smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccoc2)CC3)C1 12028884 VBGYKLODTHENPY-MRXNPFEDSA-N 372.473 0.887 0 50 FCAA CN(C[C@@H]1COCCO1)c1nc2nonc2nc1N1CCSCC1 12762121 LDKUINNFUCJLKE-SNVBAGLBSA-N 352.420 0.418 0 50 FCAA Cn1ncc(N2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)cc1=O 20537347 UCFFBRDEDORDCO-CQSZACIVSA-N 360.414 0.305 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(C)n2nc(C)cc2n1 67840375 JYZMGZQISGOTSP-HIFRSBDPSA-N 358.446 0.756 0 50 FCAA O=S(=O)(c1cccc2nonc12)N1CC[C@H]2NCCC[C@]2(CO)C1 72162247 WILMJFGZTFSFPF-UKRRQHHQSA-N 352.416 0.348 0 50 FCAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CNS(=O)(=O)c1cccs1)C2 75977025 HAECVRPWQBAKSM-MNOVXSKESA-N 357.457 0.106 0 50 FCAA O=C(COc1cccc(-n2cnnn2)c1)NCc1cc2n(n1)CCCNC2 82096858 CGXGDDSXFUVVND-UHFFFAOYSA-N 368.401 0.047 0 50 FCAA O=C(CCc1cc2n(n1)CCCN(CCCCO)C2)N1CCC(O)CC1 82099368 YLFCXJAVVVEISJ-UHFFFAOYSA-N 364.490 0.777 0 50 FCAA Cc1ccc(N2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2=O)cc1 82137067 ZSEHVAYHMWVRET-AWEZNQCLSA-N 369.425 0.328 0 50 FCAA COCCN1C[C@H](C2CC2)[C@@H](NC(=O)CC2CCS(=O)(=O)CC2)C1 91746322 DUVXYRLWAQERGB-CVEARBPZSA-N 358.504 0.674 0 50 FCAA OC[C@H]1CN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1CN1CCOCC1 91746827 VTSFLAGTNFERFH-QZTJIDSGSA-N 369.469 0.911 0 50 FCAA Cc1cn(CC(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)c(=O)[nH]c1=O 91893111 MCXDSROGHNZDJA-CQSZACIVSA-N 371.393 0.634 0 50 FCAA COCCCN1C(=O)N(Cc2nncn2C(C)C)C(=O)C12CCNCC2 95362691 MFICZSBCZNQAPF-UHFFFAOYSA-N 364.450 0.782 0 50 FCAA CN(C[C@H]1CCOC1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95373739 ZVFWAWFINJZKBR-CQSZACIVSA-N 368.455 0.816 0 50 FCAA Cc1nn(CC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c(C)c1C 95378670 JIYDYXCCVNQQSD-CQSZACIVSA-N 362.430 0.732 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 95502661 OMROLAREXGYZBH-HNNXBMFYSA-N 355.446 0.728 0 50 FCAA Cc1ccn2c(C(=O)N3CCN(CCS(C)(=O)=O)CC3)c(C)nc2c1 97797468 AZGICURRSFTHHF-UHFFFAOYSA-N 364.471 0.754 0 50 FCAA CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)CC1 123549189 QWAAZYHUAUXPHI-IEBWSBKVSA-N 374.485 0.935 0 50 FCAA O=C(NCCN1CCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12 169777224 RAMAXZSOORYOLL-UHFFFAOYSA-N 352.398 0.910 0 50 FCAA COCC(=O)N[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)C(C)C 172831187 SFHAEAZOUXXLOL-SFHVURJKSA-N 362.474 0.949 0 50 FCAA O=C(c1ccc(CO)o1)N1CC[C@H]2[C@H](CCC(=O)N2CCCCO)C1 215144221 DAZVFWGYTFXALZ-HIFRSBDPSA-N 350.415 0.998 0 50 FCAA Cn1cnc2cc(C(=O)NCCS(=O)(=O)N3CCCC3)ccc2c1=O 215206337 XHWJBKGASKJVRX-UHFFFAOYSA-N 364.427 0.089 0 50 FCAA CC[C@H](C)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1 239377484 NZLBBWKRFWAHOK-REIVEBPRSA-N 353.415 0.523 0 50 FCAA COc1ccc(CN2C[C@H](C(=O)N3CCO[C@@H](C(=O)O)C3)CC2=O)cc1 262963127 KLADPOAQVIUTMS-UKRRQHHQSA-N 362.382 0.356 0 50 FCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc4nonc34)C[C@H]2CO)cn1 275323907 PLKLEWWMHHZPCA-RYUDHWBXSA-N 363.399 0.353 0 50 FCAA Nc1nc2c(c(C(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)n1)CCCC2 299765764 AEXPIHJMSNNUSK-UHFFFAOYSA-N 354.414 0.864 0 50 FCAA Cc1ccc(-c2noc(CCNC(=O)[C@@H]3CCC(=O)NC(=O)N3)n2)cc1 299772063 YPTSLTFLHYOCLX-LBPRGKRZSA-N 357.370 0.692 0 50 FCAA Cc1nc(N)ncc1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299785504 SORGXILPUVEDSV-UHFFFAOYSA-N 369.429 0.636 0 50 FCAA CC1(C)SC[C@H](C(=O)NCCn2ncc3ccccc3c2=O)NC1=O 299797121 POYCBGHAPCXAQO-CYBMUJFWSA-N 360.439 0.523 0 50 FCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)n1 328613780 UDEGEDOGMZBNPW-ZDUSSCGKSA-N 373.822 0.545 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 332230846 YSGNVQRNTGXGJV-UHFFFAOYSA-N 364.431 0.054 0 50 FCAA Cc1nn(CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(=O)s1 333378371 FGTBZBICILRZEV-UHFFFAOYSA-N 352.441 0.659 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 413468580 HWCSVXWJQBGLAN-MRXNPFEDSA-N 367.427 0.355 0 50 FCAA COCCN(C)CC(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1 426518377 SXWXKGSFEGYLAS-UHFFFAOYSA-N 363.462 0.220 0 50 FCAA Cc1ccc(C(=O)N2CCN(c3cc(O)nc(N)n3)CC2)cc1OCCN 426547670 UBYXQTBMVZXAGR-UHFFFAOYSA-N 372.429 0.373 0 50 FCAA CCS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 442939979 DYUVNLOAFZCCEV-WISYIIOYSA-N 370.393 0.836 0 50 FCAA CC(C)C(=O)N1CCn2nc(CNC(=O)N3CCC[C@H](CO)C3)cc2C1 534585409 VTYPAEQKCVUOAT-AWEZNQCLSA-N 363.462 0.795 0 50 FCAA CN(C)Cc1ccc(CSCCNC(=O)N2CCO[C@@H](CN)C2)o1 670455260 RPRNMEMKALACNM-HNNXBMFYSA-N 356.492 0.944 0 50 FCAA CC(C)CN1CCN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1CCO 952964288 NLBLEMUVCSQQHP-MRXNPFEDSA-N 363.458 0.716 0 50 FCAA CN(CCO)c1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cc1 1076099874 SZYJDVHUNDFDAB-SJORKVTESA-N 357.414 0.693 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2-n2cncn2)C1 1506408279 WTSUWKYGSZYYMS-CQSZACIVSA-N 365.459 0.960 0 50 FCAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCNC(=O)C3)OCC(=O)N2C2CC2)cc1 1529120010 QIWMEUMQMHCLLO-MSOLQXFVSA-N 373.409 0.085 0 50 FCAA O=C(CN1CCCCC1=O)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565516471 SNGHQAJIBPLXHQ-HOTGVXAUSA-N 359.426 0.391 0 50 FCAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CNC(=O)c3nonc3C)C1)CC2 1704326410 CKDJYQZNAZKFHU-SFHVURJKSA-N 370.413 0.713 0 50 FCAA CCc1nnc(N2C[C@@H](C(=O)N(C)CCc3ncon3)CC2=O)s1 1857710429 WWINCUYVXNEAQU-VIFPVBQESA-N 350.404 0.538 0 50 FCAA Cn1cccc1-c1nnc2ccc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cn12 1857720814 LPRVPQQLVMECHP-HIFRSBDPSA-N 355.398 0.550 0 50 FCAA COC[C@@]1(CNC(=O)c2cnn3ccncc23)CCCN1C(=O)C1CC1 1875327846 MYZUHCAUYFVHPR-SFHVURJKSA-N 357.414 0.877 0 50 FCAA CN(C)CC(=O)N[C@@]12CCC[C@H]1N(C(=O)CCc1ccc(=N)[nH]c1)CC2 1875346979 GIPNCYIWCBFXKL-DNVCBOLYSA-N 359.474 0.628 0 50 FCAA Cn1c(N2CC[C@H](N[C@@H]3CCc4ccccc4OC3)C2)cc(=O)n(C)c1=O 1875400249 VCBGONUTEBSGPL-JKSUJKDBSA-N 370.453 0.646 0 50 FCAA CC1=NO[C@H](C(=O)N[C@@H]2CCCC23CN(C(=O)Cn2ccc(C)n2)C3)C1 1875407756 HFYFCIZVBUNTIQ-LSDHHAIUSA-N 359.430 0.854 0 50 FCAA Cc1cnc(N2CCN[C@@H](C(F)F)C2)nc1N1CCN[C@H](C(F)F)C1 2325788953 VDASIUJKEBZUQM-WDEREUQCSA-N 362.375 0.872 0 50 FCAA CN1CC2(CCN(C(=O)C(=O)N=c3cc(C4CC4)n(C)[nH]3)CC2)OC1=O 2325818012 PLPNKSVAIGUGSI-UHFFFAOYSA-N 361.402 0.101 0 50 FCAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1CCN1CCOCC1 13721385 MHLRBZGYBGDTSF-UHFFFAOYSA-N 368.319 0.790 0 50 FCAA CC(=O)N[C@H]1[C@@H](O)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O 38287828 OPEPHRZBCPGJGP-JHMPBIJASA-N 351.355 0.254 0 50 FCAA in-vitro CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]c(=O)cc1O)C2 71738883 RVHTVDBDRFOKNM-UHFFFAOYSA-N 358.402 0.201 0 50 FCAA Cn1cccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c1=O 72149953 VLCFWUAEOXJRDI-SJORKVTESA-N 353.422 0.934 0 50 FCAA O=c1[nH]c(-c2cccnc2)nc2c1CCN(S(=O)(=O)N1CCCC1)C2 72155946 LLKDFKHGQMZQJV-UHFFFAOYSA-N 361.427 0.531 0 50 FCAA CC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C(C)C 77438536 RIHOFWINXNLZNL-LSDHHAIUSA-N 368.459 0.958 0 50 FCAA CCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cnn2ccccc12 82156802 GBSMSDMZYRUGQD-RYUDHWBXSA-N 354.407 0.826 0 50 FCAA Nc1nc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc(=O)[nH]1 91563005 QZVOMXHVBSQKMI-UHFFFAOYSA-N 366.381 0.156 0 50 FCAA Cc1cc(O)cc(=O)n1CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 176733628 PBVKTOSSHJKPQL-UHFFFAOYSA-N 373.384 0.986 0 50 FCAA O=C(NC[C@H]1CCCS1(=O)=O)N1CCCN(c2nccs2)CC1 178053252 GHOOPYYQEAMCEK-GFCCVEGCSA-N 358.489 0.942 0 50 FCAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cnn(C)c3)C2=O)cc1 206245637 SNSAVZDCWNJSJC-OAHLLOKOSA-N 371.397 0.920 0 50 FCAA O=C(Cc1cccnc1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 212931689 XVKMULNWJICGKL-SJORKVTESA-N 374.441 0.378 0 50 FCAA CC(=O)c1cc(CC(=O)N2CCN(CCN3CCOCC3)CC2)cs1 216133884 CLXNSOVAXQSNQS-UHFFFAOYSA-N 365.499 0.970 0 50 FCAA CC[C@]1(O)C(=O)N(c2cccc(C(=O)N(C)[C@H]3COC[C@@H]3O)c2)N=C1C 223175286 ISFJOIZMNGNLHY-RLFYNMQTSA-N 361.398 0.382 0 50 FCAA Cc1cccn2c(CNC(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)cnc12 243957142 CGMNCHCNNKFTKD-CQSZACIVSA-N 364.471 0.768 0 50 FCAA COCc1nnc(NC(=O)CN2CCC[C@@H](c3cc(O)ncn3)C2)s1 244633671 GHHWULIIPPWUFY-SNVBAGLBSA-N 364.431 0.998 0 50 FCAA CCOc1ccccc1[C@H](CC(=O)N1CCO[C@H](C(=O)O)C1)NC(C)=O 262992816 OOAYHVOJFUYFTP-HOCLYGCPSA-N 364.398 0.965 0 50 FCAA Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)o1 298290674 QEFGSJZNQVFBLK-UHFFFAOYSA-N 357.432 0.231 0 50 FCAA CC1(C)CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@@]2(CCOC2)O1 330160439 RCJIUEAKFABICD-XJKSGUPXSA-N 371.459 0.803 0 50 FCAA CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)ccc1F 374097834 AFHOIFNRNXMJFC-ZYHUDNBSSA-N 355.391 0.084 0 50 FCAA COCc1nc2n(n1)C[C@H](NC(=O)N1CC[S@](=O)C[C@@H](C)C1)CC2 1312243721 WTDZPTJNLIVPLH-ZBWQRKBMSA-N 355.464 0.149 0 50 FCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cccc2c1OCCO2 1565527403 LIYUFSZDRJWCPG-PUPMMZHASA-N 368.411 0.028 0 50 FCAA COc1ccc(CNC(=O)CN2CCC([C@H](O)CO)CC2)cc1OC 1772705650 OSCCMMZDZBICDN-OAHLLOKOSA-N 352.431 0.385 0 50 FCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(-c2noc(C3CC3)n2)cc1 1857680466 JFBOUDDKZXLUOJ-KBUPBQIOSA-N 357.366 0.871 0 50 FCAA Cc1ncc(C(=O)N2CC[C@H](NC(=O)Cc3cn(C)nn3)[C@H](F)C2)o1 1875359294 ACYMYGDPPVNPMD-NEPJUHHUSA-N 350.354 0.023 0 50 FCAA Cn1c(N2CC[C@H](N[C@@H]3COCc4ccccc43)C2)cc(=O)n(C)c1=O 1875400534 ZZIKQUFOPYNMNJ-GOEBONIOSA-N 356.426 0.524 0 50 FCAA CN(C(=O)[C@H]1C2C[C@@H]3C1[C@@H]3C2)[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)CC1 1875407053 RUGSWTUIYHNMFQ-OJXHDIJLSA-N 358.446 0.461 0 50 FCAA O=C(c1ccn(CCn2cccn2)n1)N1CCNC[C@@H]1c1ccncc1 2325795118 GGTCVQCHZHHMIU-QGZVFWFLSA-N 351.414 0.962 0 50 FCAA C/C(Cl)=C\Cn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 4541171 FGVFJBPNBKKAJD-ONNFQVAWSA-N 353.810 0.413 0 50 FCAA CCOCCn1c(=O)c2c(nc(-n3nc(CC)cc3CC)n2C)n(C)c1=O 12232131 ZOAJFOATBAHNHH-UHFFFAOYSA-N 374.445 0.781 0 50 FCAA CN1CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)C[C@@H]2C1=O 14534207 WTQUJUZIAXLHEB-MRXNPFEDSA-N 373.434 0.513 0 50 FCAA Cc1nc2c(c(N3CCC(C(N)=O)(N4CCCCC4)CC3)n1)CCNCC2 65433372 PYGQQALUHHZAJD-UHFFFAOYSA-N 372.517 0.783 0 50 FCAA COc1ccc(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)c(OC)n1 67727147 SGJOHDPNIREIJF-NSHDSACASA-N 357.432 0.500 0 50 FCAA O=C1N[C@@](c2ccccn2)(C2CCNCC2)C(=O)N1Cc1ncccn1 67866830 DRMNCIWHSTUMAW-GOSISDBHSA-N 352.398 0.819 0 50 FCAA Cc1nc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)no1 71745222 JCASYKVZJLFDDM-OAHLLOKOSA-N 363.462 0.918 0 50 FCAA CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72145682 MDBZLCPRXQOMRW-AWEZNQCLSA-N 357.813 0.620 0 50 FCAA COc1ccccc1-n1cc(C(=O)N2CCNC[C@@H]2C(=O)NC2CC2)cn1 72172683 MEJISTYKFTXCBD-MRXNPFEDSA-N 369.425 0.574 0 50 FCAA COC[C@H]1CCN(c2ncnc3c2CCN(C(=O)c2cc[nH]n2)CC3)C1 72408467 JADYHNWCSVQEAO-ZDUSSCGKSA-N 356.430 0.913 0 50 FCAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C(N)=O)CC2)c1 72433597 VFGGCEGAIKOKRL-OAHLLOKOSA-N 360.414 0.523 0 50 FCAA CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 72437301 RIUMZIHXBYMCKV-MRVPVSSYSA-N 365.506 0.717 0 50 FCAA COCCCN1C[C@@]2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CCC1=O 77297831 DFYORUOWEGILHP-GOSISDBHSA-N 362.430 0.651 0 50 FCAA COc1ccccc1C(=O)N1CCN(C(=O)CCCn2cnnn2)CC1 82160751 HPTRDLWKKYQILE-UHFFFAOYSA-N 358.402 0.447 0 50 FCAA COc1cc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)nc(N)n1 91965288 DKFOYFIEHYRAOW-LBPRGKRZSA-N 369.433 0.825 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)NC[C@@H]3C[C@H](F)CN3)ccc21 95355368 SMHXHOWYSGCALH-KBPBESRZSA-N 361.421 0.840 0 50 FCAA COc1ccc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(OC)n1 95380490 QSPWSWZIFKGHPT-SFHVURJKSA-N 362.430 0.525 0 50 FCAA O=C(Cn1ncc(N2CCNCC2)cc1=O)NCCc1ccc(F)cc1 95501205 BEYZZIOVNKNXHG-UHFFFAOYSA-N 359.405 0.151 0 50 FCAA CC(C)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1nc(-c2nnc[nH]2)no1 121035817 HPXWWYQSFIZVJR-SNVBAGLBSA-N 372.389 0.809 0 50 FCAA Cc1ccc([C@H](CNC(=O)N[C@@H]2CCN(C)C2=O)N2CCOCC2)o1 172530707 HCYHXANMVCRPRE-KGLIPLIRSA-N 350.419 0.491 0 50 FCAA O=C(CN1CCC(c2ccccc2)CC1)N[C@@H]1CS(=O)(=O)C[C@H]1O 215743478 HNEAVIMWDRXEEC-HZPDHXFCSA-N 352.456 0.140 0 50 FCAA CC(C)c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)nc2ncnn12 216048843 MMMJAMQCUBLTSE-UHFFFAOYSA-N 366.447 0.403 0 50 FCAA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(Cn2cccn2)c1 219477577 ZHZGUVSPGZRUNA-HZPDHXFCSA-N 358.398 0.321 0 50 FCAA C[C@H](NC(=O)[C@@H]1COCCN1)c1cc(F)ccc1N1CCC(O)CC1 237462456 UFASSPLRAFXCAQ-LRDDRELGSA-N 351.422 0.952 0 50 FCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 277349478 HTRSRBXRUZPZMY-SMDDNHRTSA-N 353.806 0.962 0 50 FCAA C[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(N2CCCNC2=O)cc1 291287927 QVYQHKZCKLMFFF-ZDUSSCGKSA-N 359.430 0.215 0 50 FCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccc(C(=O)O)c2)C1 299741208 DTEVYMOKUPLUQI-AWEZNQCLSA-N 354.428 0.715 0 50 FCAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3ccc(Cl)o3)cc2C1 299788474 TUFWIQUDIKLDNN-UHFFFAOYSA-N 358.807 0.835 0 50 FCAA COC(=O)[C@H]1CN=C(O)CN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 328594541 SCUUXLUWYALDCU-CQSZACIVSA-N 372.381 0.505 0 50 FCAA CCN(Cc1nnc(C)o1)[C@H]1CN(Cc2ncc(Cl)n2C)C[C@H]1O 328621370 AJRJVHWDYGOGMK-NWDGAFQWSA-N 354.842 0.832 0 50 FCAA CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 329953728 JNSDXKJWEQSXIN-STQMWFEESA-N 357.405 0.970 0 50 FCAA CC(C)(O)c1cn(C2CN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)nn1 364099350 FYJULJDGSWPCPM-CQSZACIVSA-N 356.382 0.671 0 50 FCAA CN1CC[C@@H](NC(=O)N2CCS(=O)(=O)CC2)[C@@H](Cc2ccccc2)C1 426387287 MTMDXLXTSMDAIC-DLBZAZTESA-N 365.499 0.989 0 50 FCAA COc1cccc(CNC(=O)N2CCN(C(C)=O)C[C@H](O)C2)c1OC 426627797 NHFMOIKSOLHXBD-AWEZNQCLSA-N 351.403 0.438 0 50 FCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1CCc1nc2ccccc2n1C 818177881 QQOCAVHYOHUASQ-OAHLLOKOSA-N 353.430 0.646 0 50 FCAA CN1CCO[C@@H](CNC(=O)Cn2cc(Cl)cn2)[C@@H]1c1cncn1C 952853026 WNOKHAWCOKZDPI-ZFWWWQNUSA-N 352.826 0.458 0 50 FCAA CN1CC(=O)N(CC(=O)N2CCCN(Cc3nccn3C3CC3)CC2)C1=O 1772706216 IGDXNLDVTCOXKF-UHFFFAOYSA-N 374.445 0.146 0 50 FCAA Cc1cc(N2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3(C)C)CC2)nc(N)n1 1772814029 GALJSUZPNNDPOK-ZDUSSCGKSA-N 360.462 0.663 0 50 FCAA O=C1CC[C@H](C(=O)N2CCCN(C(=O)NCc3cccc(F)c3)CC2)N1 1800410626 XZEPPZCGXGGQGW-OAHLLOKOSA-N 362.405 0.848 0 50 FCAA Cc1ccccc1CNC(=O)[C@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1857529538 VJVVUZRSFRYKHB-MRXNPFEDSA-N 362.455 0.904 0 50 FCAA CCOCc1nnc(N2C[C@H](C(=O)NCCn3cccn3)CC2=O)s1 1857709469 ZEKUAXUMKKLBBS-LLVKDONJSA-N 364.431 0.440 0 50 FCAA O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857717000 HXZRXYUIHKBRKV-YHUYYLMFSA-N 372.425 0.305 0 50 FCAA C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C2CC2)[C@@H](C(N)=O)C1 1875267300 GAELCAGTYOFLQS-ZUZCIYMTSA-N 352.385 0.926 0 50 FCAA COC(=O)/C=C/CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1875312029 RDHCZACKGHZBRC-YFOKADDASA-N 364.373 0.175 0 50 FCAA Cc1c(-c2cc(C(=O)N3CCC4(CC3)CNC(=O)CO4)no2)cnn1C 2356164373 QNWOOAWDLFAXEB-UHFFFAOYSA-N 359.386 0.505 0 50 FCAA