-UHFFFAOYSA-N 383.408 0.838 0 50 GCAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(N2CCOCC2)CC1 20860527 GPMYOCKNOGFOMJ-KRWDZBQOSA-N 380.533 0.546 0 50 GCAA Cc1ccnn1CC(=O)N1CCN(C(=O)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 82121326 OPOMGTUTRJJCBT-UONOGXRCSA-N 382.486 0.074 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccno3)c2)cn1 95389269 UQRQLEPIBKZLNZ-UHFFFAOYSA-N 375.410 0.817 0 50 GCAA O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCCN1C(=O)Cn1ccnc1 95501939 YOGUCSAFLXTKAE-INIZCTEOSA-N 380.412 0.879 0 50 GCAA CN1CCN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@]12CCNC(=O)CC2 107418960 JWCREZIFWPJJHE-GOSISDBHSA-N 380.514 0.650 0 50 GCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 152417085 KOJNGFFLEAZACV-INIZCTEOSA-N 383.456 0.105 0 50 GCAA COCc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)s1 219314677 OKAQUKRGBKSTBH-JSGCOSHPSA-N 376.438 0.690 0 50 GCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CCC(=O)NCc1ccco1)C2 247948266 KMXPMPSEHPNYHX-GJZGRUSLSA-N 384.502 0.489 0 50 GCAA O=C1CC[C@H](N2CCN(C(=O)[C@@H]3CSCN3C(=O)C3CCC3)CC2)CCN1 333580959 ZTBBOHXNWHMVPS-HOTGVXAUSA-N 394.541 0.501 0 50 GCAA CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@]1(C)CCC(=O)N1)C2 333721583 VHYOCFBYGHDPSG-SFHVURJKSA-N 394.497 0.673 0 50 GCAA O=C(Cn1nccc1[C@H]1CCCNC1)NCCn1ncc2ccccc2c1=O 426388420 OOOLTBMWIFGGIW-INIZCTEOSA-N 380.452 0.876 0 50 GCAA NC(=O)CN1CCc2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 447683049 MPIGMKAAXLZFJX-UHFFFAOYSA-N 377.408 0.758 0 50 GCAA O=C1NC(=O)[C@H](CCC(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)N1 952982118 ZKOVROVFVPMUOF-KRWDZBQOSA-N 398.463 0.798 0 50 GCAA CC(=O)Nc1nonc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1506403517 PTWSBVOTVMRLPY-GFCCVEGCSA-N 397.388 0.959 0 50 GCAA O=C(CCn1nnc2ccccc21)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565527671 WJPSZZGVRNVEBS-HKUYNNGSSA-N 380.452 0.968 0 50 GCAA Cc1cc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(C)s1 1704332105 WRQXPAIRSDSJSA-NWDGAFQWSA-N 382.529 0.550 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COc1ccccc1Cl 1704342086 FTZROMNFBONCSY-WCQYABFASA-N 376.862 0.741 0 50 GCAA Cc1ccccc1CNC(=O)CN1C[C@H]2CN(Cc3cncnc3)C[C@]2(CO)C1 1772806128 ZEVYOOXKKCBBON-IFMALSPDSA-N 395.507 0.828 0 50 GCAA COCCOCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3F)C[C@@]2(CO)C1 1772813956 CJUGWAKHVKMPDJ-BEFAXECRSA-N 384.423 0.881 0 50 GCAA Cc1noc(C)c1CCCNC(=O)[C@]12COC[C@H]1CN(CCn1cnnc1)C2 1857682317 IQJNPMOOZLPVHZ-VQIMIIECSA-N 388.472 0.580 0 50 GCAA O=C(c1cnc[nH]1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857700277 QGHJDSSMQPLTOW-IBGZPJMESA-N 384.440 0.862 0 50 GCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccn(C)n2)N1Cc1ccccc1 1875396370 DHLLFCMQGQZWLK-QAPCUYQASA-N 394.497 0.350 0 50 GCAA Cc1ncsc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2nc(C3CC3)no2)C[C@H]1O 2100537968 ZFVWPFJBSUJNLD-QJPTWQEYSA-N 391.453 0.898 0 50 GCAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCCN(C)CC3)C[C@H]2O)no1 2100545708 ZKXBNNRHNUOOBQ-SQWLQELKSA-N 378.473 0.831 0 50 GCAA NCC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896841 IOCBQWXKHJVWNY-DOTOQJQBSA-N 398.463 0.791 0 50 GCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc2c(s1)C1(CCNCC1)OCC2 2356156117 RVTLPXWSOAGKLO-QHSBEEBCSA-N 380.466 0.156 0 50 GCAA CC(C)OC[C@@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 850906 YXGLAXABVUGDLW-AWEZNQCLSA-N 387.440 0.821 0 50 GCAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccccc3F)[C@H]2SC1 6318094 YTGHOZCLARAFPJ-BLLLJJGKSA-N 394.380 0.741 0 50 GCAA Cc1cc(C)c(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(=O)[nH]1 72474306 RABCTVGEUZQJCW-CABCVRRESA-N 381.498 0.571 0 50 GCAA CC[C@@H](O)Cn1nc(Cc2cccs2)nc1CCn1ccc(=O)[nH]c1=O 96162449 PGQSZDQRHVNRHT-GFCCVEGCSA-N 375.454 0.794 0 50 GCAA CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCN3CCCC3)c2)C1 216243078 INMWPHFWUXVFMT-MRXNPFEDSA-N 381.498 0.922 0 50 GCAA COC(=O)C(C(=O)OC)[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 252427986 MQKIUSNYAGLHMZ-NYQWEJKPSA-N 385.210 0.577 0 50 GCAA Cn1cc(CN(C(=O)c2ccc(F)cc2Cl)[C@@H]2CCNC2)c(=O)n(C)c1=O 328622032 AXDLCYJROZRPFP-CYBMUJFWSA-N 394.834 0.881 0 50 GCAA Cc1c2ccc(NC(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)cc2nn1C 888100293 LBZQJLFMHQLDQN-ZDUSSCGKSA-N 381.458 0.664 0 50 GCAA O=C(O)c1ccccc1S(=O)(=O)N1CCC(N2CCN(CCO)CC2)CC1 1506431791 ZLKIGLNNIJLAGJ-UHFFFAOYSA-N 397.497 0.148 0 50 GCAA Nc1nnc(CCNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)s1 1772819411 TZBYNALEDSMILY-JTQLQIEISA-N 394.526 0.877 0 50 GCAA Cn1nccc1CN1CCC2(CC1)CC(=O)N(CC[C@@H]1COCCO1)CCO2 1857682227 SLJQCRJFZURPOV-GOSISDBHSA-N 392.500 0.809 0 50 GCAA CO[C@H]1C[C@@H](C(=O)N2CCNC(=O)C2)CC[C@@H]1NS(=O)(=O)c1ccccc1 1857704394 QBHGLBLZYHCERX-BPUTZDHNSA-N 395.481 0.107 0 50 GCAA Cc1cccc(N=c2[nH]c(CN3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)nc(=N)[nH]2)c1 1857727469 SRIUEGJVTYQWML-GJZGRUSLSA-N 383.456 0.190 0 50 GCAA CC(C)Cc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc(O)n1 2356147428 VZQHDOZCMYNPPQ-SMDDNHRTSA-N 386.474 0.017 0 50 GCAA CC1(C)Cc2c(sc(NC(=O)C(=O)NC[C@@H]3CCCO3)c2C(N)=O)CO1 6755502 GJWWTIRKSZPFBT-VIFPVBQESA-N 381.454 0.932 0 50 GCAA CCN1CCC[C@@H](CN(C)C(=O)CCn2nnnc2CN2CCOCC2)C1 19335268 RTDYDOXJEZUALS-INIZCTEOSA-N 379.509 0.086 0 50 GCAA CCCS(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1C[C@H]1CCCO1 20911215 ZCAKKJFOACRNRH-QGZVFWFLSA-N 398.529 0.910 0 50 GCAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)CN)C2 77319101 QKPUQROATAVRQY-UHFFFAOYSA-N 380.495 0.807 0 50 GCAA COCCOCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 85534006 VGMYCUHKKOCZAU-QGZVFWFLSA-N 381.517 0.975 0 50 GCAA CC(C)Cc1cc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)no1 91433961 BZCFNPAMAQAVFE-CABCVRRESA-N 378.473 0.574 0 50 GCAA COCC(=O)N1CCN(Cc2cncn2C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 97370507 SBNADNKEGBWRGE-DLBZAZTESA-N 396.513 0.454 0 50 GCAA COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2cncn2C)[C@H]2C(=O)N(C)C(=O)[C@H]21 209907339 ZEXBDPZTYNYRAT-ULMVMLMRSA-N 382.420 0.450 0 50 GCAA NC(=O)C1(C(=O)N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)CC1 216545656 LKIXNMAQMCDEDR-IRXDYDNUSA-N 390.459 0.175 0 50 GCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2 220467524 LPGVTDYUEIQPQG-HZPDHXFCSA-N 377.441 0.246 0 50 GCAA O=C(CN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1)NC1CC1 265633987 KCTCHEHQQKIVOZ-UHFFFAOYSA-N 389.431 0.392 0 50 GCAA Cc1cc(C)c(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C)c1 276518824 SMLHNWHOQYQMGD-ROUUACIJSA-N 380.510 0.456 0 50 GCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(CCc2ccc3c(c2)CCO3)CCO1 328602395 BOQLDWVDCZJZOW-MRXNPFEDSA-N 398.481 0.211 0 50 GCAA NC(=O)c1cccnc1N1CCN(Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1 952980170 DDYVHZQXKORHSK-INIZCTEOSA-N 397.483 0.884 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)NCCn3ccnn3)OCC(=O)N2C2CC2)cc1 1529144159 OWUBBQCBQHEQOV-MSOLQXFVSA-N 385.424 0.534 0 50 GCAA Cc1nc2ccccc2n1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NS(C)(=O)=O 1565510367 BHVLLIQXSBLUPY-FKSAFCJBSA-N 378.454 0.166 0 50 GCAA O=C1CN(CC(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)C(=O)N1 1565515120 ARRKRFBKJHFVIO-PBHICJAKSA-N 382.464 0.628 0 50 GCAA CN1CC[C@H](N2CCC3(CC2)CC(=O)N(Cc2cscn2)CCO3)C1=O 1857687700 AHWATMUXAAPNRE-HNNXBMFYSA-N 378.498 0.957 0 50 GCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)Cc3ccc(O)c(F)c3)C[C@H]2CO1 1857723622 NXMMMRNMTGUBDY-KKUMJFAQSA-N 379.432 0.510 0 50 GCAA O=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3Cl)C2)CCN1 1875246185 KDQWIIZDFHUMJU-CUOATXAZSA-N 383.807 0.307 0 50 GCAA NCCc1nc(C(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)cs1 1875266750 DFBVXGBVRKKSFS-WFASDCNBSA-N 388.449 0.801 0 50 GCAA CCn1ncc(Br)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1 2804626 YDWKKZRZDDYSFC-UHFFFAOYSA-N 393.307 0.953 0 50 GCAA COc1ccc(CNCCN2CCNC2=O)c(OC[C@H](O)CN2CCCC2)c1 12387696 RFFYKPJEXDXWBW-QGZVFWFLSA-N 392.500 0.646 0 50 GCAA C[C@H]1CN(Cc2nnnn2CC(=O)N(C)CCC2CCOCC2)C[C@@H](C)O1 19220701 SFQQAKVDIXRWEZ-GASCZTMLSA-N 380.493 0.557 0 50 GCAA CCn1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 71749505 ICRTVXXFMXXZOJ-INIZCTEOSA-N 391.516 0.982 0 50 GCAA Cc1nc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)no1 71767684 VJRMJYWIFKQMCF-MRXNPFEDSA-N 