N=c1ncc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc3nn[nH]c3c2)c[nH]1 2356167291 MJRCQHQDDZBTIX-HOTGVXAUSA-N 364.413 0.649 0 50 FCAA C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 631628 GPYLJSOXMBAIPW-NSHDSACASA-N 360.439 0.955 0 50 FCAA biogenic CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCCO2 7216464 BIKFJCPBDLRQPB-LLVKDONJSA-N 361.441 0.656 0 50 FCAA O=C(NCCN1CCNCC1)C(=O)Nc1ccc(Br)cc1 22035021 MBPGITGJJDPCNS-UHFFFAOYSA-N 355.236 0.409 0 50 FCAA Cc1ccc(OC2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCNCC2)cc1 65395981 CGNBBRSTPNUXGM-CQSZACIVSA-N 352.456 0.799 0 50 FCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)CC2 67650606 CELAAHMDEFZTTD-INIZCTEOSA-N 352.394 0.880 0 50 FCAA CC(=O)N[C@@H](CO)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 67955217 GIRJSHLHPYYITO-HNNXBMFYSA-N 364.352 0.737 0 50 FCAA NS(=O)(=O)CCCC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72149492 KTLLMTIROPTOGP-MRXNPFEDSA-N 351.428 0.568 0 50 FCAA O=C(N[C@@H]1CCN(C(=O)CSc2ccccn2)C[C@H]1O)c1ccncc1 77385460 MVDZYELDEIBPFX-HUUCEWRRSA-N 372.450 0.961 0 50 FCAA CC(=O)C(=O)N1CCc2cc(S(=O)(=O)NCC[C@@H](C)O)ccc2C1 77439280 QTHZLKDYZYBMKT-LLVKDONJSA-N 354.428 0.210 0 50 FCAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 77454209 NGZPNGVYZFZYRI-GXTWGEPZSA-N 355.435 0.575 0 50 FCAA COCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1cn[nH]c1)CC2 91586978 QXRKPMILUOQRJX-UHFFFAOYSA-N 356.448 0.449 0 50 FCAA Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)c(=O)[nH]1 91664261 ZLDBDRRTHVGYDT-LSDHHAIUSA-N 368.441 0.847 0 50 FCAA Cc1cc(N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)ncn1 91914880 LWTRETJZFXLVCH-UHFFFAOYSA-N 362.459 0.822 0 50 FCAA CCN1CCN(C[C@@H]2CN(c3ncccc3C(=O)NC)C[C@@H]2CO)CC1 95354407 BTIFFWOHPQMPQI-HZPDHXFCSA-N 361.490 0.123 0 50 FCAA COc1cc(NC(=O)NCCN2CCOCC2)cc(-n2nnnc2C)c1 95501104 MLYYBWCKMFUKQC-UHFFFAOYSA-N 361.406 0.433 0 50 FCAA O=C1CNC(=O)N1Cc1nc(Cn2cncn2)nn1Cc1ccccc1 95507939 GPDLTCWPFIVYEE-UHFFFAOYSA-N 352.358 0.018 0 50 FCAA O=C(CCCn1nnnc1CN1CCOCC1)N1C[C@H]2CC=CC[C@H]2C1 95511351 LACTUOUJYFFCAP-IYBDPMFKSA-N 360.462 0.710 0 50 FCAA COC(=O)c1cc(NC(=O)N2CCOC[C@@H](CO)C2)cc(C(=O)OC)c1 95527076 MXWKOVMUHYPOHP-LLVKDONJSA-N 366.370 0.732 0 50 FCAA Cc1cc(C)cc(CN2CCN(c3cc(NCCO)nc(N)n3)CC2=O)c1 96148184 JRJHQCIGJNPPEO-UHFFFAOYSA-N 370.457 0.929 0 50 FCAA O=C(Nc1ccnn1-c1ccccc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 96152628 GUPJVCAOUSVJKZ-UONOGXRCSA-N 361.427 0.475 0 50 FCAA O=C1CN(Cc2nc(Cn3cncn3)nn2CCc2ccccc2)C(=O)N1 96180013 JWUUHJCMRZBUEP-UHFFFAOYSA-N 366.385 0.212 0 50 FCAA CS(=O)(=O)N1CCC(NC(=O)c2cnc(-c3ccncc3)nc2)CC1 102533405 HOCOLZNOELNGNN-UHFFFAOYSA-N 361.427 0.692 0 50 FCAA C[C@@H](O)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 170624262 ITHNLVASBVLQOS-LLVKDONJSA-N 353.382 0.734 0 50 FCAA O=C(CN1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2)N1CCNCC1 212702352 IGAANUBVHTYNSK-XLIONFOSSA-N 368.525 0.982 0 50 FCAA COc1cc(=O)n2c(c1C(=O)NCCc1scnc1C)CCNCC2 220502561 IEQBPUMBBCWYGN-UHFFFAOYSA-N 362.455 0.740 0 50 FCAA O=C([C@@H]1CCCCn2nnnc21)N1CCC(CO)(CN2CCCC2)CC1 222706627 IDVKUPTWSFSCLT-OAHLLOKOSA-N 362.478 0.638 0 50 FCAA COC[C@@H]1[C@@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)[C@@H]2CCO[C@@H]21 222919705 PAEHWJNCEMPWRL-DACLVMHWSA-N 357.410 0.642 0 50 FCAA CN(c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)cc1)S(C)(=O)=O 244584404 CYSIJSWRKZCLKA-ZDUSSCGKSA-N 356.400 0.398 0 50 FCAA Cn1cc([C@H](NC(=O)c2cnc3ccccn3c2=O)[C@H]2C[C@H](O)C2)cn1 244678820 IKVPTWOBZZNUGR-AXAPSJFSSA-N 353.382 0.670 0 50 FCAA O=C(COc1ccccc1)NCC(=O)N1CC[C@H](CN2CCOCC2)C1 266053436 AZZBHOIPXWLVTJ-MRXNPFEDSA-N 361.442 0.362 0 50 FCAA CCn1c(O)nc2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)ccc2c1=O 268941401 FFOFXPXPMVICCU-LLVKDONJSA-N 361.354 0.438 0 50 FCAA COc1ncc(C)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 273727196 OYRIOTPCERYFAH-LBPRGKRZSA-N 361.402 0.400 0 50 FCAA C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)[C@H]1CCCO1 275534883 ZBEWJMDIOFUTIO-FPMFFAJLSA-N 356.448 0.469 0 50 FCAA COc1ccc(NC(=O)N[C@@H](C)Cn2cncn2)cc1NS(C)(=O)=O 299645720 OJHVMIGOTAMXOH-JTQLQIEISA-N 368.419 0.868 0 50 FCAA Cc1n[nH]c(SCC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)n1 299767717 JDBHJTHJKXGCPQ-VXGBXAGGSA-N 368.488 0.413 0 50 FCAA CN1N=C(C(=O)N2CCC[C@H](N(C)Cc3nccc(N)n3)CC2)CCC1=O 328629266 IBRBHIBQZHMQEU-ZDUSSCGKSA-N 373.461 0.480 0 50 FCAA Cc1cc(=NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159166 KGGFLHRLQUOSRJ-ADEWGFFLSA-N 355.416 0.268 0 50 FCAA COc1cc(C(=O)N2CCN(Cc3nccn3C)CC2)ccc1OCCN 426387783 BIHBFTNLVASXEO-UHFFFAOYSA-N 373.457 0.724 0 50 FCAA CNC(=O)C1(NC(=O)NCCc2nncn2CCOC)CCCCC1 426552142 WSVCLUXWPIHCGA-UHFFFAOYSA-N 352.439 0.215 0 50 FCAA CC(C)n1nccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 670434340 GDWDGQWGRVPFGN-ZDUSSCGKSA-N 357.480 0.330 0 50 FCAA O=C(O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](CO)C2)ccc1O 828711172 NANKLXDCOHWARD-GFCCVEGCSA-N 372.443 0.463 0 50 FCAA CCCc1n[nH]cc1C(=O)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565506703 ROWAFXMDPHVHAX-GJZGRUSLSA-N 350.463 0.765 0 50 FCAA COc1ccc2[nH]cc(C(=O)N[C@H]3CCN(C(C)=O)C[C@@H]3O)c(=O)c2c1 1565526187 DFEYAXRVUVMESZ-HOTGVXAUSA-N 359.382 0.248 0 50 FCAA CN1CCC[C@]2(CO)CCN(c3cc(N4CCC(O)CC4)ncn3)C[C@@H]12 1704315381 BLSQWESHSHJTMB-VQIMIIECSA-N 361.490 0.721 0 50 FCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(S(C)(=O)=O)CC3)n[nH]c21 1857529095 TTXBSPXOKNEUFK-MNOVXSKESA-N 356.448 0.539 0 50 FCAA O=C1CCN(S(=O)(=O)c2ccc(F)c3cnccc23)[C@@H]2COCCN12 1875305341 AJOSHKROSZTFOU-OAHLLOKOSA-N 365.386 0.953 0 50 FCAA CN(C)C(=O)C1(NC(=O)Cn2cc([C@H]3CCOC3)cn2)CC(F)(F)C1 1875396325 BVKVXZMRHVWJIO-NSHDSACASA-N 356.373 0.759 0 50 FCAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1cc2n(n1)CCOC2 1875401055 DQZHWZBOXIUYQG-GXTWGEPZSA-N 358.402 0.861 0 50 FCAA CN(C)CC[C@H]1NC(=O)[C@@H](Cc2ccccc2Br)NC1=O 2325770411 VRBREUBDPIICBI-CHWSQXEVSA-N 354.248 0.927 0 50 FCAA CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)OC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 2325783866 ISMFRRYUCURMTI-NYTXWWLZSA-N 374.441 0.675 0 50 FCAA Cc1cnn(C2CCN(C(=O)C(=O)NCCc3nc(C4CC4)no3)CC2)c1 2325820420 UVOQJSXIDFVRHS-UHFFFAOYSA-N 372.429 0.974 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)C2 2356170192 ZEGMDQZWICWWCG-SGTLLEGYSA-N 360.366 0.303 0 50 FCAA Cc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(F)cc1 11690474 RXWUDGFZNAZFFU-CYBMUJFWSA-N 352.391 0.974 0 50 FCAA O=C(CCN1CCN(c2cnccn2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 26171003 BASKUKRVNPKXMK-UHFFFAOYSA-N 367.413 0.797 0 50 FCAA COCCCN1CC[C@@H](CNC(=O)CCn2c(C)cc(C)nc2=O)C1 55228271 OFQLKYCCANVHNX-INIZCTEOSA-N 350.463 0.725 0 50 FCAA COc1cc2c(cc1CN1CCC3(CC1)NCCNC3=O)OCCCO2 67947163 VYBGZJBBRYAQPF-UHFFFAOYSA-N 361.442 0.911 0 50 FCAA CCn1ncnc1CN1CCn2nc(C(=O)NCc3ccccn3)cc2C1 67983459 LJFSIRKZFOXIMG-UHFFFAOYSA-N 366.429 0.835 0 50 FCAA O=C(O)c1cc(-n2cncn2)cc(S(=O)(=O)N2CCSCC2)c1 71751018 LXYFKKWDRVRHHE-UHFFFAOYSA-N 354.413 0.703 0 50 FCAA CCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 72119127 HWGPEBUWFFGHES-UHFFFAOYSA-N 350.448 0.751 0 50 FCAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)n[nH]1 72134546 WEZRVUXHTVFUTI-HNNXBMFYSA-N 356.430 0.428 0 50 FCAA O=C(c1cn(-c2ccccc2)nn1)N1CCCO[C@@H](CN2CCOCC2)C1 72147306 UCIVSSXTUKOFFD-KRWDZBQOSA-N 371.441 0.831 0 50 FCAA CCCn1cnnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 72152398 LFRVDGVTTGRMAX-INIZCTEOSA-N 370.457 0.695 0 50 FCAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@H]21 72454099 YQXQDJDIOWQXSJ-UONOGXRCSA-N 359.492 0.421 0 50 FCAA COCCN1C[C@@]2(CCCN(C(=O)Cn3nc(C)cc3N)C2)CCC1=O 77298299 JFEAANFDSOLSCB-SFHVURJKSA-N 363.462 0.651 0 50 FCAA COCC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C1 77389149 IRZRFPGILPJJOD-HNNXBMFYSA-N 368.455 0.675 0 50 FCAA COc1ccc(-n2cc([C@H](C)NC(=O)c3cn(CCN)nn3)cn2)cc1 77407158 JDFGGTJXZWKSAU-LBPRGKRZSA-N 355.402 0.922 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCCN(c3ccnc(C)c3)CC2)CC1=O 82162140 GCRZIQQPOUKPOP-INIZCTEOSA-N 360.458 0.924 0 50 FCAA O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)[C@H]1CCC(=O)N(C2CC2)C1 92045834 XEOWSPWGYVPYDB-LBPRGKRZSA-N 370.409 0.207 0 50 FCAA COc1cccc2c1OC[C@@H](CNC(=O)c1cc(=O)n(C)c(=O)n1C)C2 95372719 QTFOGYJVOLESBD-LLVKDONJSA-N 359.382 0.074 0 50 FCAA COCCc1nc(CN2CCCCCC2=O)n([C@H]2CCS(=O)(=O)C2)n1 96162095 JQMPOCMWJMADTA-ZDUSSCGKSA-N 370.475 0.729 0 50 FCAA NC(=O)[C@H]1CN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 250564570 STBOHAYZQHSDJV-IUODEOHRSA-N 350.394 0.548 0 50 FCAA CSCC[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O 252523279 CGKKXCINGCIIBC-YPMHNXCESA-N 369.443 0.915 0 50 FCAA Cn1cc(/C=C/C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c(=O)n(C)c1=O 268942393 MOVLLXKJIOXFOH-LZFDNUDYSA-N 361.398 0.342 0 50 FCAA COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC[C@H](C(=O)O)C3)CC2=O)c1 269192889 OTLMPBDYJMEBCF-RYUDHWBXSA-N 362.382 0.990 0 50 FCAA Cc1cc2c(NC(=O)N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cccc2nn1 299764695 CKTNUGYAKHYRNI-LSDHHAIUSA-N 361.427 0.541 0 50 FCAA CN(Cc1ccccc1)S(=O)(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299775312 DCRSJZIKZTYMIT-HOTGVXAUSA-N 363.443 0.801 0 50 FCAA COc1ccc(OCCCN)c(C(=O)NC2CCS(=O)(=O)CC2)c1 299775424 FLDCUNSTZCEUHF-UHFFFAOYSA-N 356.444 0.730 0 50 FCAA CC(C)n1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCO)c2)n1 408520901 ANSHEBQRYZVKAF-UHFFFAOYSA-N 352.416 0.987 0 50 FCAA CCCn1nccc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1 426438843 LGFXFVGYIRVFFV-UHFFFAOYSA-N 366.447 0.330 0 50 FCAA CN1CCN(CC2(CNC(=O)NCCNC(=O)c3cccnc3)CC2)CC1 534649285 FKFMOPJBTANVMY-UHFFFAOYSA-N 374.489 0.138 0 50 FCAA O=C(CC1(n2cccc2)CCSCC1)N[C@@H]1CS(=O)(=O)C[C@@H]1O 888104934 QUKOVQHXXWEDIS-OLZOCXBDSA-N 358.485 0.375 0 50 FCAA CNC(=O)Cn1cc(NC(=O)CN[C@H]2CCc3ccccc3OC2)cn1 952845054 PGMNUEFTQNOZLY-AWEZNQCLSA-N 357.414 0.551 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(CCCOCc2ccccc2)C[C@@H]1O 1529090381 HWYHRFOCGLCVOU-IRXDYDNUSA-N 356.488 0.777 0 50 FCAA O=C(N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O)c1cnc2c(c1)CCC2 1565525631 IYHXNHDXGUBNSV-WMZOPIPTSA-N 366.421 0.971 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]2O)n[nH]1 1704305512 XBSGRHBGETVPEQ-DOMZBBRYSA-N 364.427 0.041 0 50 FCAA CO[C@H]1CN(c2ccnc(N(C)C)n2)C[C@H]1NC(=O)CCn1cccn1 1857532757 QTXJKEWCJIYXJM-KGLIPLIRSA-N 359.434 0.149 0 50 FCAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4[nH]nnc4C)C[C@@]3(CO)C2)c(C)o1 1857673181 KRDOEJZSKPDDTR-SCLBCKFNSA-N 373.413 0.530 0 50 FCAA Cc1nc(CCNC(=O)c2cc3n(n2)CCN(C)C3=O)nc2c1CCCC2 1857675004 HIHQCANYSLREHS-UHFFFAOYSA-N 368.441 0.918 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 1875369530 UJYCYRCAJUTPBK-AWEZNQCLSA-N 359.430 0.375 0 50 FCAA COc1ccnc(O)c1CNc1nccc(N2C[C@H](N(C)C)[C@H](OC)C2)n1 1875398397 OHLIZNOWNFAJDI-DZGCQCFKSA-N 374.445 0.963 0 50 FCAA Nc1ncnc2c1ncn2Cc1cn(CCC(=O)N[C@@H]2CC[C@@H]2F)nn1 2325826589 GIBMAFAIDFBTRK-WDEREUQCSA-N 359.369 0.055 0 50 FCAA CO[C@H]1COc2ccccc2[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 2325829753 RDFZSTPOKIJOSJ-RMHZUWNSSA-N 359.426 0.604 0 50 FCAA C[C@@H](CC(=O)NC[C@]1(C2CC2)CCN(c2nnnn2C)C1)n1cccn1 2325860953 ZWBRDUTXWKEEGS-SUMWQHHRSA-N 358.450 0.781 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)=O)cc1 2325889760 RIGSQFRBINIDHY-DLBZAZTESA-N 357.410 0.907 0 50 FCAA O=C(c1nc2ncccn2n1)N1CCc2nc(C3CCOCC3)nn2CC1 2356165578 KAHURWNOVWXAEO-UHFFFAOYSA-N 368.401 0.308 0 50 FCAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1 627917 YQOFZWDSOXVCFV-UHFFFAOYSA-N 369.443 0.040 0 50 FCAA COCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 4995900 KYEDKMGTMCLFLD-UHFFFAOYSA-N 360.432 0.623 0 50 FCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 15063663 DTALYSBCUYIILH-INIZCTEOSA-N 364.490 0.446 0 50 FCAA O=S(=O)(NC1=NCN(C[C@@H]2CCCO2)CN1)c1ccc(Cl)cc1 19959307 VZVSOULZEGIULG-LBPRGKRZSA-N 358.851 0.974 0 50 FCAA NC(=O)[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cc3F)[nH]n2)CCO1 71315507 JFMKGLREKQCCDI-AWEZNQCLSA-N 366.324 0.593 0 50 FCAA NC(=O)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 72158780 DPQGGWFJVHUMMB-INIZCTEOSA-N 354.410 0.132 0 50 FCAA CNC(=O)CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72166293 JNMYEVIVFGQDGA-QGZVFWFLSA-N 374.485 0.743 0 50 FCAA CN1CCCN(C(=O)C[C@H]2COCCN2C(=O)CCc2ccncc2)CC1 72424537 PPYOVPUMXGFJAO-SFHVURJKSA-N 374.485 0.796 0 50 FCAA CN(C)CCN1CC2(CCN(C(=O)CCc3cc(O)no3)CC2)OC1=O 77301087 UWSOUZNINODRLX-UHFFFAOYSA-N 366.418 0.688 0 50 FCAA O=C(c1ccc2nnnn2c1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82086576 MWOJVCWXOAKXFX-UHFFFAOYSA-N 362.353 0.490 0 50 FCAA CN(CCO)C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)C[C@@H]1CO 91664731 KHVKAVKAZXSQHN-HUUCEWRRSA-N 350.434 0.848 0 50 FCAA Cc1nonc1CC(=O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91745915 VVEPMZZHTPGQTD-GOSISDBHSA-N 362.430 0.941 0 50 FCAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1 91847603 DIOXFXGNUWDETK-KGLIPLIRSA-N 374.441 0.375 0 50 FCAA N[C@@H](CO)C(=O)N1CCC2(CCC(=O)N(Cc3cccs3)C2)CC1 91871299 AIVCMPBYBBKXJT-AWEZNQCLSA-N 351.472 0.799 0 50 FCAA Cc1cc(-n2cnnn2)cc(NC(=O)NC[C@@H]2COCCN(C)C2)c1C 96138305 ASYTVTFLZIQDJP-AWEZNQCLSA-N 359.434 0.979 0 50 FCAA COCCCn1cnnc1[C@H](C)NC(=O)Cn1ncc2ccccc2c1=O 97696228 DTABLAPIUZZEMQ-ZDUSSCGKSA-N 370.413 0.902 0 50 FCAA NCCc1cc(N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ncn1 106688885 PEPCACIAGIMAMM-ZWVUXNTGSA-N 364.497 0.957 0 50 FCAA CCCCSc1ncc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)cn1 216452138 DSLGWCJWMOYTDQ-CQSZACIVSA-N 363.487 0.854 0 50 FCAA Cn1nc(C(=O)N2CCN(c3cc(O)nc(N)n3)CC2)c2ccccc21 253536741 MUNRNVPAULJPTP-UHFFFAOYSA-N 353.386 0.614 0 50 FCAA CC(C)[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1 262152379 UCLWAABNMXRTRL-KGLIPLIRSA-N 359.386 0.849 0 50 FCAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265354390 UPNWLCUHNAAMKR-YPMHNXCESA-N 373.500 0.653 0 50 FCAA COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c(F)c1 299780886 ACNRCLWYNBILKE-HUUCEWRRSA-N 361.439 0.166 0 50 FCAA CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 329841974 OUDOMSFRLSTEAY-GJZGRUSLSA-N 364.450 0.329 0 50 FCAA Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)s1 333885181 FOHTTZKPRWDEGM-NEPJUHHUSA-N 365.498 0.942 0 50 FCAA O=C(CN1CCN(C(=O)NCc2cc(C3CC3)n[nH]2)CC1)N1CCCC1 426684013 YICPGYOVQDRGDI-UHFFFAOYSA-N 360.462 0.737 0 50 FCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnn(C)c1Br 818381589 VEWYMHXLCWSAKD-CYBMUJFWSA-N 359.224 0.550 0 50 FCAA CN1C[C@@H](CN2CCC(c3nccc(N4CCOCC4)n3)CC2)OC1=O 952894324 ZKBFMKZHKZUJMB-HNNXBMFYSA-N 361.446 0.943 0 50 FCAA O=C1CO[C@H](C(=O)N2CCN(C3CCCC3)C(=O)C2)[C@@H](c2ccccc2)N1 1529100751 ZBBARDLEOWXIQQ-MOPGFXCFSA-N 371.437 0.856 0 50 FCAA Cc1ccc(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1F 1704302500 NFHQSHYFTHFPGN-ZFWWWQNUSA-N 358.435 0.699 0 50 FCAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(-n2cnnn2)n[nH]1 1857676121 CSUWGPSEVPILGS-CQSZACIVSA-N 352.402 0.514 0 50 FCAA NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCc3ncnn3C2)CC1 1857707771 JERDGPSJVQHCQL-CQSZACIVSA-N 360.462 0.173 0 50 FCAA CN(C)CCN(C)C[C@H](O)C1CCN(C(=O)c2ccncc2F)CC1 1857736632 UMLQCFGPNMEKBZ-KRWDZBQOSA-N 352.454 0.927 0 50 FCAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)C3(CO)CNC3)C1)CC2 1857741133 DPERFPDVFHVDTC-IBGZPJMESA-N 374.485 0.868 0 50 FCAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 1875250443 ZEZHWFLWCPYSQF-NWANDNLSSA-N 370.409 0.450 0 50 FCAA N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)C2(CCC2)C1 1875346400 CPBUWSULFNGRQN-GFCCVEGCSA-N 365.455 0.843 0 50 FCAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2ccoc2)ncn1 1875400748 KOUHBAXICLGLAO-HUUCEWRRSA-N 359.430 0.824 0 50 FCAA CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)NC1CCC(NS(C)(=O)=O)CC1 2325829407 JGORORGPNAFUFW-PFSRBDOWSA-N 372.491 0.252 0 50 FCAA CC(C)CNC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887159 WNYGBZPDNPQAJC-HNNXBMFYSA-N 372.425 0.903 0 50 FCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cncc(C(N)=O)n3)C1)CC2 2356146273 ZCGSJDLSMAHITF-GOSISDBHSA-N 353.430 0.916 0 50 FCAA Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1C 4314492 JFYJZBQECBAYCN-UHFFFAOYSA-N 358.446 0.789 0 50 FCAA COCCN1C[C@H](C(=O)NCCc2cn3ccsc3n2)CCC1=O 11935604 RKFJEJVBJUPCSN-GFCCVEGCSA-N 350.444 0.940 0 50 FCAA CCS(=O)(=O)N1C[C@H](C(=O)NC[C@@H]2CCCO2)Oc2ccccc21 16650456 VGXPYDLKHXLGOI-SWLSCSKDSA-N 354.428 0.899 0 50 FCAA Cc1ccsc1S(=O)(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 23398902 REOATIFIEHZBEG-UHFFFAOYSA-N 354.457 0.661 0 50 FCAA Cc1ccc(OC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCNCC2)cc1 65395982 CGNBBRSTPNUXGM-AWEZNQCLSA-N 352.456 0.799 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65399262 RGUWZKRFZRSRTN-KGLIPLIRSA-N 358.446 0.030 0 50 FCAA Cc1n[nH]c([C@@H](C)NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n1 67447080 XQSVVSIRXBAAJI-ZCFIWIBFSA-N 371.444 0.558 0 50 FCAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CC2(CCNCC2)CN1 72119511 JZLJJIXUNKARRR-HNNXBMFYSA-N 369.462 0.447 0 50 FCAA CC(C)c1cc(C(=O)N2CCNC[C@@H]2C(=O)NCc2ccncc2)on1 72127239 MBRVBFWGYMHXNS-OAHLLOKOSA-N 357.414 0.923 0 50 FCAA Cc1ccnc(OCC(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)n1 72437747 DQGMMPNFNJOXCI-UHFFFAOYSA-N 357.418 0.369 0 50 FCAA CC(=O)NCCCC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 77440069 QVVBOSNRNPGPBC-UHFFFAOYSA-N 350.467 0.499 0 50 FCAA N[C@H]1CN(C(=O)CN2CCN(c3ncccn3)CC2)C[C@@H]1c1ccccc1 91270115 FXRAYNOGHDLQSL-MSOLQXFVSA-N 366.469 0.552 0 50 FCAA CC(C)[C@H]1CN(c2nccc(N)n2)C[C@@H]1NS(=O)(=O)N1CCCC1 91563163 VQWCZMAENZRQGC-OLZOCXBDSA-N 354.480 0.450 0 50 FCAA N[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCOCC3)cc2)C1 91807823 TWZUDFUDVCYAIH-AWEZNQCLSA-N 353.444 0.271 0 50 FCAA O=C(NCc1cn2cccnc2n1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95377988 UZGSWDDKHOZARV-CQSZACIVSA-N 350.382 0.789 0 50 FCAA O=C(Cc1nc2[nH]c3c(c(=O)n2n1)CCCC3)N1CCn2cncc2C1 102773621 OWPNWYHCGIRYMN-UHFFFAOYSA-N 353.386 0.078 0 50 FCAA Cc1cc(=O)[nH]c(NCCNC(=O)CN2CCOc3ccccc3C2)n1 219498591 MZPGFAYWSCETKV-UHFFFAOYSA-N 357.414 0.501 0 50 FCAA COc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)c(C)cc1C 222944637 IDJYQLYVEHCIDS-TZMCWYRMSA-N 373.427 0.849 0 50 FCAA CC(C)(C)OC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1 225846872 ZZISJNGXAIKBBY-UHFFFAOYSA-N 351.469 0.105 0 50 FCAA Cc1[nH]c(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)c(C)c1C(=O)O 244724050 MMMNXYAWGSQVET-LLVKDONJSA-N 357.432 0.731 0 50 FCAA O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CC[C@H](n2cnnc2)CC1 244852858 VAHJNQCUQSOKBV-HAQNSBGRSA-N 369.472 0.918 0 50 FCAA CN(Cc1ccccc1)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 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QLGMUCHSFATXHG-QOSBUDKSSA-N 363.465 0.961 0 50 FCAA O=C1NCCN2CCN(C(=O)NCCc3noc(C4CCCC4)n3)C[C@@H]12 584897204 PBYPCEAVJVTDEM-ZDUSSCGKSA-N 362.434 0.095 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)C1 952861741 JVERNPJHFQXTPE-QMTHXVAHSA-N 353.806 0.779 0 50 FCAA Cc1cccc(N(CC(=O)N2CC[C@](C)(O)[C@H](O)C2)S(C)(=O)=O)c1 1565515230 XKCGMXWDFBLJHT-ZBFHGGJFSA-N 356.444 0.105 0 50 FCAA Cc1ccc(-n2nnnc2N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 301968383 PKDAGLYHLQEXNA-MRXNPFEDSA-N 355.446 0.889 0 50 FCAA NC(=O)CN1CCC[C@]2(CO)CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]12 1704311672 PIQQPBYSHSQVDC-WIYYLYMNSA-N 371.481 0.562 0 50 FCAA CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(c1ncnc3[nH]cnc13)C2 1772706235 RASWCBNXVFKLFI-KBPBESRZSA-N 368.445 0.907 0 50 FCAA COc1cc(CN2CCC([C@@H](O)CO)CC2)cc(Cl)c1OCC(N)=O 1772701530 MOFXVJISGSKHAL-AWEZNQCLSA-N 372.849 0.778 0 50 FCAA O=C(c1ccc2nnnn2c1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 222484462 XBBOAXDLKCXYAD-OCCSQVGLSA-N 350.386 0.655 0 50 FCAA CN(C)Cc1cnn2c1CN(C(=O)c1cn(C)nc1[C@H]1CCOC1)CC2 952886417 NGIWSKVZAAPBSF-ZDUSSCGKSA-N 358.446 0.838 0 50 FCAA CCOCC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 1875322580 XKDFAFJEOWKKBD-GJZGRUSLSA-N 363.462 0.779 0 50 FCAA COCC1(C(=O)N2CC(N3CCOC[C@@H]3c3nc(C)no3)C2)CCC1 888095384 ZFOIHGRFPQJMCX-CQSZACIVSA-N 350.419 0.779 0 50 FCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2COc3ccccc3O2)cc1 806646 HWQKURMHCFAMKL-INIZCTEOSA-N 362.407 0.833 0 50 FCAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C12COC2 2325803070 OIOFEPRZKOSFHV-GJZGRUSLSA-N 358.394 0.737 0 50 FCAA O=C1NCCN(C[C@@H]2CC3(CC3)S(=O)(=O)N2)[C@H]1CC1CCCCC1 2325803829 FHGISQMVQWDNRT-GJZGRUSLSA-N 355.504 0.982 0 50 FCAA Cn1ncc2ncc(C(=O)NCC[C@@H]3CCCCN3S(C)(=O)=O)cc21 2356150279 UWAQRRNYCIHWRS-ZDUSSCGKSA-N 365.459 0.902 0 50 FCAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCCN3CCN(C)C3=O)cn12 2356154730 HQLOWLMTDOXOGD-AWEZNQCLSA-N 360.418 0.516 0 50 FCAA CNc1cc(N2CCC[C@H]2CNc2ccc(S(C)(=O)=O)cn2)ncn1 463251664 XNMCFDRRHTUMHW-LBPRGKRZSA-N 362.459 1.398 0 50 FCAA Cc1c(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)cnc2ccnn12 67692635 WQYMHRAUOWXRID-UHFFFAOYSA-N 356.430 0.464 0 50 FCAA O=C(Cn1c(=O)oc2ccccc21)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 65395864 IRFHXQCLWPRXPG-INIZCTEOSA-N 373.409 0.834 0 50 FCAA CN(C)S(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1 15074320 FKUBOYDOGUTYQE-HNNXBMFYSA-N 353.444 0.969 0 50 FCAA Cc1nn(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)cc1Cl 72469061 OQMRYBBCRWEFQI-GXTWGEPZSA-N 353.854 0.643 0 50 FCAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]3C1=O 77357617 FLFHFBSBAGJIFF-XLSPSMHOSA-N 361.486 0.979 0 50 FCAA Cc1nc(CCNC(=O)CCc2cc3n(n2)CCNC3)nc2c1CCC2 72439652 HHUOIUBJKXJQAL-UHFFFAOYSA-N 354.458 0.865 0 50 FCAA COc1cc(C(=O)N2CCC[C@@H]2C(=O)O)cc(Cl)c1OCC(N)=O 262065406 AZTXFRDJOLZKFX-SNVBAGLBSA-N 356.762 0.902 0 50 FCAA O=C(NCCC(=O)N1CCO[C@]2(CNCCOC2)C1)c1ccccc1F 72169104 GSOFEPYFJLSHOP-GOSISDBHSA-N 365.405 0.163 0 50 FCAA COc1ccc(CN2CCN(C(C)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O 72473288 FCTQFWSKDGOIHP-UONOGXRCSA-N 354.428 0.231 0 50 FCAA CCCN1CCN(C(=O)Cn2ccnc2CC)[C@H]2CS(=O)(=O)C[C@H]21 77471273 UIPMNAFKMMZZQP-KGLIPLIRSA-N 354.476 0.165 0 50 FCAA CCc1ncc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cn1 223101452 CUMJNBFVYKSXKO-INIZCTEOSA-N 358.446 0.877 0 50 FCAA CCCO[C@H](C)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82097806 DNIGFENIFCKLIU-GFCCVEGCSA-N 358.464 0.480 0 50 FCAA O=C(COc1ccc(-n2cnnn2)cc1)N1CC[C@]2(CCCNC2=O)C1 91713801 CFNLSCXREHKGTI-QGZVFWFLSA-N 356.386 0.170 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccn1C)CC2 91725774 KJXCUHQPLJQFPD-UHFFFAOYSA-N 371.441 0.911 0 50 FCAA CS(=O)(=O)NCCC(=O)N1C[C@H](C2CC2)[C@@H](Nc2ncccn2)C1 91624895 DANFAABJMJEGDU-OLZOCXBDSA-N 353.448 0.065 0 50 FCAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCn2c(C)cccc2=O)C1 244795379 RFIXXFMMBHFCCW-OKILXGFUSA-N 359.430 0.713 0 50 FCAA CC(=O)[C@@]12[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H]1[C@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 252427767 FCTNJUJIKYLXCW-MBXAOPCHSA-N 369.211 0.947 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)NCCC(=O)N1CCCC1 299800128 WBULCQOELQXCAE-UHFFFAOYSA-N 354.432 0.776 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCc1n[nH]c2c1CCC2 299775479 FXWZIMIGWRFGID-UHFFFAOYSA-N 355.446 0.679 0 50 FCAA CCc1noc(CN(C)C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 299780331 AIBCRNRWEYXUQB-ZDUSSCGKSA-N 370.475 0.490 0 50 FCAA Cc1ccn2c(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)nnc2n1 1565509027 CXLCXSSQRAGMEH-STQMWFEESA-N 373.442 0.254 0 50 FCAA Cc1nsnc1C(=O)N1C[C@@H]2CN(C(=O)NC(C)C)C[C@]2(CO)C1 1800410551 VDTVLQSCDSJFNK-ABAIWWIYSA-N 353.448 0.331 0 50 FCAA O=C(c1ccno1)N1CC[C@]2(C1)Cn1c(nnc1-c1cnccn1)CO2 1857684552 SEXWCDLXWCTWMI-INIZCTEOSA-N 353.342 0.538 0 50 FCAA O=C(c1cnc2ccccn2c1=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857724265 SDIMZWRMHWWATK-GDBMZVCRSA-N 354.410 0.630 0 50 FCAA O=C(c1nc2ncccn2n1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857735813 UIFSPIDUEOUSSB-DEXNDLTESA-N 365.393 0.333 0 50 FCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)Cn1ncc2ccccc21 818365640 BVQFQGKMEZKLAK-CQSZACIVSA-N 353.386 0.093 0 50 FCAA Cc1cc(=O)c(C(=O)N[C@H]2CCC(=O)NC2=O)nn1-c1ccc(Cl)cc1 1859588705 SRSJRDUZFXPYJF-LBPRGKRZSA-N 374.784 0.729 0 50 FCAA Cc1nnc(-c2ccc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)cc2)n1C 1875266827 CZLFKRHGCPXHTN-UHFFFAOYSA-N 366.429 0.867 0 50 FCAA CO[C@@H]1CN(c2ccnc(N3CC(O)(c4ccccc4)C3)n2)C[C@@H]1N(C)C 1875398076 AAZZOZUDIHNXLH-DLBZAZTESA-N 369.469 0.950 0 50 FCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC2CC(c3ncc[nH]3)C2)ncn1 1875398222 HPXIWAFALOBXPG-NEXFUWMNSA-N 357.462 0.741 0 50 FCAA CN1C(=O)CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H]1c1nccn1C 886085039 WSNFBACSOOJCGM-IUODEOHRSA-N 357.418 0.514 0 50 FCAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)ccn1 1775959608 KCZXDLQRHBODHN-QGZVFWFLSA-N 356.426 0.985 0 50 FCAA CC(C)c1nc(O)ccc1C(=O)N1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 2100543154 NDUZWGUOTFMSJX-AAEUAGOBSA-N 371.459 0.235 0 50 FCAA COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 869721 VKHSMSXRBASPKG-UHFFFAOYSA-N 357.370 0.389 0 50 FCAA biogenic O=C(NCCOC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1 2902946 YFEJJFZVNYTVCS-UHFFFAOYSA-N 373.390 0.907 0 50 FCAA Cn1c(=O)c2c(nc3n2CCN3c2ccccc2OCCCO)n(C)c1=O 36696114 PUALTCOLJJOTET-UHFFFAOYSA-N 371.397 0.347 0 50 FCAA CCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 55558727 OTACTVQHYMMTKQ-UHFFFAOYSA-N 368.441 0.765 0 50 FCAA Cc1nc([C@@H]2CCCNC2)cc(N2CCC(NS(C)(=O)=O)CC2)n1 67850636 MOXAZGGKEGHJKR-CYBMUJFWSA-N 353.492 0.770 0 50 FCAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3ncccn3)CC2)C1 71762296 OICXWPLDIZHJDZ-INIZCTEOSA-N 361.490 0.916 0 50 FCAA CC(C)[C@@H]1CN(C(=O)c2cn(CCCN)nn2)CCC(=O)N1CC1CC1 71764351 NVVRTBUEDDXHBB-INIZCTEOSA-N 362.478 0.736 0 50 FCAA O=C([C@H]1CC2(CCNCC2)CN1)N1CCCN(Cc2ccncc2)CC1 72151821 UQIAEUGEXADDNJ-GOSISDBHSA-N 357.502 0.848 0 50 FCAA O=C([C@H]1CCCO1)N1CCCN(S(=O)(=O)NCc2ccccc2)CC1 72158438 DJVQNJYXBKASNH-MRXNPFEDSA-N 367.471 0.734 0 50 FCAA CN(C)S(=O)(=O)N1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 72407041 WQTOUSDACQRARP-CYBMUJFWSA-N 356.496 0.397 0 50 FCAA CN1CCN(Cc2ccccc2Cn2cccn2)[C@H]2CS(=O)(=O)C[C@H]21 72410763 GLUNVQBXWSQOSZ-MSOLQXFVSA-N 360.483 0.844 0 50 FCAA O=C([C@H]1NCCc2[nH]cnc21)N1CCc2nnc(-c3ccccc3)n2CC1 72419245 HSWAKCPWKGJSLL-KRWDZBQOSA-N 363.425 0.940 0 50 FCAA CS(=O)(=O)NCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 72433333 YIGZDZXEMNNKOE-MRXNPFEDSA-N 353.488 0.749 0 50 FCAA CCN1CCN(CCN2CC3(CCN([C@@H](C)CCO)CC3)OC2=O)CC1 72473096 WCBSKZUMKVBTKV-KRWDZBQOSA-N 368.522 0.682 0 50 FCAA COc1ccc(N2CCN(C(=O)CCCS(N)(=O)=O)[C@H](C)C2=O)cc1 77406269 GPXVRTWEAPFHDK-GFCCVEGCSA-N 369.443 0.328 0 50 FCAA CCOCC(=O)N1CCc2cc(S(=O)(=O)NCC[C@H](C)O)ccc2C1 77406551 FMBUIYXXILCIBW-ZDUSSCGKSA-N 370.471 0.657 0 50 FCAA COc1ccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77428756 VDYRIHLAJOXGCS-JKSUJKDBSA-N 367.471 0.660 0 50 FCAA Cc1ccc(CN2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 77488057 IOHVAPYRISSTKY-LSDHHAIUSA-N 371.528 0.428 0 50 FCAA COCC[C@@]1(CO)CCCN(c2cc(N)nc(N3CCOCC3)n2)C1 91986602 DYPMROUTFJFPBZ-KRWDZBQOSA-N 351.451 0.511 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N1CCc3ccccc31)C2 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O=S1(=O)CC[C@@H](S(=O)(=O)NCc2coc(-c3ccccc3)n2)C1 670447244 UUKUSIYJQOGXRI-CYBMUJFWSA-N 356.425 0.948 0 50 FCAA CCc1nc(S(=O)(=O)NN2C(=O)N[C@](C)(CC)C2=O)cn1CC1CC1 851785683 UPWSAUIMWFDFQV-OAHLLOKOSA-N 369.447 0.769 0 50 FCAA CO[C@H]1C[C@@H](CNC(=O)c2ccn(C)c(=O)c2)N(c2cc(C)ncn2)C1 952890675 GGYRWHFBDPSCRT-GJZGRUSLSA-N 357.414 0.507 0 50 FCAA CN(CCC(=O)N1CCCc2ccccc21)[C@@H]1CS(=O)(=O)C[C@H]1O 1529152615 NALWMSKSBWIKFQ-HZPDHXFCSA-N 352.456 0.446 0 50 FCAA COCCn1cnnc1CN(C)c1c(C(=O)O)cnc2c1c(C)nn2C 1529154144 YCJBYSCMNLPRGF-UHFFFAOYSA-N 359.390 0.849 0 50 FCAA CC(=O)N[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1c1ccc(C)cc1 1565525510 IMSWDABUZBPAIR-CVEARBPZSA-N 370.409 0.388 0 50 FCAA Cc1sc2ncnc(N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c2c1C 1616078312 CLCIKLZXOGBRBU-NEPJUHHUSA-N 370.500 0.997 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCc1cc(Cl)no1)C2 1704339739 KMVFSSVYBBWXDE-QWRGUYRKSA-N 357.794 0.504 0 50 FCAA CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(O)n1)C2 1772701429 MGDTZKSVOIPOTL-GJZGRUSLSA-N 371.441 0.977 0 50 FCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCCCCO)CC2=O)s1 1857718061 MCQPPPXYYHXQFA-NSHDSACASA-N 356.448 0.706 0 50 FCAA O=C1NCCCNCCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 1875241877 XINANAOTTCDSDD-YYFZDKIDSA-N 354.454 0.822 0 50 FCAA Cc1nc(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)c2)no1 1875244898 ZPDCCSWYWBCBJX-CABCVRRESA-N 356.382 0.974 0 50 FCAA CCn1nc2c(c1C(=O)N1CCN(CC(=O)NC)CC1)C[C@H](C)O[C@@H]2C 1875314377 VFRFLHDFNDTGCK-QWHCGFSZSA-N 363.462 0.429 0 50 FCAA Cc1nc(C(=O)N2CC(C)(C)OC3(CNC3)C2)nc(N2CC[C@@H](N)C2)c1C 1875402035 ZENVBQWTZVCCOC-CQSZACIVSA-N 374.489 0.224 0 50 FCAA CO[C@@H]1COC[C@H]1n1cc(C(=O)NCC2CC(O)(C(F)(F)F)C2)nn1 2325803800 BXVPTRHTERIZGD-RGUZAKKISA-N 364.324 0.298 0 50 FCAA CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O 597502 OEHFRZLKGRKFAS-UHFFFAOYSA-N 357.347 0.991 0 50 FCAA in-man CC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 787330 CBLUJCSWJCKVQO-UHFFFAOYSA-N 355.354 0.275 0 50 FCAA biogenic Cc1cc(N)n(CC(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1 12592094 WQVJZHJZEOUSDN-HNNXBMFYSA-N 359.405 0.873 0 50 FCAA O=C(NCCCCCN1CCOCC1)c1cn(C[C@@H]2CCCO2)nn1 20450722 APANUVMNOXTJCE-HNNXBMFYSA-N 351.451 0.689 0 50 FCAA COc1cccc(NC(=O)N2CCC[C@@](O)(CNS(C)(=O)=O)CC2)c1 72140485 KMMCEIJHOXWTPT-INIZCTEOSA-N 371.459 0.993 0 50 FCAA CC[C@@H](O)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 77427284 YMTMBZYGLYBUGQ-MRXNPFEDSA-N 368.455 0.363 0 50 FCAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 77486309 NGNWXSZPUJWCLH-HNNXBMFYSA-N 357.410 0.979 0 50 FCAA COCc1ncc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cn1 77521635 XTJBZXLHPUOBTR-HZPDHXFCSA-N 357.414 0.383 0 50 FCAA Cc1nn(C)cc1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82115437 DIDBMSGHAVHARF-UHFFFAOYSA-N 366.447 0.020 0 50 FCAA C[C@H](O)[C@@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91563084 