377.489 0.913 0 50 GCAA CS(=O)(=O)NC[C@@]1(O)CCCN(C(=O)CCn2cc(Cl)cn2)CC1 72132073 SRYWXOLZQDKWGH-CQSZACIVSA-N 378.882 0.219 0 50 GCAA CCn1cnnc1CN(C)C(=O)C[C@@H]1COCCN1C(=O)NC1CCCC1 72476039 SEGUNKNMJLDHQW-OAHLLOKOSA-N 378.477 1.000 0 50 GCAA O=C(CCC(F)(F)F)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77287694 AXKNBGIDRVGKOY-WDEREUQCSA-N 378.376 0.633 0 50 GCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ncc(F)cc3F)cc2C1 91551587 JXYCOOJJKXXLBE-UHFFFAOYSA-N 385.396 0.652 0 50 GCAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1 95361569 JZLUPKRHOVUXAY-HNNXBMFYSA-N 378.454 0.770 0 50 GCAA CN(C)c1cccc(C(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c1 96141784 GMKUIAIBGJYTKG-CXAGYDPISA-N 381.454 0.171 0 50 GCAA COCCn1nnnc1[C@H]1CN(C(=O)c2cc(C)n3nc(C)cc3n2)CCO1 215629442 BGDYAWPMAYORHD-CQSZACIVSA-N 386.416 0.193 0 50 GCAA O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 229656779 WAXMABDOCGPCDE-STQMWFEESA-N 385.511 0.934 0 50 GCAA CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 265995281 BWLCTRBINZMZGM-LBPRGKRZSA-N 375.516 0.565 0 50 GCAA C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 278361577 FIJPUBDOZBXIDE-HNNXBMFYSA-N 385.468 0.896 0 50 GCAA COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)cc2S1(=O)=O 408519253 GKZACWTVQSCARX-DOMZBBRYSA-N 395.481 0.677 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCN1CCCOC1=O 426707257 SIPDTPMBQUUVNI-KRWDZBQOSA-N 388.468 0.644 0 50 GCAA Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O 1565509918 RLPLXRMKBYXDLR-HOCLYGCPSA-N 384.436 0.403 0 50 GCAA CN1N=C(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(=O)O)cc2)CCC1=O 1565526683 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O=C(CN1CCN(c2ncccn2)CC1)N1CCc2nc(C3CC3)nn2CC1 2356162975 NYKOEVAEUBFNLP-UHFFFAOYSA-N 382.472 0.152 0 50 GCAA COc1cccc(CN2CCC[C@](O)(CNCCN3CCNC3=O)C2=O)c1 67741944 XWQBOACESYBMKT-IBGZPJMESA-N 376.457 0.164 0 50 GCAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)C1CCN(CCO)CC1)CC2 67896003 PJAXLAJYBKCLQL-UHFFFAOYSA-N 376.457 0.580 0 50 GCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cnn(C)c3)CC2)C1 71419389 YQTGQKNWISKIHC-OAHLLOKOSA-N 377.489 0.499 0 50 GCAA O=C(NC(CO)CO)c1coc(CN2CCN(c3ccccc3F)CC2)n1 91617098 DPTFAYAJUMGLPG-UHFFFAOYSA-N 378.404 0.219 0 50 GCAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(N)=O)cc2Cl)CC1 95519929 XVBZGHWBYMQDEG-UHFFFAOYSA-N 389.861 0.358 0 50 GCAA COC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCNCC3)c2)C1 97698652 IJLCEGJBOTYSRR-OAHLLOKOSA-N 381.498 0.779 0 50 GCAA CCCN(CC(=O)O)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 273388129 HJEANSCDXSQQMG-GOSISDBHSA-N 392.412 0.290 0 50 GCAA CS(=O)(=O)N1C[C@H]2CN(C(=O)Cc3ccccc3)C[C@]2(CCC(=O)O)C1 1772813061 UUIRBUIXJWAKIZ-CRAIPNDOSA-N 380.466 0.814 0 50 GCAA CN(C)S(=O)(=O)CCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)CCc1cccnc1 1857687567 YWPIPEKNFCLBQG-HOTGVXAUSA-N 394.497 0.107 0 50 GCAA CC(C)NC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCC(N)=O)sc12 1857687984 OEEPNBQZIHJJNC-UHFFFAOYSA-N 394.497 0.945 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCCCC2)C[C@@H]1O 1857737350 IOEDYCDYZCMVSC-ZFWWWQNUSA-N 384.502 0.782 0 50 GCAA Cc1nn(C)c(-n2cncn2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1875392205 GBTUCMACTLJUFF-AWEZNQCLSA-N 385.350 0.592 0 50 GCAA CCCO[C@@H]1CC[C@H](C(=O)NCC(=O)NC)C[C@H]1NC(=O)c1ccc(=N)[nH]c1 2100539405 HFTHTWZPIMUTCK-NWANDNLSSA-N 391.472 0.050 0 50 GCAA CCn1ncnc1CN1CC[C@]2(C1)c1ncn(C)c1CCN2C(=O)c1cnco1 2325776802 AJNYDCZZULVRBX-IBGZPJMESA-N 396.455 0.819 0 50 GCAA CN(C)c1ccc(C(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)cn1 2325812945 WYLKVMIEVKMCPC-HNNXBMFYSA-N 389.456 0.822 0 50 GCAA Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H](CO)[C@H](O)c1ccc(Cl)cc1 2325860425 HVTPTWCNGBQDJS-SUMDDJOVSA-N 394.855 0.772 0 50 GCAA O[C@H](COc1ccccc1CNCCN1CCOCC1)CN1CCSCC1 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CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 369943924 GZXHHAKKUAYULY-ULQDDVLXSA-N 387.484 0.931 0 50 GCAA O=C(NCc1cn2c(n1)SCC2)N1CCCN(C(=O)[C@H]2CCCO2)CC1 426678191 UYKYJXRJOMTJIA-CQSZACIVSA-N 379.486 0.912 0 50 GCAA O=C1C[C@@H](Cc2ccc(C(=O)Nc3ccc(-n4nnnc4O)cc3)cc2)C(=O)N1 473244286 WVSHHBSOKWXZPU-CYBMUJFWSA-N 392.375 0.825 0 50 GCAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C[C@@H](O)CN(C)C3CC3)C4)C[C@H]2C1 952890664 GBYWZPSHYJAWAK-SCTDSRPQSA-N 386.544 0.288 0 50 GCAA CSCC(=O)N1C[C@H]2CN(C(=O)CCCn3cncn3)C[C@]2(CN(C)C)C1 1772706830 PQZGDHXIIAXSFF-CRAIPNDOSA-N 394.545 0.270 0 50 GCAA CC1(C)CNC(=O)C2(CCN(C(=O)[C@@H]3CCCCn4nnnc43)CC2)NC1 1772806093 ZAEROSBKERCNCJ-CYBMUJFWSA-N 375.477 0.047 0 50 GCAA Cn1ncnc1CCNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772811185 UIZGXAAEMOQHFQ-GFCCVEGCSA-N 376.486 0.572 0 50 GCAA CS(=O)(=O)N1C[C@H]2CN(C(=O)Cc3ccccc3)C[C@@]2(CCC(=O)O)C1 1772813063 UUIRBUIXJWAKIZ-QAPCUYQASA-N 380.466 0.814 0 50 GCAA NC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3cccc(O)n3)CC(=O)N2[C@@H]1c1ccccc1 1857683514 HWWBTQAUBFTYII-HBUWYVDXSA-N 380.404 0.687 0 50 GCAA O=S1(=O)CC[C@H](CCS(=O)(=O)NCCc2nc3c(s2)CCC3)C1 1857693607 DPODXNGHNRUDND-LLVKDONJSA-N 378.541 0.919 0 50 GCAA CS(=O)(=O)NCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857732389 OFCGQYQWFIDPBY-HZPDHXFCSA-N 382.482 0.809 0 50 GCAA COCc1cc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3cscn3)C2)[nH]n1 1875249636 LRXQYHGUWSOWSI-WFBYXXMGSA-N 379.442 0.198 0 50 GCAA COc1nn(C)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1875278944 CDMKOOUDDQTORU-WPRPVWTQSA-N 399.395 0.715 0 50 GCAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 1875310891 GFFXEDLOZFIODT-VIFPVBQESA-N 379.364 0.211 0 50 GCAA C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1)c1ccc(F)cc1 1875316855 JMLXAXWIKISAFC-LVGORTOPSA-N 375.400 0.745 0 50 GCAA CO[C@@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[C@H]1NC(=O)c1ccc(O)nc1 2100536902 DYILFWSTRPNSDB-APHBMKBZSA-N 377.441 0.684 0 50 GCAA Cn1cc(OC2CN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)C2)cn1 2325802762 ZZAOGFICODEHMJ-UHFFFAOYSA-N 385.467 0.495 0 50 GCAA Cn1cc(C2CCN(C(=O)C(=O)N3CCC(O)(c4cc[nH]n4)CC3)CC2)cn1 2325820326 OIQNUBFHXITMJY-UHFFFAOYSA-N 386.456 0.359 0 50 GCAA Cc1cc(C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)ncn1 2325895622 FLRJSDFZZHVPDA-OAHLLOKOSA-N 379.376 0.798 0 50 GCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCCN(C=O)CC1 11998564 HYOCFMZBIANXHJ-KRWDZBQOSA-N 388.468 0.076 0 50 GCAA COC(=O)[C@]1(CO)N[C@H](c2ccoc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 65397398 KUKWUMQBIMZNBH-AXHMDWHKSA-N 384.388 0.629 0 50 GCAA O=C(NCC1(N2CCOCC2)CCCC1)c1cn(C[C@@H]2CCCNC2)nn1 65501687 AJILMGNGZFXPLO-MRXNPFEDSA-N 376.505 0.653 0 50 GCAA CCC(=O)N1CCN(Cc2cc3ccccc3[nH]c2=O)[C@H]2CS(=O)(=O)C[C@H]21 72474154 RYHYHHVXHUJMDA-DLBZAZTESA-N 389.477 0.748 0 50 GCAA COCc1cc([C@@H]2N[C@](C)(C(=O)OC)[C@@H]3C(=O)N(C)C(=O)[C@H]23)ccc1OC 210030969 QYJSMVGFXMTZGD-XLPNERPQSA-N 376.409 0.649 0 50 GCAA O=C([C@@H]1CN2CCCN1CC2)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 329159289 XNCPDNUCVMPGKK-STQMWFEESA-N 388.394 0.130 0 50 GCAA 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386.412 0.197 0 50 GCAA COc1ccc(CCCC(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529180671 HVOSDRBILJTOAC-DOTOQJQBSA-N 384.498 0.729 0 50 GCAA CC1(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)c4cnc(O)[nH]4)CC3)[C@H]2O)CC1 1772701249 MUGWGSJNJAHOFD-KBXCAEBGSA-N 392.456 0.546 0 50 GCAA Cn1cc(Br)c(=O)c(C(=O)N[C@H]2C[C@@H](Cn3cccn3)C[C@@H]2O)c1 1857530950 CKHMXVNNCDKTNJ-SWHYSGLUSA-N 395.257 0.914 0 50 GCAA COCCn1nnc([C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)CCO2)n1 1857719642 QJIZIQSJRDLOMS-CQSZACIVSA-N 383.430 0.090 0 50 GCAA Cc1nnc(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCn3cccn3)C2)s1 1875246404 FRFYSHXSWAALHK-BFHYXJOUSA-N 392.485 0.048 0 50 GCAA CS[C@@H](C)C(=O)N1CCCO[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)C1 1875302329 LAUOFZSBCZXNPX-STQMWFEESA-N 394.559 0.685 0 50 GCAA CN1CCC(c2nc(C(F)(F)F)n3c2CN(CCS(N)(=O)=O)CC3)CC1 1875395609 GUJWFNGTLXTGNM-UHFFFAOYSA-N 395.451 0.815 0 50 GCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCC3(OC)CCOCC3)C2)n1 1875396798 BXRHBXXSTLJLBT-OAHLLOKOSA-N 377.489 0.817 0 50 GCAA 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O=C(CN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1)NCCc1ccccc1 1565531429 NSYTUGPVNDRAFB-HKUYNNGSSA-N 