OBGDZWUVXDMSDZ-MAUKXSAKSA-N 374.485 0.563 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CO)CN1Cc1[nH]c2ccc(C)cc2c1C 92028610 JZSNLEAGVGHHNK-KSSFIOAISA-N 372.469 0.972 0 50 FCAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(C(=O)c2nc[nH]n2)CC1 95512856 OTLXZYWXOXUJCA-UHFFFAOYSA-N 358.358 0.566 0 50 FCAA COc1ccccc1-n1nc(CC(N)=O)nc1[C@@H]1CCCCn2nnnc21 96139623 RDWUVCDWBNKUDO-NSHDSACASA-N 368.401 0.606 0 50 FCAA Cc1ccccc1CCNC(=O)[C@@H](C)Nc1cnn(CC(=O)NCCO)c1 186330713 IVVAJZGGOIPHDL-OAHLLOKOSA-N 373.457 0.459 0 50 FCAA Cc1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)c(=O)n(C)c1C 215018394 UMNKUDGJRALHET-UHFFFAOYSA-N 362.474 0.092 0 50 FCAA NCCCN1C(=O)CC[C@@H]2CN(C(=O)Cc3ccc(CO)cc3)CC[C@@H]21 215414762 XNEZQZXXHWBJRV-MSOLQXFVSA-N 359.470 0.910 0 50 FCAA CC(C)NC(=O)CCN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1 218824060 QAIYBZAUZAKUPN-SFHVURJKSA-N 360.462 0.819 0 50 FCAA Cc1nc(N)ncc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 219759013 QGSCPLWYPSXESS-HZPDHXFCSA-N 358.398 0.826 0 50 FCAA CN1CCCN(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1 223827271 LNSIMADBLORHHU-OAHLLOKOSA-N 360.487 0.963 0 50 FCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)C1 244633352 GBKZDUCRLNENEY-AOOOYVTPSA-N 370.360 0.684 0 50 FCAA O=C(COc1ccc2nncn2n1)N1CCCN(Cc2ccccn2)CC1 244773992 PKIAMQCHWCTGCM-UHFFFAOYSA-N 367.413 0.633 0 50 FCAA O=C(c1cnc(O)cn1)N1C[C@@H]2OC(=O)N(CCc3ccccn3)[C@@H]2C1 247904692 LNLZTUIVKWSXFR-KGLIPLIRSA-N 355.354 0.465 0 50 FCAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 263027241 YZBWTUVDFQHCAA-UHFFFAOYSA-N 374.397 0.262 0 50 FCAA CN1CCN(c2cc(N3CC[C@@](CO)(c4ccccc4)C3)ncn2)CC1=O 292312100 LXXOZNUFEDAGAR-HXUWFJFHSA-N 367.453 0.895 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc3ccccc3n2C)[C@H](O)C1 299786068 MRDJLOLGHNEAMY-RHSMWYFYSA-N 358.442 0.432 0 50 FCAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cnc(C(C)C)[nH]3)C2)n1 328609939 GDUQZPREPSHIGS-CQSZACIVSA-N 355.420 0.761 0 50 FCAA C[C@H](CN1CCOCC1)N(C)S(=O)(=O)c1cnn(CC(F)F)c1 331184778 IRGHDWQILZPKNK-LLVKDONJSA-N 352.407 0.489 0 50 FCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)[C@H](O)C2CCC2)C[C@H]1C(F)(F)F 331741450 AUSVRKIAOJCXKP-GMTAPVOTSA-N 358.382 0.428 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H](Cc1ccccc1)n1cnnn1)C2 426555677 SSBHZONJBRYVBN-INIZCTEOSA-N 365.397 0.401 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C(=O)N(C)C)o2)C1 534631835 ZGSIRDULTTZTOY-GFCCVEGCSA-N 359.448 0.674 0 50 FCAA CN(C)c1noc(COC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 801314075 CJNQTUHVIDUHBL-STQMWFEESA-N 364.402 0.620 0 50 FCAA COc1cccc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1F 886096404 DXJXUPOMVYGXPB-KRWDZBQOSA-N 351.378 0.237 0 50 FCAA COc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O 952978919 YRGNGUFJDLUKFK-NXEZZACHSA-N 369.848 0.127 0 50 FCAA O=C1COC2(CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)CN1 1177330052 WMAHGFODBFOVQR-NSHDSACASA-N 364.427 0.004 0 50 FCAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(CC(F)(F)F)CC1 1506411256 XQOYIDJCZAAHQL-LBPRGKRZSA-N 350.385 0.292 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1O 1529114616 QXTGGOOHCKLBLL-IUCAKERBSA-N 354.354 0.184 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@H]2O)n[nH]1 1704326351 WDDIUBPFDNUQGV-RHSMWYFYSA-N 369.425 0.923 0 50 FCAA CCOc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc1C 1704352963 HLUHJLOVVUJRJJ-KGLIPLIRSA-N 368.455 0.871 0 50 FCAA O=C(NC1CC1)[C@H]1CC[C@H]2OCCN(C(=O)CCn3ccccc3=O)[C@@H]2C1 1940196539 RDZNBENYAROHFY-USXIJHARSA-N 373.453 0.913 0 50 FCAA Cc1nccc(N2CCN(Cc3nn(C)nc3Br)CC2)n1 2325801275 ABKTYUDCSUALHX-UHFFFAOYSA-N 352.240 0.998 0 50 FCAA COc1ccc([C@@H]2[C@H](C(=O)N3[C@H]4CC[C@H]3C(=O)NC4)CC(=O)N2C)cc1 2325818933 HDHQWJWXYUGGNW-PWXKEOIMSA-N 357.410 0.704 0 50 FCAA O=S1(=O)CC[C@H](n2nc(-c3ccoc3)nc2C[C@@H]2COC[C@H]2O)C1 2325849615 VMGXCIFFIPSYSA-FRRDWIJNSA-N 353.400 0.448 0 50 FCAA CC1=C(C(=O)NC[C@H]2CN(C(=O)CN3CCOC3=O)CCO2)CCC1 2325860606 NDNWZWXYAWOXQW-ZDUSSCGKSA-N 351.403 0.283 0 50 FCAA CN1N=C(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)CCC1=O 12595422 XMHZEDRYTQFBJA-CQSZACIVSA-N 354.410 0.479 0 50 FCAA CCCCn1c(CN2CCN(CCO)CC2)cnc1S(=O)(=O)CC 20210480 MBNVLQILIDMYBJ-UHFFFAOYSA-N 358.508 0.587 0 50 FCAA CCCCS(=O)(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 38670406 OHKHNAMJFXJKTG-UHFFFAOYSA-N 350.448 0.914 0 50 FCAA O=C(Cn1cncn1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71707887 ZIGXPFFJUUFIJC-INIZCTEOSA-N 374.489 0.604 0 50 FCAA Cc1cccc(CN2CCN(C(=O)CN3CCCC3=O)C[C@H]2CCO)n1 72410615 SINVOEUVZCSMGG-QGZVFWFLSA-N 360.458 0.408 0 50 FCAA Cc1nc(C(=O)N2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77440087 WTHUUHVMTPYJEG-NWDGAFQWSA-N 372.472 0.057 0 50 FCAA CCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cnc(N(C)C)nc1C 82109273 JIPGUDFMNLVKKJ-RYUDHWBXSA-N 373.454 0.343 0 50 FCAA CCc1nc(C)c(CC(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c(=O)[nH]1 95366561 JXNAQGWSDVVLPW-DOMZBBRYSA-N 360.414 0.854 0 50 FCAA Cc1nc(N(C)C)ncc1C(=O)N1CCC(c2nccn2CC(N)=O)CC1 95500148 PELWUFDTLMRREE-UHFFFAOYSA-N 371.445 0.553 0 50 FCAA CCOCC(=O)N[C@H]1C[C@@H](C(=O)N(CC)CC)N(Cc2nc(C)c[nH]2)C1 96133691 CXEIVKVNWAZYOE-GJZGRUSLSA-N 365.478 0.682 0 50 FCAA O=C(Cc1cccnc1)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96166747 IHWGDNVONBGUAJ-KXBFYZLASA-N 357.410 0.796 0 50 FCAA Cc1[nH]c(=O)c(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c(C)c1Cl 97660573 FOTWWTDJXWPFQN-LLVKDONJSA-N 354.838 0.572 0 50 FCAA O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCN(CCCO)CC1 187721883 WFEDUCPXSKKZGN-UHFFFAOYSA-N 362.455 0.832 0 50 FCAA O=C(N[C@H]1CCN(C(=O)CCc2cccnc2)C[C@@H]1O)c1cnccn1 216289969 PXLWTRVRBMWDFZ-HOCLYGCPSA-N 355.398 0.196 0 50 FCAA C[C@@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)N1C(=O)c2cccc3cccc1c23 221189570 ZJTYSOBBHHPFCI-JTQLQIEISA-N 364.361 0.882 0 50 FCAA Cn1nc2n(c1=O)C[C@H](C(=O)NCCc1nc3c(s1)CCCC3)CC2 222382027 RXRIVUFBNXOLFP-LLVKDONJSA-N 361.471 0.838 0 50 FCAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NCC2(N3CCOCC3)CC2)c1 277508572 NBYMRQQIHYAZAC-UHFFFAOYSA-N 372.418 0.975 0 50 FCAA Cc1nc([C@H]2CCCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)no1 299802680 NHUGYLWWBSGXSV-HNNXBMFYSA-N 371.445 0.696 0 50 FCAA Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 332545961 MSAFBPGQQHNICX-UHFFFAOYSA-N 354.410 0.616 0 50 FCAA CN(Cc1nnc2n1CCOC2)C[C@@]1(O)CCN(Cc2ccccc2)C1 366622452 APBCYBCEYJFGDY-IBGZPJMESA-N 357.458 0.877 0 50 FCAA O=C1CN(CC(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)C(=O)N1 372243617 XVIQLYJTEPUANB-ZDUSSCGKSA-N 355.398 0.827 0 50 FCAA CO[C@@H]1[C@@H](O)[C@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21 584567016 JAKAFSGZUXCHLF-HVOFVXBASA-N 363.418 0.837 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1 670473507 GIXOKBRKLUUQNP-ZDUSSCGKSA-N 355.416 0.536 0 50 FCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1ccc(F)c(F)c1F 818368151 NVYWRESVJULDEK-SNVBAGLBSA-N 353.304 0.774 0 50 FCAA O=C(N[C@H]1C[C@H](O)c2ccccc21)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 862189979 HKYJZVFIWIVBDU-LUKYLMHMSA-N 360.410 0.687 0 50 FCAA O=C(CN1CCOC1=O)NC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 952973516 OGEOVICLAPPLLN-LBPRGKRZSA-N 358.402 0.743 0 50 FCAA COc1cc(OC)cc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c1 1704336843 RZMSBLUYNZKWPP-JSGCOSHPSA-N 364.398 0.561 0 50 FCAA COc1nc2ccccc2nc1CCC(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772804882 DLIVUDRPQBDTIA-IBGZPJMESA-N 370.409 0.689 0 50 FCAA NS(=O)(=O)CCCC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857692607 MGAYCPRVACRIKA-HRCADAONSA-N 367.471 0.386 0 50 FCAA 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0.883 0 50 FCAA CC(C)NS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 285486248 DHYPUUVBOJXIHT-UHFFFAOYSA-N 353.370 0.860 0 50 FCAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc3c(c1)C(O)=NCC3)C2 328628939 OFHJZWPXELMHPU-UHFFFAOYSA-N 374.422 0.388 0 50 FCAA CC1(C)NC(=O)N(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1=O 363329049 YNNXTFWHUHUOEX-UHFFFAOYSA-N 372.425 0.738 0 50 FCAA CN1CCC[C@H]1C(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 363999178 MIOHTSRVIDNUQL-HNNXBMFYSA-N 360.462 0.056 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1ncon1 426651941 BGDMZOXUHBXOAF-INIZCTEOSA-N 371.441 0.770 0 50 FCAA Cc1cc(NC(=O)CN2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)n(C)n1 864328925 OGJBXYDPCGDCMD-LBPRGKRZSA-N 359.434 0.718 0 50 FCAA COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccn(Cc2ccncc2)n1 912527300 VFHUQYUWSPVOTJ-UHFFFAOYSA-N 362.371 0.637 0 50 FCAA CN1C(=O)NCC12CN(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 1857677070 QCDPOHPOSUBOHQ-UHFFFAOYSA-N 358.398 0.009 0 50 FCAA NC(=O)c1ccccc1OCC(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857715220 HLRRAGLBUKDSKV-KDOFPFPSSA-N 359.382 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KKALLYKOIPUVAD-CABCVRRESA-N 373.438 0.092 0 50 FCAA Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)cn1 91364445 QPYVGSZOYWQNCE-QWHCGFSZSA-N 353.448 0.128 0 50 FCAA Cc1cccc(CN2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2=O)c1 91445277 KRGLUEVQDKGRIR-CQSZACIVSA-N 358.398 0.154 0 50 FCAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 91475885 QFUWBLMKTDXNLD-QWHCGFSZSA-N 360.414 0.103 0 50 FCAA CN(CC(=O)N1CCC2(CC1)[C@@H](OCCN)C[C@H]2O)Cc1ccncc1 91593986 ZYPVNQMIRBLPJD-SJORKVTESA-N 362.474 0.231 0 50 FCAA COCCN(Cc1cnn(C)c1)C(=O)CN1CCN(c2ncccn2)CC1 95376934 SNQCKNAKWDUJJM-UHFFFAOYSA-N 373.461 0.007 0 50 FCAA CCOC(=O)N1CCN([C@H](C(=O)O)c2ccc(OC)nc2OC)CC1 95378526 IFRALYGRQKSUIV-ZDUSSCGKSA-N 353.375 0.999 0 50 FCAA COC(=O)c1ccc2c(c1)n(Cc1noc(C(N)=O)n1)c(=O)n2CC1CC1 95381920 YJOGYGXMOVWWBD-UHFFFAOYSA-N 371.353 0.530 0 50 FCAA O=C(NCCN1CCNCC1)c1c(O)c2cccc3c2n(c1=O)CCC3 100001731 XEDHFBIOENXGDT-UHFFFAOYSA-N 356.426 0.288 0 50 FCAA in-vitro CC(C)(C)c1ncc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)s1 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CN(C)CCN(C)[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 72165753 ZVXJYBNATDFQBB-HNNXBMFYSA-N 368.503 0.432 0 50 FCAA Cn1nccc1C(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72421733 PABCRNSXSIBIEB-SJORKVTESA-N 374.466 0.544 0 50 FCAA O=C(Cn1ccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CCNCC2)C1 72447879 JQQHMGKJCOETTB-DLBZAZTESA-N 359.474 0.722 0 50 FCAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C 72475764 USJZOKSBPFHUHK-KRWDZBQOSA-N 371.485 0.567 0 50 FCAA N[C@H]1C[C@@H](C(=O)O)N(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1 77453145 QBWINPKRIHGWCG-CBAPKCEASA-N 367.711 0.533 0 50 FCAA C[C@@H]1CN(C(=O)CN2CCN(c3ncccn3)CC2)C[C@@]1(O)C1CCC1 91586669 GJDISDWBAFYFII-BEFAXECRSA-N 359.474 0.608 0 50 FCAA CN1CCN(S(=O)(=O)c2ccccc2F)C[C@]12CCNC(=O)CC2 91619906 VNEQFCQMQIWWGV-INIZCTEOSA-N 355.435 0.801 0 50 FCAA O=C(CC[C@H]1NC(=O)NC1=O)NCCc1csc(-c2ccncc2)n1 91690280 LKEKGEABYGGOHU-GFCCVEGCSA-N 359.411 0.852 0 50 FCAA O=C(NCc1cccnc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91713325 REUVESNJALIRLG-MRXNPFEDSA-N 358.442 0.949 0 50 FCAA CCc1ccc(-n2cnnc2)cc1NC(=O)NCCS(=O)(=O)N(C)C 96131538 QFHRMDPCTJAFRB-UHFFFAOYSA-N 366.447 0.843 0 50 FCAA Cc1ccc2nc(COCC(=O)NCCN3CCC[C@@H](C(N)=O)C3)[nH]c2c1 97694917 GJRUFPHRVKYAOB-CQSZACIVSA-N 373.457 0.701 0 50 FCAA c1ccc(-c2ncc(CN3CCN(CCn4cncn4)CC3)cn2)nc1 215991620 FCLGLEOCHSXACL-UHFFFAOYSA-N 350.430 0.948 0 50 FCAA CCO[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)C[C@@H]1O 220749271 IWTBWDJCTZMVKT-KBPBESRZSA-N 360.407 0.021 0 50 FCAA COCCn1nnnc1[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCO1 244748851 OPNZOWXWZUXLCP-INIZCTEOSA-N 372.429 0.282 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(CCn3cc(Cl)cn3)C[C@H]2C1 247854154 SPLTVQITCPVRFO-BBRMVZONSA-N 356.854 0.468 0 50 FCAA CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2=CCNCC2)cc1F 262777445 OCDHZVIYZYNHLJ-UHFFFAOYSA-N 363.436 0.395 0 50 FCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](c3nccs3)C2)C1=O 264734559 IYHBRXLQZRNWPX-MEDUHNTESA-N 364.427 0.764 0 50 FCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)C1=O 275313430 ODTTVSCMKYOVIU-OLZOCXBDSA-N 356.448 0.354 0 50 FCAA CCN(C)c1ccnc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)n1 299779933 HMHGVRKWWFJPLP-UHFFFAOYSA-N 365.463 0.199 0 50 FCAA O=C1CC[C@H](N2CCOC3(CCN(Cc4cncnc4)CC3)C2)CCN1 828305209 CDLVDJKINHOFLN-KRWDZBQOSA-N 359.474 0.812 0 50 FCAA CO[C@@H]1CN(C(=O)c2c(C)nc3ccnn3c2C)C[C@H]1c1cn(C)nn1 886078157 OGPPTCROEBJTQR-GXTWGEPZSA-N 355.402 0.729 0 50 FCAA O=C(CN1CCCC1=O)N1CCCN(C(=O)[C@H](O)C2CCCCC2)CC1 1529099959 JMMNWCVNXPWLEZ-GOSISDBHSA-N 365.474 0.611 0 50 FCAA Cc1cccc2nc(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)cn12 1704310048 OCRIZWGPDNNKDM-KBPBESRZSA-N 358.398 0.500 0 50 FCAA O=C(CN1CCCN(C(=O)[C@H]2CCOC2)CC1)NCc1cccs1 1772710518 BDPUABHIMVVDEG-AWEZNQCLSA-N 351.472 0.935 0 50 FCAA Cc1nc(O)cc(CN2C[C@@H]3CN(Cc4nccn4C)C[C@]3(CO)C2)n1 1772815460 RZACJOAFUWGIIU-KDOFPFPSSA-N 358.446 0.150 0 50 FCAA O=C(N[C@H](Cc1cn(Cc2cccs2)nn1)C(=O)O)[C@@H]1CCOC1 1875325309 VNQMHTJZJDXJNZ-ZWNOBZJWSA-N 350.400 0.536 0 50 FCAA O=C(CN1CCCC1=O)NCC1(CCNC(=O)[C@@]2(F)CCOC2)CC1 1875331342 GAWAPDTUBQSBQR-QGZVFWFLSA-N 355.410 0.140 0 50 FCAA O=C1CC[C@@](CC(=O)N[C@@H]2CNC[C@@H]2n2cccn2)(C(F)(F)F)CN1 1875404508 LDHZSHUZXLSPQW-SUNKGSAMSA-N 359.352 0.361 0 50 FCAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@H]1Nc1cc(C(N)=O)ncn1 1875405668 LOSXWRJMMLPLQR-OMRXRXQOSA-N 359.430 0.838 0 50 FCAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn12 2100539279 ATXCGLODCYQRQA-CYBMUJFWSA-N 352.416 0.289 0 50 FCAA CCOC(=O)c1c[nH]c(=NC)nc1Cn1cc(N=S(C)(C)=O)cn1 2325865862 SRBLZNLCFUPXMT-UHFFFAOYSA-N 352.420 0.721 0 50 FCAA CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 6907185 VGVCTAXLJZOGTJ-UONOGXRCSA-N 359.382 0.963 0 50 FCAA biogenic COCc1cc(CN2CCN3C(=O)[C@H]4CCCN4C(=O)[C@H]3C2)ccc1OC 14536197 GXUMFTOOABKDIQ-IAGOWNOFSA-N 373.453 0.859 0 50 FCAA O=C(NCCCCCN1CCOCC1)c1cn(C[C@H]2CCCO2)nn1 20450724 APANUVMNOXTJCE-OAHLLOKOSA-N 351.451 0.689 0 50 FCAA CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 65365029 JWLYPRLPZGPVDQ-LBPRGKRZSA-N 369.443 0.665 0 50 FCAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)c2)n1 65394178 NZKPRLFBAROAGY-GOSISDBHSA-N 367.453 0.804 0 50 FCAA O=C1COc2ccc(S(=O)(=O)N3CC[C@@]4(CCCNC4)C3)cc2N1 67433033 NWNPYJNITJGPOX-MRXNPFEDSA-N 351.428 0.782 0 50 FCAA CNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 67788817 NSWGIHQAZWFDCZ-KRWDZBQOSA-N 355.385 0.496 0 50 FCAA Cc1cnn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)c1 71749307 IDNQACBKHVNDPF-UHFFFAOYSA-N 351.384 0.900 0 50 FCAA CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1C[C@H]1CCCO1 71932713 KNICYLBMAWXPRM-CQSZACIVSA-N 370.475 0.178 0 50 FCAA CCC(=O)N1CCN(C(=O)c2cc(C3CC3)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72431039 BXBYZJOWRZBKNP-KGLIPLIRSA-N 366.443 0.147 0 50 FCAA Cn1ncc(N2CCC(CNc3cc(NCCO)ncn3)CC2)cc1=O 77538766 QOCRJYGTMYWVRR-UHFFFAOYSA-N 359.434 0.303 0 50 FCAA Cc1cccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)n1 82157680 GGNAKJNMJBTBCK-UHFFFAOYSA-N 363.443 0.682 0 50 FCAA O=S(=O)(N1CCOCC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 90445798 MFQRXUXFHQGHCN-UHFFFAOYSA-N 365.459 0.258 0 50 FCAA Cc1nccn1Cc1nnc(C2CCN(S(=O)(=O)N(C)C)CC2)n1C 91459726 JZDUOHFCYVRTHN-UHFFFAOYSA-N 367.479 0.354 0 50 FCAA CN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@@]12CCNC(=O)CC2 91604963 LLIIIBCMSDJCJP-GOSISDBHSA-N 359.430 0.074 0 50 FCAA Cc1ccn(CCNS(=O)(=O)c2ccc(C(=O)NC[C@@H](C)O)cc2)n1 91794071 DVTFPOKNEFIZRQ-CYBMUJFWSA-N 366.443 0.281 0 50 FCAA O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)C1CCN(C(=O)C2CCCC2)CC1 95521391 USGCLMSTELTFFR-OAHLLOKOSA-N 362.430 0.950 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2)CN1Cc1cccnc1 96138513 IJEBOFMQHAMEDG-IRXDYDNUSA-N 368.441 0.689 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1ccnc1C 215317065 FDZFPUHMWXSYCR-UHFFFAOYSA-N 352.416 0.668 0 50 FCAA CO[C@@H]1CCOC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(F)c(C)c1 219534389 SWEHRBMAGUFTPA-ZIAGYGMSSA-N 360.407 0.333 0 50 FCAA O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[C@@H](O)CN1 238011935 SNELLBPHURRSPY-OWCLPIDISA-N 353.850 0.552 0 50 FCAA Cc1nc(NC(=O)CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)sc1C(=O)O 244708328 KRSKCOUJYBVJPB-ZJUUUORDSA-N 352.416 0.689 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2cncn2)cc1 244795046 QYPXKTFYSMANRN-INIZCTEOSA-N 356.430 0.093 0 50 FCAA CCc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCc4ncnn4C3)C2)ncn1 247110631 VQXUNMTZXOZBRX-GJZGRUSLSA-N 370.461 0.914 0 50 FCAA O=C(Cn1cc(C(=O)O)nn1)Nc1cccc(-c2nnnn2C2CC2)c1 263321020 IXIBPVGZKQPVMW-UHFFFAOYSA-N 354.330 0.603 0 50 FCAA COCCn1ccc(=O)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1C 263585258 GUAZEWXSBIYOBA-UHFFFAOYSA-N 359.382 0.920 0 50 FCAA biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 269626055 VEMVEAOXXXKPNA-ZDUSSCGKSA-N 367.427 0.252 0 50 FCAA Nc1nnc(SCC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)s1 299786878 OCNWGWQQYUKJAD-DTWKUNHWSA-N 353.433 0.176 0 50 FCAA COCc1noc(CN2CC[C@]3(OC)CC[C@H](OCC(=O)O)C[C@H]23)n1 299797584 OSIYVAWYDXNABP-MQIPJXDCSA-N 355.391 0.829 0 50 FCAA Cc1ccn(C)c(=O)c1NC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 333188089 UVOOYWSICWWUQZ-ZDUSSCGKSA-N 367.413 1.455 0 50 FCAA COc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 368873773 ZDVCNFHEPNWPGI-AWEZNQCLSA-N 360.414 0.057 0 50 FCAA C[C@@H]1NCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 422952460 CLJXAIJBJUICJS-HOTGVXAUSA-N 372.535 0.640 0 50 FCAA CN(Cc1ccc2nonc2c1)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 426518917 FEOHNGUMMZPTNX-CQSZACIVSA-N 374.445 0.952 0 50 FCAA CSCC[C@H](NC(=O)N1CCC(c2nnc(CO)n2C)CC1)C(=O)O 670471431 LAPFZWGELVLOQD-NSHDSACASA-N 371.463 0.403 0 50 FCAA C[C@H](C(=O)N1CCCN(c2ncc(F)cn2)CC1)N1CCN(C)CC1 1772810820 MKRKWTKLOJNSIC-CQSZACIVSA-N 350.442 0.290 0 50 FCAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]12)c1ccoc1 1857682280 IFIUCJJXECNNNL-YUTCNCBUSA-N 363.395 0.275 0 50 FCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCCCc3cccnc3)C[C@@H]12 1857713589 RGOLTWSDUAUGTN-BBWFWOEESA-N 365.499 0.980 0 50 FCAA O=C(CCn1ccc(O)nc1=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857720845 NDQBOZXVMMYQNT-YOEHRIQHSA-N 359.382 0.300 0 50 FCAA CNC(=O)Cc1nc(-c2cn3c(n2)CCNCC3)n(CC(F)(F)F)n1 1857736771 VAXOGZKDEOJJMM-UHFFFAOYSA-N 357.340 0.138 0 50 FCAA CCOC(=O)[C@H]1CN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)CCO1 1875260133 KCKLQTQQARXXAP-OAHLLOKOSA-N 374.393 0.772 0 50 FCAA O=C([C@H]1CCc2nc(C(F)(F)F)cn2C1)N1CCNS(=O)(=O)CC1 1875299141 AKYVMEVLGJBDCX-VIFPVBQESA-N 366.365 0.226 0 50 FCAA CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3cc(O)nn3C)C2)ccn1 1875318287 NDMMIEXGFJJUMW-LBPRGKRZSA-N 359.386 0.564 0 50 FCAA CCOCC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 1875322581 XKDFAFJEOWKKBD-HUUCEWRRSA-N 363.462 0.779 0 50 FCAA CC1=NO[C@H](C(=O)NC2CN(C(=O)Cc3cnc4c(C)cccn34)C2)C1 1875326232 NJRSVDJUECKHHI-HNNXBMFYSA-N 355.398 0.677 0 50 FCAA C=CC(=O)N1CCN(C(=O)c2nnn(Cc3cc(C)on3)c2C)[C@@H](C)C1 1875381536 YBLMXGRTQGSBQI-NSHDSACASA-N 358.402 0.790 0 50 FCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)c3cnn(C)n3)C2)c1C 1875397903 SRNDPHYNVTXGBJ-ZIAGYGMSSA-N 372.477 0.853 0 50 FCAA C[C@]1(F)CN(C(=O)[C@@H]2C[C@@H]2F)CCN(C(=O)C2(n3ccnn3)CC2)C1 1875405173 WSGUTYMVMHVFRT-XUJVJEKNSA-N 353.373 0.524 0 50 FCAA Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2=O)c(F)c1 2325724054 LSCCKIJOWLSVOW-NWDGAFQWSA-N 352.387 0.914 0 50 FCAA O=C1NCCO[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc4c3=O)[C@@H]12 2325804934 DRIXKBYYRQGJAE-DOTOQJQBSA-N 355.394 0.577 0 50 FCAA COCCn1c2c(=O)nc(O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10967640 LVLIIAHLKDQTEW-UHFFFAOYSA-N 358.333 0.936 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4ccccc4C2)[C@H]3C1=O 77342855 RQVLMTMPQKXDQW-NTLWEQJWSA-N 368.433 1.000 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccccn2)[C@@H]3C1=O 77387425 WYFMYZUGOHTABO-LJCCNALRSA-N 371.437 0.859 0 50 FCAA Nc1ncccc1CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1 91254797 XJLULTHUQFMLIF-UHFFFAOYSA-N 370.457 0.668 0 50 FCAA CC(C)NC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 91270253 PIQPWUULCMUJJK-UHFFFAOYSA-N 363.510 0.860 0 50 FCAA CNc1cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)ccn1 92096890 CCEJHEHCOUZFPV-YALNPMBYSA-N 362.474 0.913 0 50 FCAA CC(C)S(=O)(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 95360913 XAXMQKUKYISMMR-CYBMUJFWSA-N 352.464 0.978 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CN1Cc1ccc(C)o1 95521843 QMXYTHIUEVKGCG-ZBFHGGJFSA-N 359.430 0.680 0 50 FCAA O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)cc2o1 219361674 HVWFQCPPSGVPNY-KGLIPLIRSA-N 368.411 0.984 0 50 FCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@@H]2N)CC1 237343302 ARYTWHSUCGUCPP-KBPBESRZSA-N 366.487 0.371 0 50 FCAA COCCn1nnnc1[C@H]1CN(Cc2noc(-c3ccco3)n2)CCO1 243932459 BVNMXWWGYCATKR-GFCCVEGCSA-N 361.362 0.536 0 50 FCAA CN(C)C(=O)COC[C@@H]1CN(c2cccc(C(=O)O)n2)CC(C)(C)O1 263418213 ONOMFAULCRWQGC-LBPRGKRZSA-N 351.403 0.868 0 50 FCAA Cc1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)sc1Cl 276445729 MRLKWNNOCAGNBT-QMMMGPOBSA-N 366.848 0.921 0 50 FCAA O=C1NCCN2CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C[C@H]12 299783956 RKVUNVNTHHJTDA-CQSZACIVSA-N 370.413 0.097 0 50 FCAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCNS(=O)(=O)c1ccccc1 375494247 KLKBUQHRHNPVRB-BJJXKVORSA-N 365.455 0.467 0 50 FCAA CCC1(CC)CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC[S@@]1=O 408017312 LZSMFWYJOJDZKS-GTJPDFRWSA-N 350.506 0.848 0 50 FCAA N=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 826823236 CPRUNBNUWNAWNH-CYBMUJFWSA-N 354.451 0.907 0 50 FCAA Cc1c[nH]ccc1=NCCNC(=O)Cc1ccc(-n2nnnc2C)cc1 827848507 WAVMUDUUNBUPTL-UHFFFAOYSA-N 351.414 0.867 0 50 FCAA CCN1CCO[C@@H](CNC(=O)Cn2ccccc2=O)[C@@H]1c1cncn1C 952852918 PLDWZAUAVBUFBR-YJBOKZPZSA-N 359.430 0.160 0 50 FCAA O=C(c1cnn[nH]1)N1CCCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1529189787 YHJZOMIBUQUAEN-OAHLLOKOSA-N 357.370 0.319 0 50 FCAA O=C1CN(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)CCN1 1565511199 RNJXBDXCPKJCPJ-AEFFLSMTSA-N 374.460 0.680 0 50 FCAA CCc1c(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)[nH]c2ccccc12 1565527593 IYXNJHLGSNKAKH-IRXDYDNUSA-N 372.469 0.984 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1nnc(CCc3ccco3)n1C)C2 1775959838 BAEHPJYSAFUECH-ACJLOTCBSA-N 359.430 0.782 0 50 FCAA CN1CCN(c2cc(C(=O)N3CCOCC3)ccn2)CC12CCOCC2 1775982550 RPLWPYREXPRUGV-UHFFFAOYSA-N 360.458 0.855 0 50 FCAA O=C(NCc1nc(O)n[nH]1)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857708418 SVHLHJBKWKPWJI-QMMMGPOBSA-N 358.383 0.789 0 50 FCAA 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FCAA CN1C(=O)[C@@H](CC(=O)Nc2ccccc2CN2CCOCC2)N(C)C1=O 828075093 JBGGVZQHQFVRLT-OAHLLOKOSA-N 360.414 0.740 0 50 FCAA O=C(c1cnc(O)[nH]1)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 828137148 YOSJSQVFKFYGOT-UHFFFAOYSA-N 360.370 0.856 0 50 FCAA CN(C[C@H]1CCCN(CCO)C1)S(=O)(=O)c1ccccc1C(=O)O 1506418227 GFTTXPVSPOOKMM-CYBMUJFWSA-N 356.444 0.710 0 50 FCAA CN1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccc3nn[nH]c3c2)CC1 1529179144 VTLQLFXVIFEXKQ-INIZCTEOSA-N 356.430 0.727 0 50 FCAA Cc1noc(C)c1CC(=O)N1CCCN(Cc2nc(C(N)=O)no2)CC1 1772804941 FFMQFKTYYMGMKD-UHFFFAOYSA-N 362.390 0.050 0 50 FCAA Cc1cnc(CNC(=O)[C@@]23CC[C@@H](N4CCOCC4)C[C@H]2CCNC3)cn1 1857701643 XMKGTTYPETUHFR-YVWKXTFCSA-N 373.501 0.882 0 50 FCAA Cc1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cn1C 1875406300 BAKGDDCSQCMHFT-ZSHCYNCHSA-N 359.426 0.279 0 50 FCAA Cc1nn(C)cc1Cc1nc(CC(N)=O)nn1-c1cnc2ccccc2n1 2100482740 VQWOKXONYXHOQJ-UHFFFAOYSA-N 362.397 0.871 0 50 FCAA CC(C)(C)N1CCN(C2CN(C(=O)[C@H](O)[C@@H](O)c3ccccc3)C2)CC1 2325810169 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0.646 0 50 FCAA O=C1COc2ccc(S(=O)(=O)N3CCC(c4nc[nH]n4)CC3)cc2N1 751255226 NZIWKRIMURRRJH-UHFFFAOYSA-N 363.399 0.704 0 50 FCAA Cn1cccc(C(=O)N2CCCN(CC(=O)N3CCCCC3)CC2)c1=O 1529145470 KWRVSDNDTURHKB-UHFFFAOYSA-N 360.458 0.546 0 50 FCAA NC(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(CN2CCCC2)cc1 1565525854 XATSEIRXKAUQGX-IRXDYDNUSA-N 361.442 0.672 0 50 FCAA O=C(Cn1cccn1)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 1772704514 RQWAAIUNFIBAGB-OAHLLOKOSA-N 354.476 0.242 0 50 FCAA CC(C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)nc(=N)[nH]1 1857738880 CIMRVTVTKPVRBK-ILXRZTDVSA-N 363.462 0.042 0 50 FCAA C=CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC(=O)NC[C@@H]3O)cc1 1875370958 JWVKAPGCINHCSK-HNNXBMFYSA-N 357.410 0.914 0 50 FCAA Cc1cc(C(=O)N2CC3(C[C@@H](NC(=O)c4cnco4)CO3)C2)ncc1N 1875406800 MKLFDLMBTTWIEW-LLVKDONJSA-N 357.370 0.374 0 50 FCAA C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)n1cc(C[C@H](O)C2CC2)nn1 2325873928 ZDAONFHOQCBSBE-BONVTDFDSA-N 358.402 0.076 0 50 FCAA COC[C@@]12COC[C@@H]1CN(C(=O)C1(Cc3cccc(OC)c3)CNC1)C2 2356148302 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MRLAKWAYSAPDLQ-UHFFFAOYSA-N 354.388 0.296 0 50 FCAA Cn1nc(C(N)=O)c2c1CCN(C(=O)COCC(F)(F)C(F)F)C2 221164921 IFVXVHKQNFMGFR-UHFFFAOYSA-N 352.288 0.321 0 50 FCAA CN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H]2NCCC[C@@]2(CO)C1 248008784 BIEQJJMYBFHYJC-IRXDYDNUSA-N 353.488 0.800 0 50 FCAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2cnc(C(=O)O)cn2)C1 263475264 ZBMKCGJMCBKTPU-LLVKDONJSA-N 357.370 0.929 0 50 FCAA COc1cc(CC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1C 264168295 USNOWPIECDROJX-CYBMUJFWSA-N 368.455 0.308 0 50 FCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N(C)C2CCNCC2)ccc1OC 269137078 UJCWMKXZGLIXGM-FNORWQNLSA-N 367.471 0.827 0 50 FCAA C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 299738419 AOCDYZIKEIVLPI-KZNAEPCWSA-N 352.523 0.772 0 50 FCAA COc1ccc(C)cc1N1C[C@H](C(=O)N2CCOC[C@@H]2C(=O)O)CC1=O 299748283 GRKIKMKAXZHSJF-TZMCWYRMSA-N 362.382 0.669 0 50 FCAA CC1CCC(N2C[C@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)CC1 299751334 QKLMVQUBZLHPKD-SHARSMKWSA-N 353.463 0.888 0 50 FCAA Cn1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(O)nc1=O 299790499 CKPGBBLMHXGWSY-UHFFFAOYSA-N 354.370 0.548 0 50 FCAA COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 333856559 QPWSTGJUTBFHHJ-YCPHGPKFSA-N 374.441 0.573 0 50 FCAA C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC(n3cccn3)C2)C1=O 368397573 NWYBXVBBITYCPM-SFHVURJKSA-N 353.382 0.734 0 50 FCAA COc1ccc(C(=O)N2CCCN([C@@H](C)CO)CC2)cc1OCCO 373940975 YUNMIGYFTNBOMY-AWEZNQCLSA-N 352.431 0.595 0 50 FCAA Cc1nc(CCC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)n[nH]1 426502903 MLNYJFLETJPICM-HUUCEWRRSA-N 362.434 0.402 0 50 FCAA O=C(O)C[C@H]1C(=O)NCCN1C(=O)CCCc1nc(-c2cccnc2)no1 426685442 TUTQLXMLXOJOKJ-LBPRGKRZSA-N 373.369 0.256 0 50 FCAA NC(=O)NCC(=O)N1CCC[C@H](CNC(=O)CCOc2ccccc2)C1 952972158 MUBOROKQKMFGEC-CQSZACIVSA-N 362.430 0.479 0 50 FCAA CN(C)C(=O)c1cncc(N2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)n1 1076070778 QAVHLVJEJHFXLL-MNOVXSKESA-N 359.390 0.002 0 50 FCAA CNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)cn1 1506429722 ZDSQTQNKYJZARU-ZDUSSCGKSA-N 357.370 0.702 0 50 FCAA NC(=O)c1noc(CN2CCCN(C(=O)[C@@H]3CCc4ccccc43)CC2)n1 1529101341 DTCRKVYQMCGBNH-OAHLLOKOSA-N 369.425 0.933 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1O 1529172789 OMWHPSRYCHLCGX-KBPBESRZSA-N 366.443 0.421 0 50 FCAA CN1CCN(c2ccc(C(=O)N[C@H]3CCOC[C@@H]3OCCO)cc2)CC1 1565515394 YCEINMPGSSPFNY-ROUUACIJSA-N 363.458 0.335 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cnc3ccccc3n1)C2 1704324578 ARSYODIYIOIBNP-STQMWFEESA-N 356.382 0.487 0 50 FCAA COc1cc(C)nc(CN[C@@H]2CCN(Cc3cn(C)nc3C(N)=O)C2)c1 1775961896 HITYHOLIZLCDRV-CQSZACIVSA-N 358.446 0.595 0 50 FCAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)c4[nH]nnc4C)C[C@@]3(CO)C2)c(C)o1 1857673179 KRDOEJZSKPDDTR-FZKQIMNGSA-N 373.413 0.530 0 50 FCAA O=C(c1cccc(O)n1)N1C[C@@H]2C[C@@H](Nc3ccnc4ncnn34)[C@H]2C1 1875338877 OZMRKBZRACAVFP-GMXVVIOVSA-N 351.370 0.798 0 50 FCAA COCCOc1cc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)ccn1 1875403307 SLADVOKQAMCXGH-FVQBIDKESA-N 360.414 0.873 0 50 FCAA CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C(=O)O 2325895870 LKRUNMZIUICADS-STQMWFEESA-N 373.365 0.041 0 50 FCAA CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)CO3)nc(=N)[nH]1 2356160333 NKQZCPXBNFMIGI-KGLIPLIRSA-N 350.419 0.129 0 50 FCAA O=C(NCCN1CCOCC1)c1cc2c(s1)CCOC21CCNCC1 2356168941 IRLXTNAVIHLEKI-UHFFFAOYSA-N 365.499 0.962 0 50 FCAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 969817 JNDOIVKCAMWRMW-KRXQYRFLSA-N 366.366 0.787 0 50 FCAA Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 6401360 FTIRGUAIDQNKSA-UHFFFAOYSA-N 367.471 0.404 0 50 FCAA Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCO 8708905 WCXNAEHNJWCHLT-UHFFFAOYSA-N 367.409 0.693 0 50 FCAA Cn1ncc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc1=O 20777431 HRPGKDZJJMHWII-UHFFFAOYSA-N 356.382 0.400 0 50 FCAA CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 26463403 BBFJZZWRXVVKEC-WRQOLXDDSA-N 351.399 0.945 0 50 FCAA biogenic,in-vitro COc1cc2cc(CN3CCN(C)[C@@H](C(=O)O)C3)c(=O)[nH]c2cc1OC 71278844 KRHCCWZWAGYTIG-CQSZACIVSA-N 361.398 0.746 0 50 FCAA O=C(O)[C@H]1CN(c2ncccn2)CCN1C(=O)c1ccc2c(c1)OCO2 71388738 VRPVCQXRTXYMIJ-GFCCVEGCSA-N 356.338 0.621 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)c3cccc(CO)n3)cc2C1=O 71750770 DKBTXALYDAJRDS-UHFFFAOYSA-N 356.382 0.883 0 50 FCAA O=C(c1c[nH]c(=O)cn1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71754037 SUVHHCYNAHEVDS-UHFFFAOYSA-N 350.338 0.114 0 50 FCAA Cn1ncc2c(N[C@H]3C[C@H]4C(=O)NCC(=O)N4C3)nc(C3CCCC3)nc21 72134688 OLPXDUCERJKEGS-AAEUAGOBSA-N 369.429 0.532 0 50 FCAA O=C(C[C@@H]1COCCN1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 72165767 RNSMTKOESIXZKX-SECBINFHSA-N 365.381 0.584 0 50 FCAA CN(Cc1cc2n(n1)CCN(S(=O)(=O)N(C)C)C2)Cc1nccs1 72458620 KJTRQNZOGPDSRN-UHFFFAOYSA-N 370.504 0.594 0 50 FCAA CC(C)OCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77341848 OMYRJZZENGTTSS-UHFFFAOYSA-N 365.478 0.778 0 50 FCAA COc1cccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77389647 NDPGKUQEEYHOCK-JKSUJKDBSA-N 367.471 0.660 0 50 FCAA COc1ccc(N2CCN(C(=O)CCCS(N)(=O)=O)[C@@H](C)C2=O)cc1 