382.464 0.606 0 50 GCAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)CSCC)CC2)[C@H]1O 1704309023 VSDBRMAKORKBEL-DLBZAZTESA-N 388.530 0.793 0 50 GCAA CN(C)C[C@]12CN(Cc3nccs3)C[C@H]1CN(C(=O)CN1CCOCC1)C2 1772806922 MEOUCDYAGUXKTB-QFBILLFUSA-N 393.557 0.297 0 50 GCAA CCCc1nnc(N2C[C@@H](C(=O)N3CC4(CNC(=O)N4C)C3)CC2=O)s1 1857711917 IMHADGORMPMNES-JTQLQIEISA-N 378.458 0.080 0 50 GCAA COC(=O)c1ccc(=Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)[nH]n1 1857797707 BOVAETPJKZOBBP-CQSZACIVSA-N 395.375 0.190 0 50 GCAA CN1C(=O)[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1875244569 VAQPNGCUIHYLJW-OLZOCXBDSA-N 382.438 0.326 0 50 GCAA COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[S@](=O)CC1 1875302620 ZEOMASOTXKJGAM-GNDHETMUSA-N 376.475 0.812 0 50 GCAA C[C@@H]1CCN(C(=O)CNc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893108 OIQPSJUGWQCPRH-WBMJQRKESA-N 384.436 0.728 0 50 GCAA 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CCNC(=O)[C@@H]1CCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1 55166489 GFASDNUQGGCRKZ-QGZVFWFLSA-N 375.469 0.882 0 50 GCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(Cl)nc3)nn2)CN1 67447161 DEOQLVAAYNIDLQ-NEPJUHHUSA-N 378.824 0.297 0 50 GCAA COc1cc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1O 77377095 ZZXHQDFZEAVLLG-CABCVRRESA-N 380.466 0.734 0 50 GCAA CCc1n[nH]c(SCC(=O)N2CC[C@@]3(CCCN(CCOC)C3=O)C2)n1 91434182 IUFLOVWPJYQMQN-KRWDZBQOSA-N 381.502 0.947 0 50 GCAA Cc1cc(C)n(CC(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)n1 276637455 XMBBMOSCUOFJJD-INIZCTEOSA-N 387.488 0.794 0 50 GCAA Cc1noc([C@@H]2CCCCN2C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 329268748 IFEHVSJNKKKWJK-QPHFJENPSA-N 388.424 0.984 0 50 GCAA C[C@H]1CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C[C@H](C)S1(=O)=O 329780580 MSLGHXQXHZHQHB-RYUDHWBXSA-N 378.516 0.225 0 50 GCAA Cc1nc(O)c2c(n1)CN(C(=O)C1CCN([C@H]3CCS(=O)(=O)C3)CC1)C2 426566862 IDHXGPCJGXMYPQ-ZDUSSCGKSA-N 380.470 0.232 0 50 GCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 1506408790 XCSOMLYAXAEMOY-CYBMUJFWSA-N 377.488 0.027 0 50 GCAA CCCc1cc(=O)n(-c2ccc(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)[nH]1 1506417315 IOOAPAHKUCMMKR-HZPDHXFCSA-N 393.465 0.348 0 50 GCAA COc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c(OC)cc1Cl 1704310934 VZXOGMKMZGCEOE-WCBMZHEXSA-N 379.818 0.813 0 50 GCAA CCOC(=O)N1CCC(N2C[C@@H]3CN(Cc4nccn4C)C[C@@]3(CO)C2)CC1 1772702013 IVGDDFZXZHTVFY-JXFKEZNVSA-N 391.516 0.767 0 50 GCAA Cc1nsnc1C(=O)N1C[C@@H]2CN(c3nccc(N)n3)C[C@]2(CN(C)C)C1 1772805968 SEGNQZDFWSAWNW-PXAZEXFGSA-N 388.501 0.359 0 50 GCAA C[C@](O)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nn1)C1CCC1 2325829747 RBHZSQBBVOLOTF-MMMWYMCRSA-N 389.456 0.216 0 50 GCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 12707446 YWAKCXHPBWAPTG-HNNXBMFYSA-N 376.457 0.411 0 50 GCAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(n2cc(CCO)nn2)CC1 23398238 STQBWFZIYWLCPS-AWEZNQCLSA-N 375.473 0.768 0 50 GCAA COc1cccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 65365141 PBMQDTWCIPJVFX-LBPRGKRZSA-N 383.470 0.574 0 50 GCAA CCC[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 77484995 WSXDOQIZUIRUGL-KRWDZBQOSA-N 381.498 0.720 0 50 GCAA COc1cccc(C(=O)N2CCN(Cc3c[nH]cn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 82087314 BKISUEYPMAQGIG-SJORKVTESA-N 390.465 0.542 0 50 GCAA CS(=O)(=O)NC1CCN(Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)CC1 91794355 OABUNUZJENWXMA-UHFFFAOYSA-N 378.454 0.141 0 50 GCAA Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c(=O)n1C 91931497 OTYFRHXPNYEONN-AEFFLSMTSA-N 377.485 0.629 0 50 GCAA Cc1nnc(CN(C)C(=O)Cn2nnnc2CN2CCc3ccccc3C2)o1 95518056 VNBOLBDGXMXWPP-UHFFFAOYSA-N 382.428 0.581 0 50 GCAA COC[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2)c1 97711689 UPWBGXCHSBFWCG-JKSUJKDBSA-N 381.498 0.968 0 50 GCAA CCOC(=O)c1ccc(S(=O)(=O)NN2C(=O)NC3(CCCCC3)C2=O)o1 170610571 NLMNZNMLLWKGCW-UHFFFAOYSA-N 385.398 0.904 0 50 GCAA COC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 219898197 NBJDZLXJSCYYED-AWEZNQCLSA-N 375.429 0.450 0 50 GCAA CN1CCc2[nH]nc(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)c2C1 222221723 WXMMHULMDFCDCD-CABCVRRESA-N 377.470 0.958 0 50 GCAA CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 252536746 JKYSXKWVASGSRQ-IOASZLSFSA-N 385.486 0.329 0 50 GCAA CN(CC(=O)N1CCNC[C@@H]1c1nccn1C)S(=O)(=O)c1ccccc1 261693682 IQWBIWULEPXMMM-OAHLLOKOSA-N 377.470 0.214 0 50 GCAA Cn1cc(CN(C(=O)c2ccc(F)cc2Cl)[C@H]2CCNC2)c(=O)n(C)c1=O 328622033 AXDLCYJROZRPFP-ZDUSSCGKSA-N 394.834 0.881 0 50 GCAA C[C@H](NC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1)[C@H](C)N1CCOCC1 429405439 NQIWHMMRZSVDDD-RYUDHWBXSA-N 390.444 0.608 0 50 GCAA C[C@H](C(N)=O)N1CCOC2(CCN(Cc3cccc(OCCO)c3)CC2)C1 828771349 LZPQBDQFWFXRBC-MRXNPFEDSA-N 377.485 0.598 0 50 GCAA C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ncnc2c1ncn2CC1(CO)COC1 888097628 LLCDMCONOAHFMD-RYUDHWBXSA-N 383.474 0.093 0 50 GCAA Cc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704297734 VYPGFBJXVCUOKX-HOCLYGCPSA-N 394.497 0.757 0 50 GCAA Cn1ccnc1CN1C[C@@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@@]2(CO)C1 1772815632 XFAIOIJECYZYRF-IIBYNOLFSA-N 392.463 0.930 0 50 GCAA CN1CCCN(CC(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)CC1 1857680649 RMFQTEHYJPLQEU-NRFANRHFSA-N 386.496 0.900 0 50 GCAA Cc1nc[nH]c1CN1C[C@H]2[C@H](NC(=O)c3cccnc3)CS(=O)(=O)[C@H]2C1 1857684171 BMWLDOOACBCRLB-IMJJTQAJSA-N 375.454 0.141 0 50 GCAA O=C(c1cnccn1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857687248 MUWIVQKIHPFXIL-HXUWFJFHSA-N 396.451 0.929 0 50 GCAA N=c1ccnc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4Cc3c[nH]nc3C(=O)O)C2)[nH]1 1857729300 WMHBSSFWDOWMJQ-BDQBCWGISA-N 399.455 0.713 0 50 GCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCN(CCN2CCNC2=O)CC1 1875314657 KYNRIDAUYADNOI-KGLIPLIRSA-N 390.488 0.225 0 50 GCAA CCC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC[C@@H]1C 1875357919 BRANTHIVVDVBFN-BPKBQXTESA-N 380.489 0.156 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 2356167316 XBOMTQFBAGOMFI-HNNXBMFYSA-N 396.407 0.691 0 50 GCAA CCS[C@@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 5593167 SHOZEHWXMDPAJF-RMEBNNNOSA-N 378.399 0.780 0 50 GCAA CCN1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7724482 BHZMLFCNDXNWKM-INIZCTEOSA-N 381.498 0.922 0 50 GCAA CCOc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2c(N)nc(N)[nH]c2=O)cc1 12411955 KGGHJRYYCLEYKT-UHFFFAOYSA-N 394.395 0.814 0 50 GCAA COc1ccc(-n2c(C)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 13815263 OKODISVFLHLRPV-UHFFFAOYSA-N 383.408 0.838 0 50 GCAA O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCN1CCOC1=O 20776329 OMLBHSFABDGUDT-QGZVFWFLSA-N 388.468 0.378 0 50 GCAA CCn1c([C@H]2CCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)n[nH]c1=O 67472808 CUWBHNNMXWFZNF-AWEZNQCLSA-N 392.481 0.944 0 50 GCAA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1=O 72128819 APXKTDHDPAKWER-CYBMUJFWSA-N 378.379 0.997 0 50 GCAA Cc1nc[nH]c1C(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72409020 OJGWJXKQPVNMAW-CABCVRRESA-N 375.454 0.237 0 50 GCAA COc1ccc(OC[C@H](O)CN(C)C)c(CN2CCN(C(=O)N(C)C)CC2)c1 95526166 KGUHMQDAMUPEBM-QGZVFWFLSA-N 394.516 0.796 0 50 GCAA Cc1[nH]cnc1CNS(=O)(=O)c1cccc(C(=O)N2CCCNCC2)c1 97546643 UAVHRVVGRMOVGS-UHFFFAOYSA-N 377.470 0.632 0 50 GCAA COC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)[nH]nc1-2 263588251 QVSUIYLVCWMKFP-UHFFFAOYSA-N 384.348 0.508 0 50 GCAA CC(=O)N1CCc2c(ncn(CC(=O)NCCOc3cccc(C)c3)c2=O)C1 275604685 QPHKQCXDHNEANH-UHFFFAOYSA-N 384.436 0.652 0 50 GCAA Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CC(=O)N(C3CC3)C2)CC1 363955616 VYZXKFQCPHOJID-UHFFFAOYSA-N 384.480 0.980 0 50 GCAA NC(=O)[C@H](c1ccccc1)N1CCN([C@H](C(N)=O)c2ccccc2)CC(O)C1 371085116 DKHOYCQIMCNZKV-OALUTQOASA-N 382.464 0.418 0 50 GCAA COc1ccc2nc(CNC(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 670453878 LEEPBNONOREHFT-GFCCVEGCSA-N 380.470 0.697 0 50 GCAA O=C1CC[C@H](OC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)C(=O)N1 798659664 DDCYXONOMAIBFF-HOTGVXAUSA-N 381.388 0.771 0 50 GCAA COc1ccc(CN2CCC(=O)N(CC(=O)N(C)C)CC2)c(OC)c1OC 1506430213 YNGYUFNLHGJGEK-UHFFFAOYSA-N 379.457 0.835 0 50 GCAA O=C(CCc1cc(O)no1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857708834 PQIGIPJTRWMZEV-RYUDHWBXSA-N 393.421 0.653 0 50 GCAA O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](c2cccc(O)c2)C1 