77406270 GPXVRTWEAPFHDK-LBPRGKRZSA-N 369.443 0.328 0 50 FCAA COC(=O)N[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 82096447 SSXPCUGRSHELJS-NSHDSACASA-N 366.422 0.131 0 50 FCAA CN1C(=O)[C@H](CC(=O)N2CCN(CCOc3ccccc3)CC2)N(C)C1=O 91320344 OIOSVEMKCCGODE-INIZCTEOSA-N 374.441 0.492 0 50 FCAA CN(C[C@H](O)CO)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 91416521 VVTBTYYPHJIZCC-JTQLQIEISA-N 350.327 0.408 0 50 FCAA O=C(CN1C(=O)COc2cccnc21)N1CCCO[C@@H](Cn2cccn2)C1 95501002 OPUKYRKMDSGUCV-CQSZACIVSA-N 371.397 0.321 0 50 FCAA Cc1nnc2n1[C@@H](C)CN(C(=O)COc1ccc(-n3cnnn3)cc1)C2 96152610 RZPPCMQGORIOSP-NSHDSACASA-N 354.374 0.544 0 50 FCAA CN1CCN(C)[C@H](CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 97637868 CKTKYEQJZYRSSR-CQSZACIVSA-N 357.451 0.352 0 50 FCAA CN1CCN(Cc2ccc(C(=O)N[C@@H](CO)[C@@H](O)c3ccccc3)o2)CC1 97756384 MVAKXKBLAJTPQS-HKUYNNGSSA-N 373.453 0.851 0 50 FCAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1nc(N)nc2c1CCCC2 220091176 RCWJBJMWCAJBCB-CABCVRRESA-N 363.462 0.403 0 50 FCAA COc1ccnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)c1 221260990 AJHYNBNMILOJHO-KRWDZBQOSA-N 372.425 0.999 0 50 FCAA CN1CCc2[nH]nc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)c2C1 222236114 ZWPOIQFRWJNSEN-HUUCEWRRSA-N 357.414 0.759 0 50 FCAA O=C1CCCCN1CCC(=O)N1CCN(c2ccc3nccn3n2)CC1 244735066 NSORZBOKWRDZDE-UHFFFAOYSA-N 356.430 0.781 0 50 FCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCNC[C@@H]2C)ccc1OC 269199283 MBPJQNMZVMKVOV-PZBABLGHSA-N 353.444 0.437 0 50 FCAA CN1CC[C@@H]2OCCN(C(=O)CCNS(=O)(=O)c3ccccc3)[C@@H]2C1 285744584 LAXMMNJXWWHLHA-CVEARBPZSA-N 367.471 0.287 0 50 FCAA CN1C[C@@H](NC(=O)CN2CCCCCC2=O)c2sccc2S1(=O)=O 299785448 ZXJIZXZQIOEBLQ-LLVKDONJSA-N 371.484 0.942 0 50 FCAA CNS(=O)(=O)c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c(F)c1 301889302 SHKYVGVPVGNGON-ZDUSSCGKSA-N 357.451 0.892 0 50 FCAA CCn1cncc1S(=O)(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O 330350845 LOCREKDBMDMMIZ-LBPRGKRZSA-N 366.447 0.593 0 50 FCAA C[C@@H]1C(=O)NCCCN1C(=O)c1c(I)cnn1C 331688222 WHJRIKDJPMBPKY-SSDOTTSWSA-N 362.171 0.375 0 50 FCAA CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H]2CCCN2C)cc1 422143571 YQNDWEMMFWOERZ-HNNXBMFYSA-N 367.471 0.720 0 50 FCAA Cc1cc(C)n(C2CN(c3cc([C@H]4CCOC4)nc(NCCO)n3)C2)n1 426370893 BFJDLSNJQFQIHH-AWEZNQCLSA-N 358.446 1.259 0 50 FCAA COCCn1cnnc1[C@@H](C)NC(=O)N1CCN(c2ncccn2)CC1 426477263 SLFQYCLNHWNVID-CYBMUJFWSA-N 360.422 0.307 0 50 FCAA CN(C)[C@H]1CCN(Cc2cn(C)nc2C(=O)N2CCOC(F)(F)C2)C1 952887396 CZVIRUCDVHZCRT-ZDUSSCGKSA-N 357.405 0.621 0 50 FCAA CC(C)C1=NO[C@H](C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)C1 952989440 QZEIAIAFTGOLKS-HNNXBMFYSA-N 372.491 0.662 0 50 FCAA Cc1cccc(Nc2nc(N)nc(CN3C[C@@H]4[C@@H](C3)C4(CO)CO)n2)c1 1772712291 MXIGMMRLPYRODA-ZIAGYGMSSA-N 356.430 0.538 0 50 FCAA COc1ncc(CN2CCCN(C(=O)CCCn3cncn3)CC2)cn1 1775978263 PTZSKRRUHCPBRX-UHFFFAOYSA-N 359.434 0.591 0 50 FCAA NC(=O)COc1cccc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1 1857728292 VTEAFSLEWOFCFT-KDOFPFPSSA-N 359.382 0.114 0 50 FCAA O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857734473 KHKWIZZKJOZSIQ-QLFBSQMISA-N 362.821 0.657 0 50 FCAA CN(C)c1cccc(C(=O)NCC23CC(C(N)=O)(C2)C2(CCNCC2)O3)c1 1875394015 YGSMPXDZFVORRY-UHFFFAOYSA-N 372.469 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371.393 0.762 0 50 FCAA C[C@@H](C(=O)NCc1ccccc1)N1CCN(c2cnn(C)c(=O)c2)CC1 244884321 YJXVNRZWDXHYFO-HNNXBMFYSA-N 355.442 0.607 0 50 FCAA COc1ccccc1N1CC[C@@H](NC(=O)NCCNC(=O)C(C)C)C1=O 363986688 IEQDRNWGUGXOQE-CYBMUJFWSA-N 362.430 0.872 0 50 FCAA CCn1cc(CCN2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cn1 375725660 DOPDTKXRFJXDHD-INIZCTEOSA-N 358.508 0.818 0 50 FCAA Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[S@](=O)C[C@H](C)C1 408398170 WGUWLOTWHJRMPZ-STFLBKPXSA-N 362.473 0.679 0 50 FCAA O=C(NS(=O)(=O)Cc1cccc2c1OCCO2)[C@@H]1C[C@H]2CC[C@@H]1O2 408495837 GOQLYLSLKMSJBN-UPJWGTAASA-N 353.396 0.971 0 50 FCAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cc(O)nc(N)n2)CC1 426428913 RXAGKXOESUZXSU-HNNXBMFYSA-N 368.441 0.470 0 50 FCAA Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(C)n1C[C@H]1CCCOC1 913367198 ZFJYVCPAMFAFAJ-FVQBIDKESA-N 370.471 0.419 0 50 FCAA CC1(C)[C@@H](CN2CCOCC2)C(=O)[C@H](CN2CCOCC2)C(C)(C)N1[O] 952853099 SOLRXSLYBCWKAO-HOTGVXAUSA-N 368.498 0.671 0 50 FCAA O=C(NCCCc1nnc2ccccn12)c1cc(N2CCOCC2)no1 1772817693 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CCOC(=O)CN(C)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 42453698 NTSSYECIPYAZQO-ZDUSSCGKSA-N 359.448 0.461 0 50 FCAA C[C@@H](O)[C@H](N)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71416407 SVVLOMRVKVUPSE-ABAIWWIYSA-N 356.430 0.197 0 50 FCAA CSCC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@@H](C)O)cc2C1 77408056 ARQBHXHYKLWCDB-GFCCVEGCSA-N 372.512 0.984 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)c1=O 77456180 PKHWTNRYIIBTPS-HNNXBMFYSA-N 369.421 0.667 0 50 FCAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)CC2=O)cc1 82137066 ZSEHVAYHMWVRET-CQSZACIVSA-N 369.425 0.328 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2ccccc2=O)CN1C1CCCCC1 97797484 ZBZWGASTIMUUCJ-RDJZCZTQSA-N 374.485 0.876 0 50 FCAA Cc1cc(N2CCN([C@H](C)C(=O)Nc3nncs3)CC2)n2ncnc2n1 252478800 AVHBMXJLQPBYJB-LLVKDONJSA-N 373.446 0.433 0 50 FCAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@H]3CCOC3)C2=O)n(C)n1 266322643 IAPNODIYTTWVJX-QWHCGFSZSA-N 356.448 0.180 0 50 FCAA CN(C)c1nc(O)cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C2)n1 276647976 YAPCWLGWGKOPNY-DZGCQCFKSA-N 363.462 0.708 0 50 FCAA CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 283032792 GCXCCQNUHIMJLB-CQSZACIVSA-N 365.455 0.868 0 50 FCAA C[C@H]1OCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)[C@@H]1C(N)=O 284761729 OVQNLSHSYLHKRU-PELKAZGASA-N 350.799 0.884 0 50 FCAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 299741675 ACWSGZFWUMMSNT-RNCFNFMXSA-N 354.309 0.630 0 50 FCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 299758364 PBBBWGJXIDVCNU-IRXDYDNUSA-N 360.458 0.769 0 50 FCAA Cc1cnn(CCC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1 299767808 UWKMWWYHOLTDIC-IAGOWNOFSA-N 361.446 0.938 0 50 FCAA COC(=O)[C@@H]1CN=C(O)CN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 328594540 SCUUXLUWYALDCU-AWEZNQCLSA-N 372.381 0.505 0 50 FCAA CCN(CC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1)C1CC1 328633678 STPKHYQIABQVDO-HNNXBMFYSA-N 354.476 0.685 0 50 FCAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)OCO3)n1 328635948 VEUZVKFBVOQMFK-GXSJLCMTSA-N 353.356 0.603 0 50 FCAA COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1 363311757 CDHQTCXWMGELER-ZDUSSCGKSA-N 371.397 0.317 0 50 FCAA Cc1cc(C)n(CC(=O)N2CCn3nc(CNc4cnccn4)cc3C2)n1 426360403 PPDIPURRXXPEEG-UHFFFAOYSA-N 366.429 1.141 0 50 FCAA COC(=O)Cn1cc(CN2CC[C@](c3nc(C)no3)(C(F)(F)F)C2)nn1 952893619 UTDSSFPRAGTDHV-ZDUSSCGKSA-N 374.323 0.849 0 50 FCAA Cc1cc(C(=O)N2CCOC3(CCN(CCn4cnnc4C)CC3)C2)no1 1506399487 AAHCJDNSOFZMRS-UHFFFAOYSA-N 374.445 0.890 0 50 FCAA CCOc1ccccc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529095214 OEPQUTKCCOIDJF-GXTWGEPZSA-N 356.444 0.410 0 50 FCAA O=C(O)[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)C1CC1)C2 1565514339 IELNKVANLJEFRV-YOEHRIQHSA-N 350.440 0.997 0 50 FCAA COc1ccc(O)c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704302348 HYFOSOQXQSTJAY-GXFFZTMASA-N 358.416 0.037 0 50 FCAA CN1C[C@H](O)C[C@@H]1CNC[C@@H](O)COc1cccc2c1CCC[C@@H]2O 1875347269 SJDFTLLEILXVGM-ADAWSYLGSA-N 350.459 0.451 0 50 FCAA O=C(N[C@@H]1C[C@@H](C(=O)O)S(=O)(=O)C1)c1sccc1-n1cccc1 2325848152 APOOVYKEZMNRLU-KOLCDFICSA-N 354.409 0.909 0 50 FCAA C[C@H](CC(=O)NCCNC(=O)c1ccc(C(N)=O)o1)N1CCCCC1=O 2325879378 STCSHKGTEYBTON-LLVKDONJSA-N 364.402 0.016 0 50 FCAA O=C([C@H]1CCn2ncnc2C1)N1CCc2nc(C3CCOCC3)nn2CC1 2356165935 LIOWDGJYFRADHR-AWEZNQCLSA-N 371.445 0.411 0 50 FCAA O=C(NCCN1CCOCC1)c1ccccc1NC(=O)c1ccc[nH]c1=O 55385379 NPDGSNWTTIFACQ-UHFFFAOYSA-N 370.409 0.689 0 50 FCAA CN(C(=O)Cn1nnnc1N)[C@@H]1CCCN(CCCc2ccccc2)C1 72152782 GPBFQXPJCVEWOK-MRXNPFEDSA-N 357.462 0.811 0 50 FCAA Cc1ncc2c(c1CNC(=O)c1ccc(S(N)(=O)=O)cc1)CCNC2 72418951 AOJRCJXYQQOHEB-UHFFFAOYSA-N 360.439 0.613 0 50 FCAA CN(C)Cc1cc2n(n1)CCN(c1nccc(N3CCC[C@H](O)C3)n1)C2 72426897 MSZDXGRFFHVACF-INIZCTEOSA-N 357.462 0.716 0 50 FCAA O=C(CCc1ccc(=O)[nH]n1)N1CCN(c2ncnc3ccccc23)CC1 72440520 KJLLZSAVTJURFM-UHFFFAOYSA-N 364.409 0.995 0 50 FCAA Cc1cc(CN(C)C(=O)C[C@@H]2COCCN2C(=O)c2ccc(N)nc2)no1 72462899 HWJRLKVVRKJQGI-OAHLLOKOSA-N 373.413 0.850 0 50 FCAA Cc1cc(C)n2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)nc2n1 75875015 GIXYVINMGKLHNF-UHFFFAOYSA-N 368.397 0.861 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)CC1 78051822 NHCWRJGNEDSAKR-UHFFFAOYSA-N 367.402 0.821 0 50 FCAA CN[C@@H](C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2)c1ccccc1 82099788 PYTWWHXJOZUZDR-QGZVFWFLSA-N 370.457 0.957 0 50 FCAA CC(C)Cc1noc(CN(C)C(=O)c2cnc(Cn3cncn3)nc2O)n1 91860556 ISDPWSFDVPEIJI-UHFFFAOYSA-N 372.389 0.676 0 50 FCAA CN1CC[C@]2(CCC1=O)CN(Cc1cc(=O)n3ccccc3n1)CCN2C 91872024 FGEJJKBIQBDHRD-HXUWFJFHSA-N 369.469 0.823 0 50 FCAA Cc1cccc(N2CCN(CCC(=O)NCCc3n[nH]c(=O)n3C)CC2)c1 95352456 CGYXHXYCGRSVRH-UHFFFAOYSA-N 372.473 0.288 0 50 FCAA COCCc1nc(CCCn2cccn2)n([C@@H]2CCS(=O)(=O)C2)n1 96167026 AOGZQDGMUOQBDF-CYBMUJFWSA-N 353.448 0.656 0 50 FCAA CCNC(=O)COc1ccc(NC(=O)N2CCC[C@@H]3C(=O)NC[C@H]32)cc1 170608473 VVPLJQPFCVJZEF-LSDHHAIUSA-N 360.414 0.944 0 50 FCAA O=C(NCCN1CCCOCC1)N[C@H]1CCN(c2ccccc2F)C1=O 187171370 AYLCYPAKUZIWPG-HNNXBMFYSA-N 364.421 0.953 0 50 FCAA Cc1cn(CC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c(=O)[nH]c1=O 215522063 XNUAKDRDSAENAK-HNNXBMFYSA-N 353.382 0.599 0 50 FCAA COc1cc(=O)n2c(c1C(=O)NCCc1c(C)n[nH]c1C)CCNCC2 219396406 LMPFBCVYRYOIHI-UHFFFAOYSA-N 359.430 0.315 0 50 FCAA COc1ccc(C2(C(=O)N3CCN(c4cc(=O)[nH]c(N)n4)CC3)CC2)cc1 219821291 YFDDGJSADYLTGR-UHFFFAOYSA-N 369.425 0.741 0 50 FCAA CC[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1CC(F)F 222050873 NYWLNZLZHSZFMK-VXGBXAGGSA-N 353.435 0.598 0 50 FCAA CN(CCC(=O)NCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 223848908 ILMYSFGQXRIWBW-CYBMUJFWSA-N 369.491 0.130 0 50 FCAA Cc1ccc(N2CCC[C@H](N[C@@H]3CCN(c4cnn(C)c4)C3=O)C2)nn1 329517850 ZGVDXCBITABRDO-GOEBONIOSA-N 355.446 0.882 0 50 FCAA CCc1nc2ccccc2n1CCC(=O)NCc1nc(N)nc(N(C)C)n1 426425159 GVEQTJWRTVTMPU-UHFFFAOYSA-N 368.445 1.138 0 50 FCAA CN(C)[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@@H]1n1ccnn1 862942876 HXILUNQNXFLHPR-CABCVRRESA-N 354.418 0.430 0 50 FCAA Cc1ccc(CNC(=O)CN2CCC[C@](O)(Cc3nncn3C)C2)cc1 888077094 IRAHDTCCGZKDNX-IBGZPJMESA-N 357.458 0.809 0 50 FCAA O=C(Nc1ccnn1-c1ccccc1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1073281447 GUPJVCAOUSVJKZ-KGLIPLIRSA-N 361.427 0.475 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCCN(Cc3cncs3)CC2)C1 1529167965 UHOFSKLRSZBDHO-CQSZACIVSA-N 365.503 0.375 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1O 1616070263 BBUDGSIZSJTIQJ-WBVHZDCISA-N 364.471 0.556 0 50 FCAA CN(C)c1nc(N2CCc3c(C(=O)O)c(O)cc(=O)n3CC2)ncc1F 1772707786 YTWRFQJLLDOYGF-UHFFFAOYSA-N 363.349 0.310 0 50 FCAA Cc1nc(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)n[nH]1 1772809681 ZZNLLZDGCWCHBO-LLVKDONJSA-N 362.459 0.828 0 50 FCAA O=C(C[C@@H](O)COCc1ccccc1)N[C@H]1C(=O)NCC12CCOCC2 1875271179 QDPMWIYQOXZNCJ-WBVHZDCISA-N 362.426 0.366 0 50 FCAA Cc1cc(O)c(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@]45CCOC5)[C@H]3C2)nn1 1875331973 HLJUVZALUKDKKC-SNOGYCHESA-N 358.398 0.104 0 50 FCAA Cc1ccccc1[C@@H](CC(=O)N1CC(c2cc[nH]c(=N)n2)C1)NC(N)=O 1875348747 BAYIUADPZZLYQQ-OAHLLOKOSA-N 354.414 0.923 0 50 FCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC2(CNC(=O)N2)C1 2100534628 QOOAXSCNAAULCQ-UHFFFAOYSA-N 368.393 0.472 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3C[C@H]4COC[C@@]4(CO)C3)CC2)c1 2356168870 FPNCECNXCMZRGA-PXNSSMCTSA-N 359.470 0.584 0 50 FCAA O=C(NCc1ccccc1-n1cncn1)c1cn(C[C@@H]2CCCO2)nn1 12387164 MOLUSSJYAXLEEF-AWEZNQCLSA-N 353.386 0.968 0 50 FCAA COc1cc([C@H](C)NC(=O)CCNS(C)(=O)=O)cc(OC)c1OC 46923963 YEORXMYBFWWIAS-JTQLQIEISA-N 360.432 0.829 0 50 FCAA O=C(CCn1cnnn1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48194601 GHBZQDFJKDIYAJ-UHFFFAOYSA-N 367.369 0.767 0 50 FCAA C[C@@H]1C[C@@H](CC(=O)N2CCCn3nc(C(=O)O)cc3C2)NC(=S)N1 65504904 LOAWIYRPKNKXJM-ZJUUUORDSA-N 351.432 0.329 0 50 FCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)C1CCNCC1)C2 67675468 ZXRVSMBMILSNDY-UHFFFAOYSA-N 368.441 0.550 0 50 FCAA CCc1nc(C)c(CC(=O)N2CCC3(CC2)CN(C)CCN3C)c(=O)[nH]1 67675502 KACZFPDDXVPVFF-UHFFFAOYSA-N 361.490 0.422 0 50 FCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)[C@H]1CCOC1)C2 67769930 QYRCSYXZZLPYFI-ZDUSSCGKSA-N 355.398 0.587 0 50 FCAA CCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 72144014 XVAHYAZHPCVNCK-CYBMUJFWSA-N 350.467 0.541 0 50 FCAA COCCNc1nc(C)nc2c1CCN(c1cc(C(N)=O)ccn1)CC2 72431775 CRXXPBOMCSBBEN-UHFFFAOYSA-N 356.430 0.942 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(OCc2cccnc2)CC1 77453415 QFSPAVNEPIJCFM-UHFFFAOYSA-N 358.398 0.530 0 50 FCAA O=C1CC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)CN1 77553977 ZUKJADQGFFMCAS-UHFFFAOYSA-N 350.440 0.979 0 50 FCAA CN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@]12CCNC(=O)CC2 91445129 HOPICAIXZDDIOO-INIZCTEOSA-N 355.435 0.801 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(Cc4ncc[nH]4)CC3)n2C)CC1 91468534 WBXQEHKVMRPFLP-UHFFFAOYSA-N 358.494 0.665 0 50 FCAA COc1cccc([C@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2N)c1 91664739 KSZFQMAUPQUTJR-CVEARBPZSA-N 352.456 0.773 0 50 FCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(S(=O)(=O)C(C)C)CC2 95371736 JEOUXZXDPCMYNG-UHFFFAOYSA-N 367.475 0.851 0 50 FCAA Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)c3n[nH]c(=O)[nH]3)CC2)c1 95374840 JTBFKJWEXPAMJJ-AWEZNQCLSA-N 358.446 0.796 0 50 FCAA CC(=O)N1C[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@]2(C(=O)O)C1 96135720 DGUWSWOWAXHFQG-RHSMWYFYSA-N 356.386 0.232 0 50 FCAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)nn(C)c1Cl 129496196 UIZUGFPNQHJFCM-VIFPVBQESA-N 374.854 0.933 0 50 FCAA Nc1nnc(SCC(=O)NCCc2noc([C@H]3CCCO3)n2)s1 215365650 MPVVHSKUXPCPEO-SSDOTTSWSA-N 356.433 0.806 0 50 FCAA Cc1nc([C@@H]2CCCN(C(=O)c3cc(-n4cnnn4)ccc3O)C2)n[nH]1 215433351 JNFVDSFCIZYTPJ-LLVKDONJSA-N 354.374 0.814 0 50 FCAA Cc1nnc(CNC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)o1 219514185 NDVLCANLTSZIJV-UHFFFAOYSA-N 364.427 0.538 0 50 FCAA CNC[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 237321782 WHPUZVVTVMBGIO-SNVBAGLBSA-N 366.892 0.974 0 50 FCAA C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1CC(=O)N[C@H]1CCCCNC1=O 247929856 QFLOXNBPDFKYCC-YUELXQCFSA-N 358.442 0.639 0 50 FCAA CN1CCCN(c2ncnc3c2CCN(C(=O)[C@H]2CCOC2)CC3)CC1 248095651 CWBISYMVEZPGNX-HNNXBMFYSA-N 359.474 0.582 0 50 FCAA CN(c1nncs1)S(=O)(=O)CCCS(=O)(=O)NCC1CC1 253423065 HDCKVFYOACUEIY-UHFFFAOYSA-N 354.479 0.024 0 50 FCAA CS(=O)(=O)N1CCC(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)CC1 299740978 CNNMNMKFFVWQJK-RDBSUJKOSA-N 358.460 0.902 0 50 FCAA CS(=O)(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 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Cc1cn(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c(=O)nc1O 