1875267941 LQTBBYUYFCACNZ-XHSDSOJGSA-N 392.477 0.744 0 50 GCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)C1 1875371531 DXCZKIYXSMZCOW-LLVKDONJSA-N 398.510 0.824 0 50 GCAA Cc1ocnc1C(=O)N1CCc2c(ncn2C)[C@@]12CCN(C(=O)[C@H]1CCOC1)C2 2325776892 LYQHVVABXWYKOJ-XOBRGWDASA-N 399.451 0.879 0 50 GCAA Cn1nc2n(c1=O)C[C@@H](C(=O)Nc1c(-c3ccccc3)cnc3ncnn13)CC2 2356165781 OCJQWSDTXVGCIZ-ZDUSSCGKSA-N 390.407 0.888 0 50 GCAA CC(C)OC[C@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C 629409 UXZOZEGMVHTWOK-LLVKDONJSA-N 377.401 0.414 0 50 GCAA biogenic CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 13680815 FETUYGAXRNGWAA-UHFFFAOYSA-N 380.514 0.854 0 50 GCAA Cc1cnc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1N 71755464 YBXINNOASBAIAD-MRXNPFEDSA-N 388.516 0.907 0 50 GCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 91270463 ICZUHUAKFRQVIS-FQEVSTJZSA-N 388.468 0.555 0 50 GCAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NCC3(CO)CC3)c2)cn1 95361891 MXTDBRZWRCRAJZ-UHFFFAOYSA-N 378.454 0.401 0 50 GCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1nc3ccccc3n1)C2 95379731 ITDOKBNRKBOMFZ-UONOGXRCSA-N 392.485 0.161 0 50 GCAA CC(=O)N[C@H]1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96149101 SKFBYVUXSIIYRM-ZDUSSCGKSA-N 377.445 0.390 0 50 GCAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)n(C)n1 97514304 MTMPWMNLNNUSJS-CQSZACIVSA-N 378.454 0.726 0 50 GCAA Cc1ccc(OCC(=O)N(Cc2cn(C)c(=O)n(C)c2=O)[C@@H]2CCNC2)cc1 328635389 NJBGAQMHIGJSMK-MRXNPFEDSA-N 386.452 0.162 0 50 GCAA Cc1cnc(-c2ccc(C(=O)NCCNS(C)(=O)=O)cc2)nc1N(C)C 426640328 BYYSSFBJLWBECJ-UHFFFAOYSA-N 377.470 0.797 0 50 GCAA O=C(CCn1ccc(O)nc1=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670439056 ZWSABOQXGPMDGG-NLKGSNSHSA-N 385.428 0.190 0 50 GCAA CN1C[C@@H]2C[C@H](N(C)C(=O)COc3ccc(-n4cnnn4)cc3)C[C@@H]2CC1=O 1529125935 AMPHSMMAFBLPSW-IJEWVQPXSA-N 384.440 0.756 0 50 GCAA CN(C)CC(C)(C)CN1CCN(Cc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 1565511331 NOYVANOEBDSIHR-ZWKOTPCHSA-N 380.558 0.953 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1cc(F)c(F)c(F)c1 1704297440 RYOUBGZJVPGRHG-GXFFZTMASA-N 380.388 0.669 0 50 GCAA COCC(=O)N1C[C@@H]2CN(C(=O)c3cccc(NC(C)=O)c3)C[C@]2(CO)C1 1772709298 NQMAHZAFILMQNA-BEFAXECRSA-N 375.425 0.184 0 50 GCAA Cc1nnc(N2C[C@H](C(=O)N3CCN(Cc4ccccn4)CC3)CC2=O)s1 1857708603 CCJCLLAFXQPFNM-CQSZACIVSA-N 386.481 0.939 0 50 GCAA O=C(N[C@@H]1C[C@H](C(=O)NCc2[nH]nc3ncccc23)C[C@H]1O)c1cscn1 1875250679 WOAOWMRYQTXLON-DRCTWCGVSA-N 386.437 0.600 0 50 GCAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356168988 RLGBCTPCUYWBBI-INIZCTEOSA-N 382.468 0.540 0 50 GCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H](O)C(Cl)(Cl)Cl 731997 YCUVPZIWXRUPKS-JTQLQIEISA-N 387.628 0.636 0 50 GCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(C)CC1 65362535 YXBMBVOJYQZAEA-UHFFFAOYSA-N 397.497 0.540 0 50 GCAA CCn1c([C@@H]2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)n[nH]c1=O 67473443 BCGJAWSFACZLHI-CYBMUJFWSA-N 382.424 0.858 0 50 GCAA C[C@H](NS(C)(=O)=O)C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 67871836 VEEUTVQZTQOGSK-LBPRGKRZSA-N 399.517 0.969 0 50 GCAA O=C(NCc1nnnn1-c1ccccc1)[C@@H](c1cccnc1)N1CCOCC1 95520187 WEABQGUPVZHHCK-GOSISDBHSA-N 379.424 0.747 0 50 GCAA Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)no1 216555367 WYUUEAIXHDMMLT-LSDHHAIUSA-N 390.421 0.142 0 50 GCAA Cn1c(=O)c2cc(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)cnc2n(C)c1=O 268975463 MLILBERPYHVWFF-CYBMUJFWSA-N 399.451 0.296 0 50 GCAA CNC(=O)c1ccn([C@@H]2CCCN(C(=O)c3cncc(-n4ccnn4)c3)C2)n1 283316890 WTQVCYONEJCSPZ-CQSZACIVSA-N 380.412 0.696 0 50 GCAA CSCCC(=O)N1CCC(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)CC1 824892190 GRMLXMDMFCXXPB-HNNXBMFYSA-N 384.546 0.292 0 50 GCAA Cc1noc(COCC(=O)N2CCc3nnc(N4CCCOCC4)cc3C2)n1 952890750 IHUBQJNDEQHSMA-UHFFFAOYSA-N 388.428 0.496 0 50 GCAA CN1CCN(C(=O)c2ccnc(N3C[C@@H](O)[C@H](Cc4ccccn4)C3)c2)CC1 1704308968 UGATXMDLHMEPIG-IEBWSBKVSA-N 381.480 0.904 0 50 GCAA Nc1ncc(CN2C[C@@H]3CN(C(=O)c4ccncc4Cl)C[C@@]3(CO)C2)cn1 1772818364 RBJDLYZZHYSTRS-FZKQIMNGSA-N 388.859 0.674 0 50 GCAA C[C@@H](C(=O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1)N1CCOCC1 1775962838 MSMZQPBYYHVIRQ-INIZCTEOSA-N 379.501 0.727 0 50 GCAA O=C1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)Cn2nc3ccccc3n2)N1 1857682470 KYKDXAOKKCOERU-FKPWOLHESA-N 396.451 0.063 0 50 GCAA O=C(NCCO)c1cc2c(s1)C1(CCN(C(=O)[C@@H]3CCCN3)CC1)OCC2 1857687786 FCSFAXMAFJOLKT-AWEZNQCLSA-N 393.509 0.613 0 50 GCAA O=S(=O)(CCn1ccnc1-c1cn(-c2ccccc2)nn1)N1CCOCC1 1857737228 CBRSCUMCVWTMGP-UHFFFAOYSA-N 388.453 0.793 0 50 GCAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCS(=O)(=O)CCO1 1875318972 WWVWBKHSYZPYES-AWEZNQCLSA-N 388.467 0.028 0 50 GCAA CNS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](OC)[C@H](Nc2cc(C)ncn2)C1 2100542833 HZMLMVGVPBBGMA-BFHYXJOUSA-N 385.490 0.046 0 50 GCAA Cc1nonc1CC(=O)N1CCc2c(ncn2C)[C@]12CCN(C(=O)C1CCC1)C2 2325776857 FKSZETQXKDJIHW-HXUWFJFHSA-N 398.467 0.967 0 50 GCAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CN(c3ncnc4n[nH]cc34)C[C@@H]2[C@H]1C(=O)NC1CCC1 2356138434 BJGORSPYOKUZEG-AHWPKJFASA-N 386.456 0.062 0 50 GCAA O=P(O)(O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 3609266 GHJWNRRCRIGGIO-UHFFFAOYSA-N 386.255 0.853 0 50 GCAA world O=C1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CCN1 12052835 HIKHRVHGFGQCDT-QGZVFWFLSA-N 379.526 0.797 0 50 GCAA Nc1nc(N)c(-c2c(-c3ccc4c(c3)OCO4)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1 12375218 BGHFGVOSGWTMHX-UHFFFAOYSA-N 394.351 0.144 0 50 GCAA CC(C)N1CCO[C@H](CC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)C1 91656091 KNHPCPJPDSMTGA-QGZVFWFLSA-N 392.504 0.496 0 50 GCAA O=C1C[C@@H](C(=O)O)C2(CCN(S(=O)(=O)c3ccccc3C(=O)O)CC2)N1 95374849 WIMXVBFWINFVIA-NSHDSACASA-N 382.394 0.129 0 50 GCAA O=C(NC[C@H]1CCCN(C(=O)c2c[nH]nc2-n2cnnn2)C1)c1cccs1 95508135 OVATYPDUOWTECP-LLVKDONJSA-N 386.441 0.729 0 50 GCAA Cn1cc(S(=O)(=O)NC[C@@H]2CCOc3ccccc3C2)c(=O)n(C)c1=O 97654029 MFBZOVZMIRPVQV-GFCCVEGCSA-N 379.438 0.004 0 50 GCAA CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 263459477 VIUOARPWUGYABP-CQSZACIVSA-N 382.438 0.881 0 50 GCAA Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 408448524 WHKFAANJNRTMCS-UHFFFAOYSA-N 380.513 0.743 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N[C@H]2CC[C@H](O)CC2)cc1OC 1529110054 KEEYAJCNNNPDKW-HLNSBACISA-N 378.425 0.680 0 50 GCAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCNC(=O)CC3)OCC(=O)N2C2CC2)cc1 1529167951 SCRATDMZCHYCCV-MOPGFXCFSA-N 387.436 0.475 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C[C@H]1O 1529178441 LLMCUSUKJMKMPU-DLBZAZTESA-N 398.525 0.714 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F 1704300507 YCIHLVVFOLSGQQ-CABZTGNLSA-N 384.426 0.150 0 50 GCAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@@H]1CNC(=O)N1C 1875313251 NHABUKOOQSBZJZ-JTQLQIEISA-N 391.833 0.194 0 50 GCAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)CC23CCC(CC2)CO3)C1=O 1875328786 MTMYWHJSEMBOMG-UUCFBXCCSA-N 382.486 0.794 0 50 GCAA COc1c(F)cccc1C(=O)N[C@@H]1C[C@H](C(=O)NCCn2cccn2)C[C@H]1O 1940197705 KMBFORRGEGHNPU-APHBMKBZSA-N 390.415 0.717 0 50 GCAA CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325886832 LAKLLSGBRPJFAB-PVAVHDDUSA-N 399.447 0.879 0 50 GCAA C=CC(=O)N1CCCc2cc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)OC)ccc21 2325889701 JVHAEEYQBPCLIX-MRXNPFEDSA-N 385.420 0.608 0 50 GCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CCCC[C@H]4C(=O)O)cc3C2=O)C(=O)N1 2325897425 WWCCOVYRUSSBEV-CABCVRRESA-N 399.403 0.527 0 50 GCAA Cn1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N[C@H](C2CC2)C(F)(F)F)n1 2332237640 FVOVYNJBKKCIDW-JHJVBQTASA-N 394.419 0.380 0 50 GCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCc1nnc(O)n1C 2356166011 SPVLTDIIOVBGIR-UHFFFAOYSA-N 383.408 0.771 0 50 GCAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)[C@H](O)[C@@H]1O 16662548 AKQXPEKSBPJGCT-IYBDPMFKSA-N 398.462 0.019 0 50 GCAA CCS[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 34239478 BHOPGYBLLSFEGH-LJIZCISZSA-N 391.442 0.396 0 50 GCAA in-vitro CN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1)C1CCNCC1 97572177 RMWMGNDBAPZARB-AWEZNQCLSA-N 381.498 0.825 0 50 GCAA COc1ccnc(CNC(=O)c2cccc(S(=O)(=O)N3CC(O)C3)c2)c1 97657157 CPDQVVLHBPFFNK-UHFFFAOYSA-N 377.422 0.385 0 50 GCAA COC(=O)C1=C(O)[C@H](C(=O)OC)[C@@H]2C[C@H]1[C@H](C(=O)OC)C(O)=C2C(=O)OC 100282111 POUJXYTVMNZVIK-MCHASIABSA-N 384.337 0.185 0 50 GCAA O=C1NCCN(Cc2nnnn2CC(F)(F)F)[C@H]1Cc1nc2ccccc2o1 375724101 UEPWPTSTHPIULG-NSHDSACASA-N 395.345 0.920 0 50 GCAA Cc1cc(O)nc(NCCNC(=O)NCC2CCN(C(=O)C(C)C)CC2)n1 426597430 QTHSFNVTCQCKOM-UHFFFAOYSA-N 378.477 1.096 0 50 GCAA CN1CC[C@@H](NC(=O)c2cc3c(s2)C2(CCN(C(=O)CO)CC2)OCC3)C1 1857694268 IKHSXZCONZCIDX-CQSZACIVSA-N 393.509 0.565 0 50 GCAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857705710 RYNABWBUYADWFG-IKGGRYGDSA-N 391.516 0.406 0 50 GCAA Cc1cn(CC(=O)N2CCC([C@H](O)CN3CCCCC3)CC2)c(=O)nc1O 1857723905 BOPAYTBPPZNODJ-MRXNPFEDSA-N 378.473 0.343 0 50 GCAA Cc1ncc(CCNC(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)s1 1875393002 CQWYVMODGWRJBK-CQSZACIVSA-N 383.499 0.403 0 50 GCAA COCCN1CCC[C@@H](CNc2nc3nonc3nc2N2CCOCC2)C1 12581755 QRLZPRUJYLDPMQ-ZDUSSCGKSA-N 377.449 0.620 0 50 GCAA CO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CC1 25758676 SYHSDOOWPNQIAY-JTQLQIEISA-N 390.845 0.906 0 50 GCAA CCS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 33358925 YPNFVZQPWZMHIF-LJIZCISZSA-N 392.426 0.823 0 50 GCAA in-vitro CCc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77406625 DJSXONKTOKZUBR-LSDHHAIUSA-N 386.495 0.132 0 50 GCAA COCCOCC(=O)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 91586789 LGNUTPOLNFHANB-MRXNPFEDSA-N 378.473 0.842 0 50 GCAA Cc1cn2c(=O)cc(CN3CC[C@@]4(CCCN(CCO)C4=O)C3)nc2s1 91997123 RUUNIIJVGZDRDG-SFHVURJKSA-N 376.482 0.871 0 50 GCAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1ccc(=O)[nH]c1=O)C2 95381223 VKOXEUAMSIGRCF-LSDHHAIUSA-N 386.456 0.081 0 50 GCAA C[C@H]1Oc2ccc(NC(=O)NCCSc3nnnn3C)cc2N(C)C1=O 96140935 PCLACBVXLQXWHG-SECBINFHSA-N 377.430 0.868 0 50 GCAA CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCn3cccn3)c2)C1 216421472 YJPFMVMMXJKZCM-OAHLLOKOSA-N 378.454 0.723 0 50 GCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@@H]([C@H]5[C@@H]2[C@]3(COC(C)=O)[C@]54OC(C)=O)[C@H]1C(=O)OC 253488247 AAIDZJWLJGLDMD-MWYUPWICSA-N 378.377 0.181 0 50 GCAA COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 261606170 DNAICXUFHDGPGE-SNVBAGLBSA-N 377.440 0.584 0 50 GCAA CC(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)CC1 299763893 YPRKBLJFPUMHNY-QZTJIDSGSA-N 378.473 0.601 0 50 GCAA NC(=O)[C@H]1COCCN1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 372145888 FZMQHFNAMXPBCR-QGZVFWFLSA-N 383.404 0.921 0 50 GCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cncn3)CC2)cc1 534585455 RAORBXBQJDAZON-UHFFFAOYSA-N 378.458 0.303 0 50 GCAA CN(C)[C@H]1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C[C@@H]1O 1704314035 VUXVGMLRQRASLB-HOTGVXAUSA-N 386.452 0.925 0 50 GCAA COC(=O)c1cc2n(n1)CCN(C(=O)[C@@H]1CC(=O)N(c3nnc(C)s3)C1)C2 1857739046 AUDSEIPSURQFTC-SNVBAGLBSA-N 390.425 0.225 0 50 GCAA O=C1C[C@@](O)(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)c2cc(Cl)ccc2N1 1875323870 VWGDPSPXTJDLQF-SGTLLEGYSA-N 377.828 0.997 0 50 GCAA CCOCC(=O)N1CC[C@H](N(C)c2cc(C3CC3)nc(S(C)(=O)=O)n2)C1 1875330130 MSMVSVVFYKPPHH-ZDUSSCGKSA-N 382.486 0.831 0 50 GCAA CNc1ncccc1C(=O)N[C@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[C@@H]1O 2100483359 OAPZQVHAMWCOMY-RCBQFDQVSA-N 376.457 0.366 0 50 GCAA C[S@](=O)(=NC(=O)C1=COCCO1)c1cnn2c1CN(c1ncns1)CC2 2325784767 IIPPAOSVRCELBK-AREMUKBSSA-N 396.454 0.626 0 50 GCAA CC(C)[C@H](NC(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325896726 FEFWLVWWTJBTNC-ZFWWWQNUSA-N 387.392 0.287 0 50 GCAA O=C(O)c1cc2n(n1)CCCN(S(=O)(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 67908086 IVHSQGXZHKLDKB-UHFFFAOYSA-N 377.382 0.346 0 50 GCAA Cc1nc2nc(CN3CC[C@H](N4CCOCC4)[C@H](CCCO)C3)cc(O)n2n1 91966308 GPLLZOKLXLXNQF-WBVHZDCISA-N 390.488 0.434 0 50 GCAA CS(=O)(=O)N1CCCN(C(=O)c2cnc(N)nc2-c2ccccc2)CC1 97634932 FUPLQIOJLWDJKZ-UHFFFAOYSA-N 375.454 0.833 0 50 GCAA Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)no1 239173733 OOCSVFGDGWZRIX-NRULLWLTSA-N 385.376 0.518 0 50 GCAA O=C1NC[C@H](O)Cn2nc(C(=O)N(CCCO)Cc3ccc(Cl)cc3)cc21 244594189 DHWWHIIHXOOCOU-AWEZNQCLSA-N 392.843 0.666 0 50 GCAA O=C(O)COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1F 273724979 MTWQNDUGATWBCV-CYBMUJFWSA-N 386.401 0.721 0 50 GCAA CCCN1CCc2c(C(=O)N3CCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 299764569 AVUGYIWLWRYHPS-HNNXBMFYSA-N 391.468 0.903 0 50 GCAA Cc1c(CN2CCC3(CC2)CN(C(=O)[C@@H]2CCN(C)C2)CCO3)cnn1C 823754927 BRJNJWXBUOIBLX-QGZVFWFLSA-N 375.517 0.874 0 50 GCAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(Cn3cnnn3)cc1)C2 1073389320 IMPTWGWTKXXTGQ-WBVHZDCISA-N 383.456 0.939 0 50 GCAA COc1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)ccc1OCC(N)=O 1529133728 AUXWNQMDYYRUAF-GDBMZVCRSA-N 375.425 0.891 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(O)c2cccc(F)c2n1 1704302585 QAYKYVUWELHVMM-IINYFYTJSA-N 397.428 0.716 0 50 GCAA O=C(CC1=CCCC1)N[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(O)n1 1772804002 CESWUXSYBZMHJG-UONOGXRCSA-N 379.438 0.299 0 50 GCAA CCCCNC(=O)N1C[C@@H]2CN(C(=O)CCc3cnccn3)C[C@]2(CO)C1 1772817565 DRLPLMSPJWAGFD-HNAYVOBHSA-N 375.473 0.672 0 50 GCAA Cc1nc2c(c(N3CCO[C@](C)(CNC(=O)[C@@H]4CCC(=O)N4)C3)n1)CCCC2 1775990367 ALINUBKKXRCPRM-OXJNMPFZSA-N 387.484 0.654 0 50 GCAA CCOc1ccc(CCNC(=O)[C@H]2CCS(=O)(=O)C23CN(C(C)=O)C3)cc1 1857528876 MIBYRQFNRXXXMB-QGZVFWFLSA-N 394.493 0.780 0 50 GCAA CN=c1ccnc(N2CCC3(CC2)CC(=O)N(Cc2noc(C)n2)CCO3)[nH]1 1857699260 JZTWUNZDEQYXSE-UHFFFAOYSA-N 387.444 0.420 0 50 GCAA CC(C)Oc1ccc(CNC(=O)N2CC3(C2)[C@H](C(N)=O)CCS3(=O)=O)cc1 1875393761 RXJZQPDOMMCZDC-HNNXBMFYSA-N 395.481 0.658 0 50 GCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[C@H]1c1ccncc1Cl)C2 1875395388 CFPPNIZACPGDKM-XQQFMLRXSA-N 397.884 0.600 0 50 GCAA CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)on1 20540105 DDVMKLDVQWFIAA-OAHLLOKOSA-N 378.473 0.814 0 50 GCAA CCCO[C@@H]1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 20999771 KNEWPZAJGUZYMT-MRXNPFEDSA-N 380.493 0.703 0 50 GCAA O=C(C[C@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O)Nc1ccccc1 72477164 UOKFUKWFWATMAC-HNNXBMFYSA-N 386.408 0.183 0 50 GCAA COc1ccc(N2CCN(C(=O)c3c[nH]nc3-n3cnnn3)[C@H](C)C2=O)cc1 77556228 ZUMBPLYDCVKVCE-LLVKDONJSA-N 382.384 0.272 0 50 GCAA CN(C)CCN(C)C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H]1CO 92098331 VDKFCTHQAJPTBV-IAGOWNOFSA-N 386.500 0.441 0 50 GCAA COCCN1CCC[C@]2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O 95382524 UTKQOCIAZLYTRZ-OAHLLOKOSA-N 385.515 0.700 0 50 GCAA Cc1nc(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)n[nH]1 95518128 YSNNAPFOCHMWBR-INIZCTEOSA-N 388.516 0.981 0 50 GCAA COCCN1CC[C@]2(CCC1=O)CN(CC(=O)N1CCCCC1)CCN2C 108010680 WXPMCQIDTHMOQZ-HXUWFJFHSA-N 380.533 0.644 0 50 GCAA O=C(c1cccc2c1OCCO2)N1CCN(CCN2CCCOCC2)CC1 170599043 XHQDGQALIOUREH-UHFFFAOYSA-N 375.469 0.938 0 50 GCAA CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 225694482 QWWCLSHJQWSNQJ-NDBYEHHHSA-N 380.401 0.096 0 50 GCAA C[C@H](C(=O)Nc1ccccn1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 243915000 BLJYYDXGLDMQGM-OAHLLOKOSA-N 381.502 0.757 0 50 GCAA O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc2nc(O)c(O)nc2c1 264434772 LPMMBHQUDAAALE-UHFFFAOYSA-N 398.466 0.149 0 50 GCAA Cc1nnc(CCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)s1 426513638 LGVMEHZHMHAIJA-UHFFFAOYSA-N 380.451 0.740 0 50 GCAA CSCc1nc(CNC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cs1 584886094 SYJWXODMNQIWKN-NSHDSACASA-N 379.529 0.697 0 50 GCAA O=C1NCCO[C@H]2CCCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)[C@@H]12 867873990 CMUHNGPEEJNHMC-JKSUJKDBSA-N 376.438 0.540 0 50 GCAA CCC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073299931 XRHFSTQNUAGHGN-CABCVRRESA-N 390.469 0.087 0 50 GCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccccc2Cn2cccn2)C[C@@H]1O 1529186999 NSHYARUFCSUJHJ-ROUUACIJSA-N 378.498 0.616 0 50 GCAA Cc1ccc2c(=O)cc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)oc2c1 1704342352 NPNXQHLDCGTRHC-JSGCOSHPSA-N 394.449 0.738 0 50 GCAA O=C(Cc1cccnc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccco3)C[C@@H]12 1857689739 XCXRHRCLCKNBQY-LZWOXQAQSA-N 389.433 0.271 0 50 GCAA CCC(=O)N1CSC[C@H]1C(=O)N1CC(O)(CNC(=O)CSC(C)C)C1 1875346204 WQMSIYWRMGDIEZ-LBPRGKRZSA-N 389.543 0.129 0 50 GCAA COc1nc(C(=O)N2CCCCN3CCCC[C@@H]3CC(=O)NCCC2)nn1C 2100532829 CCPYZLJLNNISAA-OAHLLOKOSA-N 392.504 0.811 0 50 GCAA COc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1Br 2325790802 MGYVSXPMEVKGHV-ONGXEEELSA-N 382.214 0.886 0 50 GCAA