1565509181 GNWPYSOKUSGQPG-STQMWFEESA-N 360.370 0.005 0 50 FCAA CCCOc1ccccc1C(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565512287 MUBAVYBYLBUVHZ-HOTGVXAUSA-N 363.458 0.729 0 50 FCAA CC(C)c1cc(C(=O)N2C[C@@H](CO)C[C@@H](CN3CCOCC3)C2)n[nH]1 1565528492 VLLJZCDFAXYUKD-GJZGRUSLSA-N 350.463 0.936 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccccc2-n2cccn2)C[C@@H]1O 1615937480 JOZGGZRGPBKHLE-WBVHZDCISA-N 364.471 0.556 0 50 FCAA O=C(N[C@@H](CCc1cn(Cc2cccs2)nn1)C(=O)O)[C@H]1CCOC1 1875324536 CCPNRFNVMNBMKG-FZMZJTMJSA-N 364.427 0.926 0 50 FCAA Cc1cccc(CC(=O)N2C[C@@H]3C(CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)c1 1875349048 LANHMZBRALKUJB-BRWVUGGUSA-N 355.438 0.637 0 50 FCAA C=CC(=O)N(C)CC(=O)N1CCC2(CC1)C[C@@H](O)c1nn(CC)cc1O2 1875368640 HSJBLGVAJFBPCP-CYBMUJFWSA-N 362.430 0.725 0 50 FCAA C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)c1nn(C)c2ccccc12 2325840522 DGWQBVCHKSTKAF-BMIGLBTASA-N 359.382 0.575 0 50 FCAA NC[C@H]1C[C@@H](O)CN1c1cc(N2C[C@@H](N)[C@H](c3ccccc3)C2)ncn1 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LCXOHZAEBUGFNW-NSHDSACASA-N 363.443 0.810 0 50 FCAA CC(C)c1nccc(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)n1 77537106 KVURFLTVAMMDIN-CYBMUJFWSA-N 356.430 0.950 0 50 FCAA COC[C@@H](NC(=O)Cn1c(C)nn(-c2ccccc2)c1=O)c1ccnn1C 77538776 YYVLPHYJBYITMY-OAHLLOKOSA-N 370.413 0.580 0 50 FCAA COCCN1CCC[C@]2(CCN(C(=O)CSc3nc(C)n[nH]3)C2)C1=O 92077704 GUIRSFOSUXRXMR-MRXNPFEDSA-N 367.475 0.693 0 50 FCAA CCc1nc(-c2ccc(S(N)(=O)=O)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 95365626 DFLOSQXDPAOXGT-LLVKDONJSA-N 370.456 0.515 0 50 FCAA Cc1ccc(-c2nc(-c3c[nH]c(=O)cn3)n([C@H]3CCS(=O)(=O)C3)n2)o1 96152056 SQSYPDUTVCVARF-JTQLQIEISA-N 361.383 0.956 0 50 FCAA CS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccccc2-c2nnn[nH]2)C1 97394325 GBUGIEMTYXFECV-LLVKDONJSA-N 364.431 0.268 0 50 FCAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cn1 219859171 QPYVGSZOYWQNCE-OLZOCXBDSA-N 353.448 0.128 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C[C@@H]12 223201158 YYAWIBIMQLHQNV-LBPRGKRZSA-N 356.209 0.705 0 50 FCAA COC(=O)c1ccoc1CN(Cc1ccco1)[C@@H]1CS(=O)(=O)C[C@H]1O 241287126 LKDIMOHDHNCWGB-ZIAGYGMSSA-N 369.395 0.819 0 50 FCAA CS(=O)(=O)N1CCCc2cc(C(=O)N3CCOC[C@@H]3C(=O)O)ccc21 262558168 YUAUVQLNZMDQHO-CQSZACIVSA-N 368.411 0.324 0 50 FCAA COc1cc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc(C(=O)O)c1OC 279434038 ZMMMRMQDWXUSQH-UHFFFAOYSA-N 370.383 0.355 0 50 FCAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 285402585 GCOREQLPFURNKD-DOTOQJQBSA-N 356.430 0.765 0 50 FCAA CN1CCCNC(=O)C12CCN(C(=O)c1cccc(-n3cnnc3)c1)CC2 426381446 LWYHIJMMYBSVEQ-UHFFFAOYSA-N 368.441 0.694 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnn[nH]1 426727502 NVBGWRXVNZRXNW-INIZCTEOSA-N 356.430 0.163 0 50 FCAA O=C(O)[C@H]1CN(C(=O)NCc2ccc(N3CCCNC3=O)cc2)CCO1 851653785 BDELCEDHDKJUPG-CQSZACIVSA-N 362.386 0.601 0 50 FCAA CCOc1ncccc1C(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1 952860073 CJWLVLZDQDXYMD-CYBMUJFWSA-N 370.475 0.729 0 50 FCAA Cc1ccc(OCCN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c(C)c1 1529158761 KXRBUAAYDPJXII-JKSUJKDBSA-N 356.488 0.866 0 50 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COC(=O)C1=NN[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 18157497 WDZNAZASSADKQS-RKDXNWHRSA-N 352.144 0.439 0 50 FCAA CSCCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20234888 MHOLFLGKKKDAAF-OAHLLOKOSA-N 357.520 0.817 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCn1cccn1 39460982 WLOUUMCOAMIPPS-KRWDZBQOSA-N 373.432 0.919 0 50 FCAA Cn1nnnc1SCCNC(=O)CCNC(=O)c1ccccc1F 55228313 PWNGQYGGEIGVPG-UHFFFAOYSA-N 352.395 0.378 0 50 FCAA COCC(=O)N[C@H]1C[C@@H](C(=O)NCCc2cccc(Cl)c2)N(C)C1 67843189 LYUNHASCJDNLDG-GJZGRUSLSA-N 353.850 0.834 0 50 FCAA Cc1c(CN2CCO[C@]3(CNCCOC3)C2)c2ccccc2n1CC(N)=O 72150404 IJDSTEANRSVHQA-HXUWFJFHSA-N 372.469 0.626 0 50 FCAA OCCN1CCN(c2nc(-c3ccncc3)nc3c2CCNCC3)CC1 72432721 UEKUZDIOODSQKX-UHFFFAOYSA-N 354.458 0.341 0 50 FCAA CC(C)C(=O)N1CCN(C(=O)c2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 72439561 NVNCBROKQOCVOE-KGLIPLIRSA-N 351.428 0.188 0 50 FCAA Cn1ncc(N2CC[C@H](CNC(=O)c3cccc4ccnn34)C2)cc1=O 77470671 OLEAAYAFJSCCJX-CYBMUJFWSA-N 352.398 0.684 0 50 FCAA COC[C@H](NC(=O)Cn1c(C)nn(-c2ccccc2)c1=O)c1ccnn1C 77538775 YYVLPHYJBYITMY-HNNXBMFYSA-N 370.413 0.580 0 50 FCAA Cc1cc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)n2ncnc2n1 79392366 CWXSIRGDSOTGOX-UHFFFAOYSA-N 354.418 0.448 0 50 FCAA CC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccon2)cc1 91326475 PZQKEFTZMDMFMN-AWEZNQCLSA-N 367.427 0.996 0 50 FCAA COc1cccc(S(=O)(=O)N2CCC3(CC2)CN[C@H](C(=O)O)C3)c1 91847584 AOKRPQWLXAUKPJ-AWEZNQCLSA-N 354.428 0.913 0 50 FCAA CCOCCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nnn[nH]2)c1 95373741 BIDDWUBZGXOWGZ-SNVBAGLBSA-N 368.419 0.006 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)CCn2cncn2)CN1Cc1ccsc1 95496576 QPVHZFHRMLOIQH-KGLIPLIRSA-N 362.459 0.235 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnccn2)CN1C(=O)CCSC 96166349 SYBQZKJGWUTZFF-AAEUAGOBSA-N 365.459 0.065 0 50 FCAA COCCN(C)CC(=O)N1C[C@H](c2ccc(OC)cc2)[C@@H](NC(C)=O)C1 212468066 YSIUCEZMKMYCQV-MSOLQXFVSA-N 363.458 0.704 0 50 FCAA Cc1cn(CC(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(=O)[nH]c1=O 215409474 CYYHXPRMJTVPKB-JTQLQIEISA-N 356.342 0.167 0 50 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355.442 0.747 0 50 FCAA N=c1nc(Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cc[nH]1 1875290054 NKOFFYVYWRZNHY-GFCCVEGCSA-N 352.354 0.394 0 50 FCAA Cn1cc(N2CCC[C@@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@@H]5CN4C3=O)C2=O)cn1 1875290893 HGTIIONXZAIZBH-NGFQHRJXSA-N 357.414 0.978 0 50 FCAA Cn1cc(COc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cn1 1875326098 ADWCDCQDYJKPCW-GFCCVEGCSA-N 368.349 0.400 0 50 FCAA O=C(c1nc2ncc(CCO)cn2n1)N1CCNC[C@@H]1c1ccccc1 2325795310 XYUQWNJUXMVDGB-OAHLLOKOSA-N 352.398 0.446 0 50 FCAA CN(CCCF)C[C@@H](O)CN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 2325867293 QMBGVWQPALWGHO-CYBMUJFWSA-N 353.394 0.742 0 50 FCAA C[C@@H](CNC(=O)CN1CCCCC1)NC(=O)c1ccc2c(c1)CC(=O)N2 2325870567 DZNLRPDJHTXECP-ZDUSSCGKSA-N 358.442 0.902 0 50 FCAA Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](CO)C(=O)N2C1 14535949 UOTUHFQIFQCWSO-UHTWSYAYSA-N 366.805 0.230 0 50 FCAA Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 45824476 MVLGCZVNOBHKSP-ZDUSSCGKSA-N 357.432 0.693 0 50 FCAA CCCCc1ccc(S(=O)(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)cc1 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CCc1c(C)cc(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)c(=O)n1C 216435073 NXWVTRPSWPTZBF-CYBMUJFWSA-N 369.487 0.658 0 50 FCAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(CC(C)(C)N1CCOCC1)C2 219697726 ZDALZWQGABLNGJ-SFHVURJKSA-N 365.522 0.795 0 50 FCAA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CN2CCCC2)cc1 222773664 XATSEIRXKAUQGX-IAGOWNOFSA-N 361.442 0.672 0 50 FCAA Cc1cc(O)n2nc(CC(=O)N3CC[C@@H](n4nc(C)cc4C)C3)nc2n1 223733165 GLLVOQASLNDWQA-CYBMUJFWSA-N 355.402 0.968 0 50 FCAA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3cccn4cnnc34)C2)n1C 244716078 LHWPRFDJQYQOKJ-TXEJJXNPSA-N 354.418 0.595 0 50 FCAA COCCN1C[C@H](C(=O)NCCc2nnc(C(F)(F)F)s2)CC1=O 244778715 PVDZREYCRRDGCS-MRVPVSSYSA-N 366.365 0.711 0 50 FCAA CN(C)S(=O)(=O)CCCN1CCC(C(=O)NCc2ccco2)CC1 252483334 DZDFBORRQGFSJN-UHFFFAOYSA-N 357.476 0.889 0 50 FCAA Nc1cc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ncn1 299787889 YNLWCPLFBZSLQO-MRXNPFEDSA-N 374.489 0.820 0 50 FCAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)nc(O)n1 299798768 VUBSHYFZRUKKKX-LBPRGKRZSA-N 370.475 0.782 0 50 FCAA Cc1noc(C)c1CN1CCN([C@H]2CCN(c3ccn(C)n3)C2=O)CC1 369418669 HBHRMAZPTYHMIS-INIZCTEOSA-N 358.446 0.948 0 50 FCAA CCS(=O)(=O)C[C@@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C 488480015 RPEYAGJOXIIRJN-CKUKBARFSA-N 356.492 0.722 0 50 FCAA O=C(O)[C@H](NC(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1)c1ccc(O)cc1 534579022 CYQCWIWMRPBEKW-ZVJHWVFESA-N 350.371 0.291 0 50 FCAA CC1(C)NC(=O)N(CC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)C1=O 827827409 AGVGHVUUFNBLSG-NSHDSACASA-N 350.419 0.224 0 50 FCAA CN1C(=O)CCc2cc(CN3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)ccc21 859396481 RRUYOVWOYNNCKR-QZTJIDSGSA-N 356.426 0.953 0 50 FCAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 865004532 CTVOMNDGMRDICD-AWEZNQCLSA-N 351.428 0.965 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)C(F)(F)C2(O)CCCC2)C1 886084786 HEWVRIAJRAQLNV-AWEZNQCLSA-N 358.389 0.652 0 50 FCAA Nc1nnc(SCC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)s1 1704278134 AJTMOBLMUQLUJE-GHMZBOCLSA-N 351.457 0.981 0 50 FCAA O=C(CN1C[C@@H](O)[C@H](Cc2cnccn2)C1)N1CCOc2ccccc21 1704302523 OARWVEYETWMWKA-RHSMWYFYSA-N 354.410 0.737 0 50 FCAA Cc1ccc(F)cc1CC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704328178 YNUNEWNZBMASKL-ZFWWWQNUSA-N 358.435 0.699 0 50 FCAA Cc1c(-c2nc(CC(N)=O)nn2C[C@H]2COCCO2)nc2ccccn12 1857675564 DIBDNDJHBWFQGX-LBPRGKRZSA-N 356.386 0.344 0 50 FCAA CC(C)=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CS(C)(=O)=O)C2)C1 1857703054 GUTMDUJBRABZLY-NVXWUHKLSA-N 358.504 0.673 0 50 FCAA CCc1noc(C)c1C(=O)N1CCOC[C@H]1CCNS(=O)(=O)CC 1857708428 UAFRYTJWPPAFNW-GFCCVEGCSA-N 359.448 0.716 0 50 FCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnn[nH]3)CC(=O)N2[C@H]1c1ccccc1 1857741443 SRIFBJXXZOJHMC-XEZPLFJOSA-N 369.381 0.392 0 50 FCAA CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 1875252525 PIMGGGMDVDUEKK-CLRIEMFWSA-N 355.464 0.746 0 50 FCAA Cn1cc(C(=O)N2CC[C@@H](n3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326350 HPJKJZCCXRRXGW-CYBMUJFWSA-N 367.369 0.859 0 50 FCAA CNC(=O)C1(NC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1875404597 OECVDKIMIQXSLH-CYBMUJFWSA-N 360.462 0.242 0 50 FCAA O=C(N[C@@H]1CCOC12CCN(C(=O)c1csnn1)CC2)[C@@H]1C[C@@H]1F 1875404983 IGGPVLFWHDFDJR-JFGNBEQYSA-N 354.407 0.776 0 50 FCAA O=C(c1ncc[nH]c1=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2100473158 BTCFLNLYBFTYMU-FZKQIMNGSA-N 357.366 0.290 0 50 FCAA O=C1NCCN(C[C@H]2CC3(CC3)S(=O)(=O)N2)[C@H]1CC1CCCCC1 2325803828 FHGISQMVQWDNRT-CABCVRRESA-N 355.504 0.982 0 50 FCAA COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@]12C(=O)Nc1ccccc12 2863343 LBFQZFQNBJQWCX-GOSISDBHSA-N 354.318 0.922 0 50 FCAA O=C(c1ccccc1Cl)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14741654 RBEPFQYKUPLQDW-OLZOCXBDSA-N 365.842 0.908 0 50 FCAA Cc1nc(CN2CCN(C(=O)CSc3nnc(C)s3)CC2)no1 55119481 UFUTYAMRMQVZIR-UHFFFAOYSA-N 354.461 0.974 0 50 FCAA COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]1CN(C(C)C)CCO1)C2 65373336 BBVZRCUMCJMNJX-OAHLLOKOSA-N 364.446 0.901 0 50 FCAA COc1ccc(C(=O)CCC(=O)N2CCC3(CC2)NCCNC3=O)cc1 67433066 SKHHVEGRHKIZLP-UHFFFAOYSA-N 359.426 0.739 0 50 FCAA O=C(O)c1cn(C[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)nn1 67842108 VDDYXSVPVFZUEH-ZDUSSCGKSA-N 351.407 0.632 0 50 FCAA Cc1nc2nc(CN3CCCn4nc(CCC(=O)O)cc4C3)cc(O)n2n1 72410952 PZDXNMBWFZBOJA-UHFFFAOYSA-N 371.401 0.758 0 50 FCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CCCO1)C2 77457867 LPRDITZGRMLMIW-MRXNPFEDSA-N 368.455 0.675 0 50 FCAA CC(C)CN1CCCn2nc(CNC(=O)CCS(C)(=O)=O)cc2C1 82087779 DVTAMHPTSLVZQB-UHFFFAOYSA-N 356.492 0.796 0 50 FCAA CC(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82120007 RSCYBQKCIZRARE-HXUWFJFHSA-N 372.469 0.991 0 50 FCAA Cc1cc(C)n(CC(=O)N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)n1 91526838 IUXORTYJCBYAKS-QZTJIDSGSA-N 364.490 0.271 0 50 FCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1nccc(-c2ccccc2)n1 91547320 VCFBURJDUZETJS-AWEZNQCLSA-N 353.382 0.791 0 50 FCAA C[C@@H](O)[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 92037465 OBGDZWUVXDMSDZ-QAPCUYQASA-N 374.485 0.563 0 50 FCAA COCCN(Cc1cnn(C)c1)C(=O)Cn1c(=O)cnc2ccccc21 95521509 ALEFDKZLJIMNOL-UHFFFAOYSA-N 355.398 0.805 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cnnc3)nc2)CN1C 96136789 TZCMYEUNZCJZIT-CABCVRRESA-N 371.445 0.333 0 50 FCAA COc1ccc(CCC(=O)N2C[C@H]3CN(CCO)C[C@@]3(C(=O)O)C2)cc1 97527828 ARBOKFMMRVUFNX-DNVCBOLYSA-N 362.426 0.465 0 50 FCAA O=C(c1cccc(S(=O)(=O)NCc2cccnc2)c1)N1CCCNCC1 97743528 OPXNNPWIDKZBOJ-UHFFFAOYSA-N 374.466 0.996 0 50 FCAA Cc1[nH]c(-c2ncccn2)nc(=O)c1CC(=O)N1CCCC[C@H]1[C@H](C)N 121865518 JIVKNNKYPMAZIC-FZMZJTMJSA-N 356.430 0.806 0 50 FCAA CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CCO2)n1 173575195 SPJBTXGKHUWSCI-OCCSQVGLSA-N 373.413 0.909 0 50 FCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCC(=O)N1CCN(C)CC1 177427695 DWOWPTUPUGEMGQ-UHFFFAOYSA-N 360.418 0.277 0 50 FCAA O=C(Cn1cc(Cl)cn1)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215527585 FSGPOTOJNCOCDV-OCCSQVGLSA-N 354.838 0.758 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1=O 216162415 PIYLMSOAZLTKFO-OAHLLOKOSA-N 358.398 0.219 0 50 FCAA O=C(CN1CCCCC1=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 223018040 NCRVYKCTTJOESF-IAGOWNOFSA-N 362.426 0.844 0 50 FCAA C[C@H](NC(=O)[C@H]1COCCN1)c1cc(F)ccc1N1CCC(O)CC1 237531963 UFASSPLRAFXCAQ-BLLLJJGKSA-N 351.422 0.952 0 50 FCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@H](CO)[C@H](O)[C@H]1O 239386660 PVZNOMYOMQFDQC-JSRQGNBESA-N 353.415 0.307 0 50 FCAA COC(=O)c1cc(NC(=O)[C@@H](C)N2CC[C@@H](O)C2)cc(C(=O)OC)c1 269835599 BZGBKBZRFKHVCP-QMTHXVAHSA-N 350.371 0.653 0 50 FCAA CNC(=O)c1ccn([C@H]2CCCN(CC(=O)NCc3cccnc3)C2)n1 275905596 IUYRWOGJRDLZOX-HNNXBMFYSA-N 356.430 0.591 0 50 FCAA Cc1ccc(-n2nnnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 278592232 AAXNGRBFJBKPCP-OAHLLOKOSA-N 362.459 0.975 0 50 FCAA O=C(Cn1ccccc1=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328622165 IEQBYQURAGTPNJ-MRXNPFEDSA-N 369.425 0.839 0 50 FCAA O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2CCCN2Cc2ccccc21 329241120 NGKXCQFGVWXNNZ-HNNXBMFYSA-N 364.409 0.902 0 50 FCAA CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 331800674 JZEPAHPMJFTGGC-CYBMUJFWSA-N 374.484 0.666 0 50 FCAA COc1cccc(CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 366133528 XRXUIBPFXXUDLC-CQSZACIVSA-N 368.459 0.800 0 50 FCAA CS(=O)(=O)NCCNC(=O)NCCc1noc(-c2ccccc2)n1 584888500 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CCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(C)=O)C[C@@H](O)C2)cc1 91636370 FLYZCMOFCXXLOV-OAHLLOKOSA-N 369.443 0.113 0 50 FCAA CN(C)C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2cccc(C(=O)O)c2)C1 91665098 OPDJVIHXMYQCND-OLZOCXBDSA-N 356.444 0.566 0 50 FCAA O=C(c1c[nH]c(=O)[nH]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95525916 UDZLPJLNSXYHJE-UHFFFAOYSA-N 370.413 0.352 0 50 FCAA Cc1ccc2c(c1)N(CC(=O)N1Cc3nc[nH]c3C[C@@H]1C(=O)O)C(=O)CO2 96133039 HJBSEXBXDXDWIR-CQSZACIVSA-N 370.365 0.482 0 50 FCAA COC(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)C(C)C 170625513 FDNUBNNHZOXBCK-HIFRSBDPSA-N 361.398 0.831 0 50 FCAA biogenic CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(CCN)cc3)CC[C@@H]21 216267341 YZHRCLSQCJXTCO-MSOLQXFVSA-N 358.486 0.860 0 50 FCAA CCCc1nnc(NC(=O)CN2C[C@H](O)[C@@H](N3CCCCC3)C2)s1 244584400 CYPHPNBGZMDOMY-STQMWFEESA-N 353.492 0.960 0 50 FCAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC(Oc3cccnc3)CC1)CC2 252502409 UPZVXDKEVKASGE-CYBMUJFWSA-N 