Cn1cnc2cc(C(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)ccc2c1=O 2356157704 RLBWAKCSOKXWSI-LPHOPBHVSA-N 387.436 0.441 0 50 GCAA CN(C)c1cnn(CC(=O)N[C@@H](CCn2cncn2)c2ccccc2)c(=O)c1 19338922 WVXVEFJJUDPDKC-KRWDZBQOSA-N 381.440 0.849 0 50 GCAA COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(OC)nc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65394966 XHGLVEKTQUFEBU-DEXNDLTESA-N 375.425 0.923 0 50 GCAA Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)n[nH]1 72164767 XTZCPCUXXOVANS-CQSZACIVSA-N 378.383 0.398 0 50 GCAA CC(C)=CCN1CCN(Cc2cn(CCO)nc2C)[C@H]2CS(=O)(=O)C[C@H]21 72432782 ZTLBJIZCZPHKRG-MSOLQXFVSA-N 382.530 0.433 0 50 GCAA O=C(NCc1cc(-c2ccccn2)no1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 96135809 JBKGXAUOEAVUTN-CABCVRRESA-N 399.451 0.437 0 50 GCAA O=C(Cn1ncc(N2CCCC2)cc1=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 102674694 YTYITYCIEIVFAE-BQFCYCMXSA-N 399.495 0.703 0 50 GCAA C[C@@H](C(=O)NCc1ccnc(-n2ccnc2)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266688740 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0.447 0 50 GCAA Cn1ncc2c(N3CCC4(CC3)NC(N)=NC4=O)nc(-c3cccnc3)nc21 72150849 RQWLZLPPCPBFFA-UHFFFAOYSA-N 377.412 0.209 0 50 GCAA O=C1CC[C@]2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CN1Cc1ccccn1 91475358 XNUJERIKFUHBTN-FQEVSTJZSA-N 383.452 0.863 0 50 GCAA Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)no1 239309333 HJSXNSMPCSNNTI-BTHOMQSPSA-N 399.403 0.908 0 50 GCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1nnc(N)s1 240163539 JBTCRHIETDOPBR-CQSZACIVSA-N 388.497 0.478 0 50 GCAA COCCn1c(N)c(C(=O)CN2C[C@H](C)Oc3cc(C)ccc32)c(O)nc1=O 241738505 QYCPNQKRWFLIKO-LBPRGKRZSA-N 388.424 0.956 0 50 GCAA CS(=O)(=O)CCN1CCN(c2cc([C@H]3C[C@H](N)C3)nc(C3CC3)n2)CC1 252533093 FVFGSYDKMDFZEC-SHTZXODSSA-N 379.530 0.725 0 50 GCAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273325763 HXXUCDIPBSLYJD-UHFFFAOYSA-N 389.359 0.970 0 50 GCAA C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)N(C)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 332963024 IHCPLZAXDXQVAI-MCZKYTFGSA-N 396.484 0.053 0 50 GCAA 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Cn1cnnc1SCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565530114 YQWPGONQIHALQB-OLZOCXBDSA-N 387.469 0.460 0 50 GCAA O=C(Cn1ncc2ccccc2c1=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1772705341 MMXOHLUTOYZDRS-INIZCTEOSA-N 384.436 0.494 0 50 GCAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)N[C@@H]3CCNC3)n2)cc1OC 1857706982 DYVNMGNTQPXECR-TZMCWYRMSA-N 388.472 0.384 0 50 GCAA Cc1nc(=N)[nH]cc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857739537 MSZFOGNSWIBMSE-ROUUACIJSA-N 399.499 0.999 0 50 GCAA NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1 1875267604 VLEFADVDLVQHHF-CABCVRRESA-N 394.497 0.779 0 50 GCAA CC(=O)NCC12CC(C(=O)N(C)CCn3cccn3)(C1)C1(CCNCC1)O2 1875393827 UTXPOSFDMNJQFA-UHFFFAOYSA-N 375.473 0.149 0 50 GCAA CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2(C)C)n1C[C@H]1CCCO1 11818475 BKWQKSUICGMPMB-OAHLLOKOSA-N 398.529 0.956 0 50 GCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)no2)[C@H]3C1=O 77455523 HNCQEVIMTJWEHI-RCJHGTSTSA-N 375.425 0.760 0 50 GCAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)CNC(N)=O)CC1 92028289 BHVBJZBKNDLNNQ-UHFFFAOYSA-N 377.493 0.565 0 50 GCAA Cc1noc(C)c1NC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 95531829 KNEHZNKTQSBJRQ-AWEZNQCLSA-N 376.417 0.802 0 50 GCAA CC(C)(C(=O)O)c1cnc(N2CCC(C(=O)O)CC2)nc1N1CCOCC1 96150020 IWWXOGRKAFSKLD-UHFFFAOYSA-N 378.429 0.976 0 50 GCAA Cn1cc(N2CCN(CCC(=O)N3CCN(c4ccccn4)CC3)CC2)cn1 174924934 UDCWCBCMJPFEMX-UHFFFAOYSA-N 383.500 0.676 0 50 GCAA CCC(=O)N1CCN(Cc2c(OC)cccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 213233239 MFYXNMCPTHAQPI-CABCVRRESA-N 382.482 0.924 0 50 GCAA Cn1ncc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)c1C1CC1 223078678 CMDWRLZIJCIAMT-INIZCTEOSA-N 379.486 0.588 0 50 GCAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCN(C(=O)c2ccccn2)CC1 264838802 ZCMAQRWJAVNOIB-ZDUSSCGKSA-N 399.373 0.712 0 50 GCAA O=C(O)COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1F 273724982 MTWQNDUGATWBCV-ZDUSSCGKSA-N 386.401 0.721 0 50 GCAA CCn1ccnc1CN(C(=O)CN1CSCC1=O)[C@@H]1CC12CCNCC2 435561950 ZZPXYLNYPYZCHQ-CQSZACIVSA-N 377.514 0.907 0 50 GCAA Cc1cccc2cc(C(=O)N3CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C3)oc12 1565531183 DIDOZTIGANNZJM-KBPBESRZSA-N 381.454 0.713 0 50 GCAA COCC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@]2(CO)C1 1772805300 JMVRSUKQCBZJDS-WBMJQRKESA-N 388.873 0.428 0 50 GCAA O=C([C@H]1CCOC1)N1CCCN(S(=O)(=O)c2cccc3nsnc23)CC1 1772806327 DDEQGUROCUXYCP-LBPRGKRZSA-N 396.494 0.951 0 50 GCAA O=C1COc2cc(C(=O)N3C[C@H]4CN(Cc5cnc[nH]5)C[C@@]4(CO)C3)ccc2N1 1772815221 LKLPAFUNHZLLKJ-VLIAUNLRSA-N 397.435 0.307 0 50 GCAA COC1(C(=O)N2CC[C@H](N(C)C)C2)CCN(C(=O)[C@@H](C)n2ccnc2)CC1 1857672321 RHVUTESAMRMTPL-CVEARBPZSA-N 377.489 0.614 0 50 GCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCn3cnnn3)CC(=O)N2[C@H]1c1ccccc1 1857724603 JWPGOIAZKRZQQO-MPGHIAIKSA-N 398.423 0.037 0 50 GCAA CC(=O)N[C@@H](C(=O)N1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 1875300694 NUVLRAQMTGHCCT-RTBURBONSA-N 375.469 0.814 0 50 GCAA C=CC(=O)N1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)[C@@H](C)C1 1875381020 HOFIEXIYAYTWRR-LBPRGKRZSA-N 379.848 0.826 0 50 GCAA Cn1cc(S(=O)(=O)N2CCOC[C@@]23CNCCOC3)c(-c2ccccc2)n1 1875396355 CRQDJNZIZPYGHI-SFHVURJKSA-N 392.481 0.467 0 50 GCAA COc1cn(CC(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)c(C)cc1=O 1875402672 JUJKOGFBWWGATK-NWANDNLSSA-N 394.859 0.971 0 50 GCAA CON1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(N(C)C)ccn2)CC1 2325872644 HUEQRNGPFPTBIQ-IRXDYDNUSA-N 387.484 0.846 0 50 GCAA COC(=O)CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 63834143 LTEMPYCHSUJWNK-AWEZNQCLSA-N 383.395 0.725 0 50 GCAA O=C(NCNC(=O)[C@@H](O)C(Cl)(Cl)Cl)[C@@H](O)C(Cl)(Cl)Cl 71766997 RFNJQWFKPUJYSP-PWNYCUMCSA-N 396.869 0.639 0 50 GCAA O=C(CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1)NCCc1ccccc1 77565999 NSYTUGPVNDRAFB-IEBWSBKVSA-N 382.464 0.606 0 50 GCAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccn3nnnc3c1)CC2 91914580 HFDVIYKHACKMJN-UHFFFAOYSA-N 380.412 0.384 0 50 GCAA C[C@H](Cn1cncn1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 95357262 MMHLNQQVPRAYBS-CYBMUJFWSA-N 379.442 0.118 0 50 GCAA Cn1nccc1CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1 95359689 ISPWDYYTRALYGE-AWEZNQCLSA-N 378.454 0.460 0 50 GCAA O=C(N[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1C1CC1)c1nnc2n1CCCC2 95363435 KSKKAPAEEOBVTD-HIFRSBDPSA-N 381.440 0.685 0 50 GCAA CC(=O)N[C@H](C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCC1 268514815 DULDVDKHAXIKFS-KDOFPFPSSA-N 378.425 0.966 0 50 GCAA Cc1c(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)nnn1-c1ccc2ncccc2c1 370622249 MCWLFBZIIUITID-DLBZAZTESA-N 392.419 0.853 0 50 GCAA CN(C)C1=NC2(CCN(Cc3ccc(Sc4nncn4C)o3)CC2)C(=O)N1 823652388 NRBBWIYDCXKAHL-UHFFFAOYSA-N 389.485 0.941 0 50 GCAA CC1=NNC(=O)[C@H]1CCNC(=O)[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cnn(C)c1C 888102315 LSPAKLSKMYOEFH-JJRVBVJISA-N 386.456 0.409 0 50 GCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)C2CCNCC2)cc1OC 1529119494 XGPBRRYHPLQLIQ-MSOLQXFVSA-N 377.441 0.470 0 50 GCAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704297543 BYYDBSGOMFOFSN-ZFWWWQNUSA-N 386.518 0.738 0 50 GCAA Cc1cc(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc(S(N)(=O)=O)c1C 1704301119 KZKAGHKTDYFHNX-VHDGCEQUSA-N 379.482 0.938 0 50 GCAA COc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)C4CC4)CS(=O)(=O)[C@H]3C2)cc1 1857683026 PQGMVBHXIJZCDW-XHSDSOJGSA-N 378.450 0.459 0 50 GCAA CC[C@@H](O)CNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 12713130 SCTKZIVHSKHGAD-OAHLLOKOSA-N 399.513 0.837 0 50 GCAA CSc1cccc(CN2CCN3C(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H]3C2)c1 14754015 CMICRDVCVOQCEH-DLBZAZTESA-N 385.493 0.886 0 50 GCAA CN1CCN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 19589733 PYFTYZKTXUWWPH-UHFFFAOYSA-N 390.303 0.989 0 50 GCAA O=S1(=O)CC[C@@H](N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 19792617 RJOWWXHGDLMCLO-MRXNPFEDSA-N 376.482 0.965 0 50 GCAA CC[C@]1(C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)NC(=O)NC1=O 67771101 HWHQVTUZDWYUIK-LJQANCHMSA-N 386.408 0.821 0 50 GCAA NC(=O)c1ccc(-c2nc3c(c(N4CCS(=O)(=O)CC4)n2)CCNC3)cc1 71776551 SUERBRODHDCLCJ-UHFFFAOYSA-N 387.465 0.123 0 50 GCAA CN(C)CCN1C[C@@]2(CCCN(C(=O)CCCn3cnnn3)C2)CCC1=O 72422700 KMXVAVRKLCVPPZ-SFHVURJKSA-N 377.493 0.246 0 50 GCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nnc(C)o2)[C@@H]3C1=O 77389501 ACTLTAVWIJASMQ-AZAGILFBSA-N 376.413 0.155 0 50 GCAA O=C(NCCN1CCCCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1 95363697 HSNWMQHVPVYZQA-KRWDZBQOSA-N 394.541 0.933 0 50 GCAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCc3cnc[nH]3)C2=O)cc1 206249212 UDCXFIPWJOFKAV-MRXNPFEDSA-N 385.424 0.978 0 50 GCAA O=C(NCC1(N2CCOCC2)CCCCC1)c1cn(C2CCNCC2)nn1 238003646 KTKYREVJBLJOAT-UHFFFAOYSA-N 376.505 0.968 0 50 GCAA CCOc1ccc(-n2ncc(C(=O)N3CCO[C@@H](CC(=O)O)C3)c2C)nn1 299747835 FHNRKBYHBNFOBT-LBPRGKRZSA-N 375.385 0.685 0 50 GCAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCC2(CC1)N=C(N(C)C)NC2=O 1506415818 AOYSVJATBSPMKQ-AWEZNQCLSA-N 378.404 0.842 0 50 GCAA CN(C)C(=O)CN1CC2(CCN(C(=O)CCc3cn[nH]c3)CC2)OCCC1=O 1704303522 KJFRZBIVQMXQDJ-UHFFFAOYSA-N 391.472 0.041 0 50 GCAA CN=c1ncc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c[nH]1 1857727086 KKMPTWMKDXYZLH-QINHECLXSA-N 379.420 0.855 0 50 GCAA CN1CCCN(C[C@@H]2OCCN(C(=O)C3(CO)CC3)[C@H]2c2cnn(C)c2)CC1 1875243231 XQNLKUMSMCMBOJ-ROUUACIJSA-N 391.516 0.099 0 50 GCAA CO[C@H]1C[C@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C12CCC2 1875266246 RLMSIGXZQHVTMP-KBPBESRZSA-N 399.488 0.406 0 50 GCAA CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)N(C)C 2325754820 HDUPTIGSGVHCAO-UHFFFAOYSA-N 377.488 0.488 0 50 GCAA C[C@H](CC(=O)N(C)CCNC(=O)C(C)(C)CN1CCOCC1)n1ccnc1 2325793656 BYZVAJDYIFABOS-MRXNPFEDSA-N 379.505 0.767 0 50 GCAA Cn1cccc1C(=O)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325895532 CPHRLUHKGBNPLN-HNNXBMFYSA-N 394.387 0.608 0 50 GCAA NCCCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325899075 MJKUZKBHIDIMAD-CQSZACIVSA-N 386.408 0.545 0 50 GCAA Cn1cccc1-c1nnc2ccc(C(=O)N3CC[C@H]4OCC(=O)N[C@H]4C3)cn12 2356151516 LQOCTGNVXGXDCO-DZGCQCFKSA-N 380.408 0.464 0 50 GCAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CO)C(=O)N2C1)c1ccc(-c2ccccc2)cc1 14751247 HCPANTZUBDKGQA-BZSNNMDCSA-N 379.416 0.544 0 50 GCAA Nc1nc(N2CCN(CC(=O)N3CCCC3)CC2)c2cc(C(=O)O)ccc2n1 65397902 SWOXKBAPVUOJOV-UHFFFAOYSA-N 384.440 0.655 0 50 GCAA CCN(C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1)[C@H]1COC[C@@H]1O 67588129 DGDCGFYHVIQLJP-GJZGRUSLSA-N 375.381 0.939 0 50 GCAA CCn1c([C@@H]2CCCN(S(=O)(=O)c3cccc4nonc34)C2)nn(C)c1=O 67695425 UVWOXCLRIANQOV-LLVKDONJSA-N 392.441 0.706 0 50 GCAA CCn1c(-c2ccccc2)nn(CC(=O)NCc2nnc3n2CCCC3)c1=O 77340885 JCIFGLNAJFCMGW-UHFFFAOYSA-N 381.440 0.976 0 50 GCAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)C3)[C@H]4C2=O)cc1C 77406238 CVAZQXNBQPTTQQ-ZBPHCFQXSA-N 395.459 0.544 0 50 GCAA CN(CCC(=O)N1CCN(c2ccccc2)C(=O)C1)[C@H]1CCS(=O)(=O)C1 82156691 LBYJWBTWNFEPMB-INIZCTEOSA-N 379.482 0.371 0 50 GCAA O=C(NCc1noc(C2CCC2)n1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 91966457 KXKZJCJXDCCTGI-KGLIPLIRSA-N 377.445 0.038 0 50 GCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1cc(C)cn1)CC2 95518853 CPQLGFZKJDEMBG-UHFFFAOYSA-N 386.456 0.464 0 50 GCAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2ccc(N)nc2)CC1 96139055 INNDFFBLVWPQCZ-UHFFFAOYSA-N 381.444 0.935 0 50 GCAA NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100971679 MLGQBKYRTAGSPE-GREKMHCPSA-N 389.433 0.470 0 50 GCAA 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 114233870 XPFFFXIOYCKIEP-JULHQIJXSA-N 396.392 0.233 0 50 GCAA biogenic CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1nc(-c2cccnc2)no1 120248306 SRRZJYNIUWWJFM-UHFFFAOYSA-N 396.411 0.011 0 50 GCAA CN(C)C(=O)c1cc(S(=O)(=O)Nc2cncc(N3CCCC3)n2)cn1C 170617411 HJHKDBSHSLCMJM-UHFFFAOYSA-N 378.458 0.918 0 50 GCAA Cn1c(CN2CCN(c3ncccc3C(N)=O)CC2)nc2ccccc2c1=O 171036041 DQSKTPCAJBQLTG-UHFFFAOYSA-N 378.436 0.750 0 50 GCAA C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1N1CCOCC1 363609654 XTXHDLBLAODLSR-YOEHRIQHSA-N 381.498 0.952 0 50 GCAA CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c1 432673647 XZYKAHREYPGSIF-LLVKDONJSA-N 375.472 0.493 0 50 GCAA COC(=O)c1cnc(N2C[C@H]3COC[C@@H]2CN(CCCn2cccn2)C3)cn1 1772700878 IGESGZOFOFCMIO-HOTGVXAUSA-N 386.456 0.687 0 50 GCAA CO[C@H]1C[C@@H](C(=O)NCCCn2ccnc2)CC[C@@H]1NS(=O)(=O)CC1CC1 1857694600 FMRFEFCYLGNTKJ-ULQDDVLXSA-N 398.529 0.903 0 50 GCAA Cc1cn(CC(=O)N2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)c(=O)nc1O 1857722227 RZZHBHMRVIDPII-UZLBHIALSA-N 387.436 0.072 0 50 GCAA CCn1cc(C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325778659 IYJACIMLXHQYRD-BDQBCWGISA-N 399.470 0.518 0 50 GCAA O=C(O)CN(CC1CC1)C(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325897037 MSZQGVHLEZTOJH-HNNXBMFYSA-N 399.403 0.384 0 50 GCAA CN1CCC(O)(CNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)CC1 2356143861 AWZLTPGMMPAJJA-JLDZCNIISA-N 398.507 0.891 0 50 GCAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCN(Cc3ccccn3)C[C@H]12 14542357 HGECGOADFPJLDB-RBUKOAKNSA-N 380.448 0.810 0 50 GCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CN2C1=O 14741721 QPBDXHIQHCMGKS-GIMBAOAISA-N 386.235 0.572 0 50 GCAA Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c1 20454724 UWLXWFPXLNVBDT-KRWDZBQOSA-N 396.495 0.848 0 50 GCAA CNC(=O)CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(OC)c4)C(=O)[C@H]13)O2 77420661 GZQJLUMMJAQIFG-DKXUYOFUSA-N 399.447 0.182 0 50 GCAA O=C(C[C@@H]1CNCCO1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91504289 TWRKWBIHEKHUDP-QGZVFWFLSA-N 389.500 0.562 0 50 GCAA O=C(CN1CCN(c2ncccn2)CC1)NCC[C@@H]1COc2ccccc2O1 95378017 SXEITILPGPMRBS-MRXNPFEDSA-N 383.452 0.945 0 50 GCAA O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 330349032 JLWBHMAAMHRRGK-AWEZNQCLSA-N 383.408 0.554 0 50 GCAA O=C([C@H]1COCCN1C1CCCC1)N1CCC(N2CCS(=O)(=O)CC2)CC1 365150296 JIAQDRKLTZJYSU-GOSISDBHSA-N 399.557 0.351 0 50 GCAA Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1 426420765 PSHSGODHRXHGRL-JTQLQIEISA-N 395.407 0.666 0 50 GCAA O=C(c1cccc(S(=O)(=O)N2C[C@H]3CCCN[C@H]3C2)c1)N1CCOCC1 1565525844 JQLABMSDTKRWSY-WBVHZDCISA-N 379.482 0.532 0 50 GCAA Cc1ncc2c(n1)[C@]1(CCCN(c3nc4c(c(O)nc(=O)n4C)n3C)C1)CC2 1704336872 JYQSBBSAGVJGCQ-LJQANCHMSA-N 381.440 0.955 0 50 GCAA COCC(=O)N1C[C@H]2CN(C(=O)Cc3ccccc3OC)C[C@@]2(CN(C)C)C1 1772700481 BSBSTYPFXGTDDJ-UTKZUKDTSA-N 389.496 0.733 0 50 GCAA Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)c4ccco4)C[C@@H]23)no1 1857687982 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Cc1noc(CN2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 72418408 SGRLVIXDIDJKCO-CQSZACIVSA-N 375.477 0.843 0 50 GCAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2n[nH]c(N)n2)CC1 95498931 OFYLYQDRQIIWSH-UHFFFAOYSA-N 388.428 0.333 0 50 GCAA COCCN1CCN(C(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)CC1 95510712 DBEHFSZJLMSASM-UHFFFAOYSA-N 385.490 0.701 0 50 GCAA CC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCN1 134434652 BHCGBWOZCDOHHI-SFHVURJKSA-N 391.497 0.928 0 50 GCAA C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H](C)Cn3cncn3)CC2)C1 222178942 HUGIHLXOCMWHJC-BRWVUGGUSA-N 391.520 0.498 0 50 GCAA CCS(=O)(=O)NCCN1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 328640902 QIEZZKVWKDJOHE-HNNXBMFYSA-N 385.534 0.361 0 50 GCAA COCc1noc(CN2CCN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)n1 1565505845 WYKAVKRISVGRRM-JKSUJKDBSA-N 392.481 0.699 0 50 GCAA O=C(NCc1n[nH]c2c1CCC2)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857707629 WSXJOIDRADWKLH-VWKPWSFCSA-N 387.528 0.995 0 50 GCAA CNS(=O)(=O)c1ccc(CN2CCn3nc(Br)nc3C2)cc1 1875281825 ZJBBODUDZNUSRY-UHFFFAOYSA-N 386.275 0.965 0 50 GCAA CCn1c(SCC(=O)N2CCNS(=O)(=O)CC2)nnc1-c1ccccc1 1875299369 IUDSCYIVWLMIMR-UHFFFAOYSA-N 395.510 0.819 0 50 GCAA NC(=O)C12CC(CNC(=O)c3ccc4nccnc4c3)(C1)OC21CCNCC1 1875393409 MWRLPCAOYUOQTL-UHFFFAOYSA-N 381.436 0.516 0 50 GCAA COC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 4763481 GIJANGFGGZUVMG-KBPBESRZSA-N 384.454 0.685 0 50 GCAA CCOC(=O)c1[nH]c(=O)[nH]c1CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1 4917844 ULYAXBBUXZOZKJ-UHFFFAOYSA-N 388.405 0.909 0 50 GCAA O=C(CCn1nnnc1CN1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C1 11955370 NTXOHKXJYUHHBO-GOSISDBHSA-N 399.499 0.286 0 50 GCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccon2)cc1OC 72161564 VNFFOMAIZOEOHT-HNNXBMFYSA-N 388.424 0.699 0 50 GCAA COCCN(C)Cc1cc2n(n1)CCN(C(=O)[C@@H]1CCCCN1C(=O)OC)C2 72410644 QKTGNKZJUZBBDV-KRWDZBQOSA-N 393.488 0.924 0 50 GCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCC(N)=O)[C@@H]4C2=O)c1 77505197 YZOVDXGNJYZRRN-JWVYWZTKSA-N 399.447 0.311 0 50 GCAA Cc1nc(C2CCN(C(=O)[C@H]3CNC[C@@H](C(=O)N4CCOCC4)C3)CC2)no1 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C[C@]1(NC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CCCNC1 2325896372 XDEOTPLDMYRXNZ-QRWLVFNGSA-N 384.436 0.320 0 50 GCAA O=C(Cc1c[nH]nc1O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166682 IXSOYXYLUNMJKR-DOXZYTNZSA-N 376.457 0.945 0 50 GCAA CN1CC(=O)N(c2cccc(NC(=O)CCc3cc4n(n3)CCNC4)c2)C1=O 72474907 WALZVQWSQDZOKC-UHFFFAOYSA-N 382.424 0.956 0 50 GCAA O=C1CN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)CCN1 77428432 QRNLLXOUJIZRHD-VERUCKTNSA-N 385.395 0.066 0 50 GCAA O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 91626280 ILTZHDNGKDXSBS-LBPRGKRZSA-N 377.832 0.849 0 50 GCAA CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 92046460 WLWLFXBLBVSYPY-INIZCTEOSA-N 375.473 0.662 0 50 GCAA CC(C)(C)CC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)Cc2cc(=O)[nH]nc2O)C1 95387503 LZXLIIDEXLVMMZ-KGLIPLIRSA-N 376.457 0.807 0 50 GCAA CN(CCc1ncon1)C(=O)c1cccc(S(=O)(=O)N2CC[C@H](N)C2)c1 216423152 MLOUXZMURXJDBB-ZDUSSCGKSA-N 379.442 0.106 0 50 GCAA COc1ccc([C@@H](CC(=O)O)NC(=O)Cn2ccc(O)nc2=O)cc1OC 262458868 QKOVTDJAGASWQF-LLVKDONJSA-N 377.353 0.298 0 50 GCAA COc1ccccc1N1CC[C@H](CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 272624997 WUZVOCCRAIDJHE-CQSZACIVSA-N 386.456 0.974 0 50 GCAA CCCc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)no1 328609672 FMWHIILXDZGIFN-LBPRGKRZSA-N 396.473 0.713 0 50 GCAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc(S(N)(=O)=O)c1C 1704300737 YTHHDVAIIAVHBL-GDBMZVCRSA-N 390.465 0.416 0 50 GCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857726826 DTLWORWDFVFBBH-AEFFLSMTSA-N 388.449 0.903 0 50 GCAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCN1 2325890767 QRCVKTAXJSPVKF-GDBMZVCRSA-N 384.436 0.272 0 50 GCAA COc1cccc([C@H](O)CNC(=O)CSc2nc3nc(C)cc(O)n3n2)n1 2356140163 WYDJIJMNNCQCOS-LLVKDONJSA-N 390.425 0.484 0 50 GCAA O=C1C[C@@H](C(=O)NCc2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961125 VWZMTQLGUOTSAC-CYBMUJFWSA-N 383.408 0.349 0 50 GCAA Cn1c(CCNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n[nH]c1=O 67834426 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395.525 0.475 0 50 GCAA Cc1cc(C(N)=O)c(N2CCCN(S(=O)(=O)N3CCCC3)CC2)nc1C 1704345224 TULQAAOJFVPLSN-UHFFFAOYSA-N 381.502 0.650 0 50 GCAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1cc2ncccn2n1 1857666757 SALCOZLATBXHLZ-STQMWFEESA-N 399.432 0.683 0 50 GCAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)CC2)c1 1857697777 MEZXKXIRBBIMEY-OALUTQOASA-N 386.496 0.575 0 50 GCAA CN1CC[C@]2(C(=O)NCCN3CCCC3)CCCN(Cc3nccn3C)[C@H]2C1 1857701362 PMJTUVGLDXTQKU-GHTZIAJQSA-N 388.560 0.918 0 50 GCAA CC(=O)N1CCN(c2ccc(NC(=O)c3cn4c(n3)CCNCC4)cc2)CC1 1857719435 MZTARUKWYZGXFQ-UHFFFAOYSA-N 382.468 0.950 0 50 GCAA Cc1cnc(C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cn1 1857798282 ZRTKOGYLOJUELS-OAHLLOKOSA-N 379.376 0.798 0 50 GCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2cn3ccccc3n2)ncn1 1875400851 OJCYDACWCSINNU-HZPDHXFCSA-N 395.467 0.489 0 50 GCAA C=CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2O)CC1 2325884683 VVRHHPKGMXZRCG-UHFFFAOYSA-N 381.454 0.178 0 50 GCAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@H]4C(=O)O)ccc3C2=O)C(=O)N1 2325895607 FFKAOEVCCOZNJE-UONOGXRCSA-N 385.376 0.137 0 50 GCAA O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NC[C@@H]1CCCO1 4413077 HJMNXHNUKDXZBJ-HNNXBMFYSA-N 399.447 0.978 0 50 GCAA CS(=O)(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 6730275 PGYJXHALGYHTNM-UHFFFAOYSA-N 384.273 0.874 0 50 GCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)CO)cc1 12718883 JTBYVCUVPYFPLV-KRWDZBQOSA-N 377.485 0.911 0 50 GCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3sccc3Cl)CN2C1=O 14745327 PXJAOPVSQHTUJV-DLOVCJGASA-N 384.889 0.728 0 50 GCAA COCCNC(=O)c1cccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 95369133 OTVLLILJSWRZMC-MRXNPFEDSA-N 381.498 0.922 0 50 GCAA O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ncon3)ccc2[nH]1 170594503 ZQRIFUBVGWMORF-CYBMUJFWSA-N 391.409 0.905 0 50 GCAA Cc1cc(C)n(CCC(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)n1 212548590 HYXGILFOPDZIPA-CVEARBPZSA-N 383.518 0.619 0 50 GCAA Cc1nnc([C@H]2COCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)o1 333018117 CRMAORZRGDHZHG-CQSZACIVSA-N 393.425 0.331 0 50 GCAA O=C(COc1ccccc1)NCC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 363243669 ZVYKDRFZVMUMRN-INIZCTEOSA-N 375.469 0.799 0 50 GCAA C[C@]1(NC(=O)c2cnc(-c3ccccn3)nc2)CC2(CCNCC2)OC[C@@H]1O 1704343201 VAEXOIQIOGPIHZ-LPHOPBHVSA-N 383.452 0.931 0 50 GCAA Cc1nc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(Cc4nccn4C)C[C@@H]23)cs1 1857681925 DTODJENXYQDADK-YUTCNCBUSA-N 395.510 0.212 0 50 GCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCc2cnn[nH]2)CC[C@H]1O)c1c[nH]c2ccccc12 1857685958 BQCCLZMKQYUFMN-JBBXEZCESA-N 396.451 0.904 0 50 GCAA Cc1cnc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cn1 1857798281 ZRTKOGYLOJUELS-HNNXBMFYSA-N 379.376 0.798 0 50 GCAA CCOc1ccc(CNC(=O)N2CC3(C2)[C@H](C(N)=O)CCS3(=O)=O)cc1C 1875392954 ATAVJJWCDKGJNA-AWEZNQCLSA-N 395.481 0.578 0 50 GCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cnc(O)nc3O)C1)CC2 2356154667 FHBAEQIYQBSWIK-IBGZPJMESA-N 384.440 0.793 0 50 GCAA Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCNC(=O)C3)C[C@H]2O)n1C(F)F 2356157035 BFMSTBSHHOMEDU-DMDPSCGWSA-N 384.383 0.019 0 50 GCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O 3871880 FPPNZSSZRUTDAP-NJBDSQKTSA-N 378.406 0.487 0 50 GCAA biogenic,world CN1CCCn2nc(C(=O)NCCn3nc(O)c4ccccc4c3=O)cc2C1 65505900 NYUDLZZIUXTDHM-UHFFFAOYSA-N 382.424 0.564 0 50 GCAA CC1=C(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H](C)NC(=O)N1 67725619 PJENFELTSBJXQK-GFCCVEGCSA-N 392.481 0.931 0 50 GCAA CN1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)CC1 72139196 ZCQIPFRUCXIULS-UHFFFAOYSA-N 387.889 0.749 0 50 GCAA O=C(C[C@H]1COCCN1C(=O)CCS(=O)(=O)c1ccccc1)NCCF 72424841 CKBPSJCWQLNXHY-AWEZNQCLSA-N 386.445 0.554 0 50 GCAA O=C(c1cnc(-c2ccccn2)nc1)N1CC[C@]2(CCCN(CCO)C2=O)C1 91586812 WYQGZQSKUYKEFJ-HXUWFJFHSA-N 381.436 0.986 0 50 GCAA O=C(c1c[nH]c(=O)cn1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95503299 WEVRFYCCBHTKTK-UHFFFAOYSA-N 382.424 0.419 0 50 GCAA O=C(O)c1cc(S(=O)(=O)O)c2cc(C(=O)O)cc(S(=O)(=O)O)c2c1 116638181 ZQWYRGRHXNAOLE-UHFFFAOYSA-N 376.320 0.730 0 50 GCAA NC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 216429916 AWOMPLVKFMVLLD-AWEZNQCLSA-N 377.470 0.842 0 50 GCAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O 239274924 AYFDAONHPGGBAC-FQUUOJAGSA-N 398.504 0.907 0 50 GCAA CN1C(=O)N(C)C(=O)C([C@H]2CC[C@H]3OC[C@H]2O3)([C@H]2CC[C@H]3OC[C@H]2O3)C1=O 248021061 HVJJWUFDYHBIHK-GHEKHTLGSA-N 380.397 0.326 0 50 GCAA CCn1[nH]cc/c1=N\C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 253392263 IIHTZWPIUZQWCZ-XDJHFCHBSA-N 382.417 0.737 0 50 GCAA C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N(C)Cc1c(F)cccc1Cl 253400481 KYZFAOJADTTYDT-VIFPVBQESA-N 377.825 0.845 0 50 GCAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)n(C)n1 328615727 YYBDFVWJEXTMBW-HZSPNIEDSA-N 385.490 0.168 0 50 GCAA Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccn(CCN2CCOCC2)n1 330235450 GXSONDSWHIIZQB-QGZVFWFLSA-N 387.488 1.417 0 50 GCAA Cc1ccn2cc(CNC(=O)[C@H]3[C@@H]4CC[C@@]5(CN(CCN)C(=O)[C@@H]35)O4)nc2c1 670469554 QHHAHFDRBJBJBF-REGYPHIPSA-N 383.452 0.224 0 50 GCAA Cc1cc(F)cc(S(=O)(=O)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 758039320 BHUODWKENZFCIP-UHFFFAOYSA-N 383.401 0.804 0 50 GCAA C[C@H](C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cc1nccs1)N1C(=O)CCC1=O 1875345912 MKHNKKLBFHRIAD-YPMHNXCESA-N 392.481 0.576 0 50 GCAA CCc1c(C(=O)N2CC3(C2)[C@H](C(N)=O)CCS3(=O)=O)cnn1CC(C)C 1875396217 ZCBLVZVKGZOANL-ZDUSSCGKSA-N 382.486 0.216 0 50 GCAA O=C(N[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCO3)C[C@H]1O)c1cc[nH]n1 2100543191 OPJIDDSYHIDJKI-ZMSDIMECSA-N 384.436 0.920 0 50 GCAA COC(=O)[C@H]1COCCN(C(=O)c2ccc3nnc(-c4cccn4C)n3c2)C1 2356138219 ILKOFSIXBBNAKX-CQSZACIVSA-N 383.408 0.996 0 50 GCAA COc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@H](O)[C@@H](O)[C@H](C)[C@@H]3C(=O)NC2CC2)cn1 2356143771 WHZUDSWXUCFYAA-BYVVRQGXSA-N 389.452 0.045 0 50 GCAA