357.414 0.609 0 50 FCAA O=S(=O)(N1CCCC1)N1CCN(C[C@H]2COc3ccccc3O2)CC1 252502775 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Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCC(=O)Nc2nncs2)on1 952991678 QZFNUEILMFMIMW-PWSUYJOCSA-N 365.415 0.927 0 50 FCAA COCCN1CC[C@@H](CN(C)S(=O)(=O)c2cccc(C(=O)O)c2)C1 1506418067 UWHBMPVUBHBYOS-ZDUSSCGKSA-N 356.444 0.974 0 50 FCAA CNC(=O)c1ccc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)o1 1529172477 MTMBETSQSUZOMQ-CVEARBPZSA-N 357.366 0.512 0 50 FCAA CCc1nccn1CCC(=O)N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O 1565530855 HXVHDHCJXDWFAN-IRXDYDNUSA-N 357.458 0.982 0 50 FCAA COCC1(C(=O)N2CCCN(C(=O)CN3CCOC3=O)CC2)CCC1 1772711099 FBVASFXSDBHCCA-UHFFFAOYSA-N 353.419 0.316 0 50 FCAA CN(C)C(=O)CN1CC2(CCN(CC[C@H]3CCOC3)CC2)OCCC1=O 1857735786 BGNNBDMCNKEFTB-INIZCTEOSA-N 367.490 0.585 0 50 FCAA CCN1N=C(C(=O)N2CCC(NC(=O)C3CCOCC3)CC2)CC1=O 1875261296 BXSYCYCMCPRRAO-UHFFFAOYSA-N 350.419 0.128 0 50 FCAA CC1=NO[C@@H](C(=O)N2CC3(CN(C(=O)c4ncc(Cl)n4C)C3)C2)C1 1875407012 QXOXMWPBPHWBGJ-SNVBAGLBSA-N 351.794 0.523 0 50 FCAA O=C(Cn1ncc(=O)c2ccccc21)N1CC[C@@]2(CCS(=O)(=O)C2)C1 2325768124 LXCKLTSQALIQGL-QGZVFWFLSA-N 361.423 0.434 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 2356136846 MDGYFSUNUXFZNS-DJJJIMSYSA-N 371.393 0.353 0 50 FCAA CO[C@@H]1C[C@@H](C(=O)NCCn2cnc(C)c2C)CC[C@H]1NS(C)(=O)=O 2356151677 TVFNQFGDVNYYLQ-RRFJBIMHSA-N 372.491 0.349 0 50 FCAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCNC(C)=O)CC1 11933071 NRBFJCBGSYOUIG-SFHVURJKSA-N 369.506 0.879 0 50 FCAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccccc3OC)CCN2C1=O 14533643 AILDWBMLNCAMCJ-BJJXKVORSA-N 359.426 0.893 0 50 FCAA C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1nncn1C 51136284 RSIJWNFZEDAHCE-VIFPVBQESA-N 350.404 0.045 0 50 FCAA CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 55175116 GGZWGXLCRLTJIL-GFCCVEGCSA-N 363.461 0.362 0 50 FCAA NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ncc[nH]2)C3)cc1 67885761 VCJNXDVWZMSTNR-UHFFFAOYSA-N 364.365 0.457 0 50 FCAA Cc1nn(CC(=O)N2CCCOCC2)c(=O)n1-c1ccc2c(c1)OCO2 77287649 FSJARUJMCXMKGX-UHFFFAOYSA-N 360.370 0.320 0 50 FCAA COC(=O)c1ccc(CNC(=O)CN2CCC3(CC2)CC(=O)N(C)C3)o1 77487939 GVXHXDOJPHGHBA-UHFFFAOYSA-N 363.414 0.627 0 50 FCAA COCCN(C)C[C@@H]1CN(C(=O)c2c(C)[nH]c(C)cc2=O)C[C@@H]1CO 91351233 VBBAYKPPCOULOJ-HUUCEWRRSA-N 351.447 0.250 0 50 FCAA O=C1C[C@@H](C(=O)N2CCc3nc[nH]c(=O)c3CC2)c2cc(F)ccc2N1 91604241 AGNZTJAGHUFADG-CYBMUJFWSA-N 356.357 0.962 0 50 FCAA O=C1NC(=O)[C@@H](CC(=O)N2CCC(c3nccn3CC3CCC3)CC2)N1 91950635 TYCPCEYRLGYNSE-CQSZACIVSA-N 359.430 0.987 0 50 FCAA O=C(N[C@H]1CCNC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 92097336 CQHYZEXNEDUOSZ-HNNXBMFYSA-N 360.439 0.652 0 50 FCAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1c[nH]c(=O)c(Cl)c1)CCN2C 95373964 XZWQXZMHTPLBKP-KRWDZBQOSA-N 366.849 0.797 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2csc(C)n2)CN1C1CCOCC1 96132401 VAYMKZLFXRKIRB-WFASDCNBSA-N 366.487 0.939 0 50 FCAA CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 97173324 UDWUEWCMBIMQCF-CQSZACIVSA-N 353.444 0.692 0 50 FCAA NS(=O)(=O)c1ccc(CNC(=O)c2cnc(N3CCCC3)nc2)cc1 97742611 HCDFHWHUNARWPI-UHFFFAOYSA-N 361.427 0.654 0 50 FCAA Cn1c(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)cc(=O)n(C)c1=O 97819649 CCCLWJFMSZNKNA-GDBMZVCRSA-N 357.410 0.952 0 50 FCAA CN1CCO[C@@H]2CN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)C[C@@H]21 152253667 HHSFKWLHNRCLHC-JKSUJKDBSA-N 355.398 0.126 0 50 FCAA CCN1C[C@]2(C(=O)O)CN(C(=O)Cn3cnc4ccccc43)C[C@@H]2C1=O 215491520 WBRBVAIFABDISK-XIKOKIGWSA-N 356.382 0.428 0 50 FCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCN(c2ncccn2)CC1 215759960 LLEPMFFRSJBSIP-UHFFFAOYSA-N 356.430 0.848 0 50 FCAA O=C(Cc1cccnc1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 220072943 GQZBIZRFWVQUIN-UHFFFAOYSA-N 351.472 0.782 0 50 FCAA C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1n[nH]c(-c2ccccn2)n1 225684870 LFDKDIRKGXISLT-MNOVXSKESA-N 365.415 0.324 0 50 FCAA C[C@H]1C[C@H](N(C)C(=O)CN2CCNCC2=O)CCN1Cc1ccccc1 237560591 KRGRLKKHONVDAB-FUHWJXTLSA-N 358.486 0.930 0 50 FCAA C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 237606866 AOCDYZIKEIVLPI-KSZLIROESA-N 352.523 0.772 0 50 FCAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CCn1nc2ccccn2c1=O 238028723 FLMBRIRICCZLSL-OAHLLOKOSA-N 366.377 0.924 0 50 FCAA CN(CC(=O)Nc1ccccc1C(=O)O)S(=O)(=O)N1C[C@H]2CC[C@H]1C2 275086950 GBSYNAXNZAGHNB-RYUDHWBXSA-N 367.427 0.984 0 50 FCAA CCOc1cc(C(=O)N2CCC[C@H]2C(=O)NC)ccc1OCC(=O)O 299750199 MVAUQTVQNYFNGJ-LBPRGKRZSA-N 350.371 0.899 0 50 FCAA CN1CCC(N2CCC[C@@H](C(=O)N3CCc4ncnc(O)c4C3)C2)CC1 299790898 CGGFZXZIWQYYSI-CQSZACIVSA-N 359.474 0.873 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c(Cl)c1 408111283 CRHQXPIZDIVSTA-STQMWFEESA-N 371.846 0.871 0 50 FCAA C[C@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)[C@@H]1C)C(=O)N1CCCCC1 408194931 ZAHBHASGDUBROK-MELADBBJSA-N 359.492 0.011 0 50 FCAA O=C(NCCSc1cnn[nH]1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 426370213 BRSDTUOABFUUBW-GFCCVEGCSA-N 368.463 0.320 0 50 FCAA COc1cccc(CCNC(=O)N2CCN(CCn3cncn3)CC2)c1 426517680 VQTRKNITLPDBKN-UHFFFAOYSA-N 358.446 0.857 0 50 FCAA Cc1cc(O)nc(CCNC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 426546039 AVDMGYZTGNYARM-UHFFFAOYSA-N 359.386 0.794 0 50 FCAA NS(=O)(=O)c1ccc(CNC(=O)c2nc(O)nc3ccccc23)cc1 426556026 QFTMDTIYGSSKHA-UHFFFAOYSA-N 358.379 0.913 0 50 FCAA Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)c1cc(F)cc3nn[nH]c13)C2 952849400 OXEZJRJYENDHIX-LLVKDONJSA-N 358.381 0.583 0 50 FCAA O=C(Cc1cccs1)NCC1CCN(C(=O)C2=NNC(=O)CC2)CC1 952989084 SMYJAENPYXJLEM-UHFFFAOYSA-N 362.455 0.911 0 50 FCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCn1c(CO)nc2ccccc21 1565509679 FMLWQQYHODYPJS-BTINSWFASA-N 358.442 0.752 0 50 FCAA CCc1ocnc1C(=O)N1C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C1 1565513826 PEGHQKHZAJYZNK-NEPJUHHUSA-N 358.464 0.730 0 50 FCAA COC[C@H]1[C@@H](NC(=O)c2ccc(OCCNC(C)=O)cc2)[C@H]2CCO[C@H]21 1565529626 XKKFLKUNPLEPKU-VSZNYVQBSA-N 362.426 0.981 0 50 FCAA Cc1cc(C)n(Cc2cccc(C(=O)N[C@H]3CCO[C@H](CO)[C@H]3O)c2)n1 1857672851 IMVSEGUPBNHENC-KSZLIROESA-N 359.426 0.789 0 50 FCAA C[C@H]1CN2C[C@H](NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@H]2CO1 1857724079 LCFUGHIKIJHLAQ-BJJXKVORSA-N 367.471 0.674 0 50 FCAA O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)[C@@H]1CO[C@H]2COC[C@@H]12 1875310195 IIMADNPLOIGAIK-ZENOOKHLSA-N 358.398 0.999 0 50 FCAA 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0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@]2(CCCNC2=O)C1 91973835 OWQPMMMVHOSMNP-MRXNPFEDSA-N 351.428 0.385 0 50 FCAA COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 95522638 NHTZXZKHRGMRRM-JKSUJKDBSA-N 373.453 0.775 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccncc2)CN1C1CCOCC1 96135860 SGDXICRMKYITMG-AEFFLSMTSA-N 374.485 0.887 0 50 FCAA O=C(CN1CCN(C(=O)Nc2ccc(F)nc2)CC1)N1CCOCC1 96152872 MBTHCPOMQZQDTC-UHFFFAOYSA-N 351.382 0.229 0 50 FCAA COc1cccc(OC[C@H](O)CNC(=O)c2ccc(-n3cnnc3)nc2)c1 97436874 RRDGKUDHJVRBKQ-CQSZACIVSA-N 369.381 0.841 0 50 FCAA Cn1cc(C(=O)NCCS(=O)(=O)N2CCCC2)c(=O)c2ccccc21 97732573 NRPKFEPZVQNLAY-UHFFFAOYSA-N 363.439 0.694 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCC1=CSC2=NCCN12 102577876 BGGXWMWYINCLNM-AWEZNQCLSA-N 363.487 0.496 0 50 FCAA CNC(=O)Cn1cc(NC(=O)CCn2cnc3ccccc3c2=O)cn1 194353849 ZJESMHYBOKZIRZ-UHFFFAOYSA-N 354.370 0.368 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 215949861 KWKARCXLJSPKNW-UHFFFAOYSA-N 366.381 0.297 0 50 FCAA Cc1cccnc1NCCNC(=O)[C@H]1Cc2ccccc2S(=O)(=O)N1 220342558 IRQVOWMMVLACLU-CQSZACIVSA-N 360.439 0.821 0 50 FCAA CC1CCN(C(=O)CCN2CCCn3nc([C@@H](O)CO)cc3C2)CC1 220368039 HSXQEPVARWBAIR-KRWDZBQOSA-N 350.463 0.763 0 50 FCAA Cc1nnc(-c2ccc(OCCOCCOCCOCCN)cc2)nn1 222807589 JOEAATMYJGXMGS-UHFFFAOYSA-N 363.418 0.629 0 50 FCAA COC[C@@H]1[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2OC)[C@@H]2CCO[C@@H]21 223202522 HZNKBFJGGXREPD-FDEJFUCISA-N 370.427 0.122 0 50 FCAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3CCOC[C@H]3O)ccc21 223673314 NRUPMDGYYQLVNY-GDBMZVCRSA-N 354.428 0.414 0 50 FCAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)n1 275300561 MVLRTGCVASIKHE-OAHLLOKOSA-N 367.383 0.431 0 50 FCAA Cc1ccc2c(=O)cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)oc2c1 299791615 GZDZCIDSCLIYSM-NSHDSACASA-N 350.396 0.852 0 50 FCAA C[C@H](C(=O)N1CCO[C@H](CNc2nccn(C)c2=O)C1)c1cccnc1 328621443 AMGXTBFVRUCFEL-DZGCQCFKSA-N 357.414 0.618 0 50 FCAA CN1CCN(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)CC1=O 329955644 PDEIZLBYRQYALD-UHFFFAOYSA-N 371.441 0.843 0 50 FCAA COc1cccc(C(=O)NCC(=O)N[C@H]2CCCc3c2cnn3CCO)c1 363701770 PXUKPWXCFGHIMN-INIZCTEOSA-N 372.425 0.808 0 50 FCAA CCCCN1CCn2nc(CNC(=O)[C@H]3NCCc4nc[nH]c43)cc2C1 426410767 XNKQYNUHPJTOKJ-KRWDZBQOSA-N 357.462 0.725 0 50 FCAA CCc1nnc(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1C 486395758 UTIFJZDMXGMTCO-ZDUSSCGKSA-N 353.467 0.462 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2cnn3c2CCCC3)[C@@H]1c1ccnn1C 886027107 FSCVOPGWHGDWTQ-IRXDYDNUSA-N 358.446 0.755 0 50 FCAA CN1CCC[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)C1 1529179793 DTOJKJYRXLPBFC-BRWVUGGUSA-N 351.491 0.940 0 50 FCAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3nnc(C)o3)CC2=O)s1 1857667802 UZGDZIMUEBXADO-VIFPVBQESA-N 366.403 0.435 0 50 FCAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)N[C@H]1CCNC1 1857695126 UZWZXXRVCQDACR-DLBZAZTESA-N 368.485 0.951 0 50 FCAA Cc1cc(F)c(C(=O)N2CC3(C2)[C@@H](C(=O)O)CCS3(=O)=O)cc1F 1875393537 NUPGINBLNNEJIT-SNVBAGLBSA-N 359.350 0.987 0 50 FCAA O=C(NC1CCC2(CC1)CCN(C(=O)Cn1ncnn1)C2)[C@@H]1C[C@@H]1F 1875404963 FWJZYYXAMSOMSQ-WULFKBJJSA-N 350.398 0.309 0 50 FCAA Cc1cccn2cc(CN=c3ccc(C(=O)N4CCNCC4)n[nH]3)nc12 2325793467 VPTKRTMSQRKJEE-UHFFFAOYSA-N 351.414 0.512 0 50 FCAA O[C@@H](CN1CCN(Cc2cn[nH]c2)CC1)Cn1cc(Br)cn1 2325800604 WSTAYXQFFBXCEF-AWEZNQCLSA-N 369.267 0.547 0 50 FCAA CCn1nccc1C1CCN(c2cc(N3C[C@H](O)C[C@@H]3CN)ncn2)CC1 2325807021 UXKGIBCYUMIGTA-HZPDHXFCSA-N 371.489 0.975 0 50 FCAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@H]1CCCN(CC(N)=O)C1 55196834 MJPLYTFHQCSONF-ZDUSSCGKSA-N 351.451 0.814 0 50 FCAA Cc1cc(C)cc(NC(=O)CC(=O)N2CCn3c(C(N)=O)cnc3C2)c1 67855401 JNNVUEXDASGHCO-UHFFFAOYSA-N 355.398 0.970 0 50 FCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCN(C)C)c(F)c1 72152107 OZUBKFXCFCWBBC-INIZCTEOSA-N 366.437 0.203 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C2CCNCC2)C1 72423054 SYHADOWZVFWNLN-HNNXBMFYSA-N 362.522 0.703 0 50 FCAA CC(=O)N[C@H](CO)C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72474367 SWEZQPBIEWVFQT-CQSZACIVSA-N 350.371 0.008 0 50 FCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)CC2)[C@H]3C1=O 77457178 KRPFRHAPADKPOB-XPVILTJLSA-N 361.442 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VUJNTQJKAFFYTE-UHFFFAOYSA-N 354.296 0.793 0 50 FCAA COc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)cc1 14749636 GDQVSYULXYBBLX-BPUTZDHNSA-N 374.441 0.022 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)cc1 44624702 YSDAZDRBPZRZSW-KRWDZBQOSA-N 359.426 0.991 0 50 FCAA C[C@@H](Cn1cccn1)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67605870 HHQBGKYRLXSAHL-VIFPVBQESA-N 370.456 0.656 0 50 FCAA CCc1nnc(NC(=O)C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)s1 67843014 LFISEMUGOHYEOT-OAHLLOKOSA-N 351.432 0.510 0 50 FCAA COc1ccc(OCc2cc(C(=O)NC[C@@H](O)CO)n[nH]2)c(Cl)c1 67884219 INHXVDWLNNNJNR-SNVBAGLBSA-N 355.778 0.734 0 50 FCAA COC(=O)c1nnn(CCN2C(=O)c3ccccc3C2=O)c1C(=O)OC 71289334 JOBSOUOXPGIGBE-UHFFFAOYSA-N 358.310 0.148 0 50 FCAA CC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CC1 71749363 XDHHMWXRMZOWRS-UHFFFAOYSA-N 360.462 0.552 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(C(=O)N2CCCCC2)CC1 72409978 MLWVBVISZRABJU-UHFFFAOYSA-N 362.430 0.165 0 50 FCAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cc2n(n1)CCCN(c1cnccn1)C2 72422538 DMGZZMQZADKWJG-CVEARBPZSA-N 367.457 0.936 0 50 FCAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)CC2)[C@@H]3C1=O 77565052 NZWSIEYHOCZGKU-AMVTXUCVSA-N 361.442 0.306 0 50 FCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 95516732 JFUVQXMNYFUTSI-ZDUSSCGKSA-N 363.439 0.680 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)Cn2sc3ccccc3c2=O)CC1 95522117 LFLKIHRGTMGGEF-UHFFFAOYSA-N 355.441 0.167 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)Nc2cn(C)nn2)cc1 96153275 ZIULVGILALTAIS-UHFFFAOYSA-N 352.420 0.614 0 50 FCAA O=C(c1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1)N1CCCC1 97155639 AUYNMNBAFOJYLJ-CQSZACIVSA-N 354.428 0.616 0 50 FCAA COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(C)nn(C)c1Cl 129495981 UIZUGFPNQHJFCM-SECBINFHSA-N 374.854 0.933 0 50 FCAA CC[C@H](CO)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 131354332 LNPDMGOEGNUSCY-CYBMUJFWSA-N 364.421 0.884 0 50 FCAA COc1ccc([C@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2NC(C)=O)cc1 212102370 DUISIJJKOZCQIB-CVEARBPZSA-N 358.402 0.203 0 50 FCAA CSCCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCNC2)c1 214998593 BVPPFAMKUCRVNZ-CYBMUJFWSA-N 357.501 0.810 0 50 FCAA Cn1ccnc1[C@@H](NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1ccccc1 215151044 GAWDACGUNDJVOL-HNNXBMFYSA-N 353.382 0.255 0 50 FCAA Cc1nonc1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 219967004 MICQRRUWTQDXHQ-UKRRQHHQSA-N 360.370 0.372 0 50 FCAA CCn1ncc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3CCOC)C2)c1C 244718678 LOVRMFPLJYYRQB-BETUJISGSA-N 362.434 0.618 0 50 FCAA Cc1c(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cnc2cc(=O)[nH]n12 252535656 GNVCHLCCCAMDRN-PRXAMGSTSA-N 353.382 0.968 0 50 FCAA Cc1cnc(N2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)nc1N 253600135 FNESXYZLFMSMJL-HOTGVXAUSA-N 369.473 0.524 0 50 FCAA Cc1nc2n(n1)C[C@H](NC(=O)Cn1c(O)nc(=O)c3ccccc31)CC2 263891787 SFFCMMRYTPAPPX-LLVKDONJSA-N 354.370 0.133 0 50 FCAA Cn1cc(N2CC[C@@H](N3CCC[C@@H](c4cc(C(N)=O)[nH]n4)C3)C2=O)cn1 266221965 RRQINMYCRYVWOD-IAQYHMDHSA-N 357.418 0.227 0 50 FCAA CC(C)C[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O 269567317 MQCQSJLIJAURPS-ZIAGYGMSSA-N 371.393 0.619 0 50 FCAA O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1 275099213 LJGZMLHSDFUCLQ-SNVBAGLBSA-N 367.832 0.602 0 50 FCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)CC2CCOCC2)C1=O 275375401 XZWGAGRWCLURHN-AWEZNQCLSA-N 370.475 0.744 0 50 FCAA O=C(NCCc1csc(-c2cnccn2)n1)[C@@H]1CCS(=O)(=O)C1 299777576 NFHJRFYPJZFLKX-SNVBAGLBSA-N 352.441 0.694 0 50 FCAA NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc(OCc2cccnc2)c1 378418904 BZRPFGSUIKWDFY-KRWDZBQOSA-N 355.394 0.916 0 50 FCAA O=C1CCCN1CCCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426599551 KJJHOZATGDWXPV-ZDUSSCGKSA-N 361.446 0.586 0 50 FCAA CN(C)CCN1CCC(NC(=O)NC[C@@H](O)c2cccc(O)c2)CC1 823698132 JXNZWRHMRCXMCV-QGZVFWFLSA-N 350.463 0.751 0 50 FCAA CNC(=O)[C@H]1CCCN1c1ncnc2c1ncn2CC1(O)CCOCC1 888097215 FAIUDBNSULJMQX-GFCCVEGCSA-N 360.418 0.083 0 50 FCAA C=CC(=O)N(CC)CC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 911494500 GGGMBTAWWUMRLB-GFCCVEGCSA-N 352.412 0.372 0 50 FCAA COc1ncccc1C(=O)N[C@H]1CC12CCN(c1nccn(C)c1=O)CC2 952895069 RQKHSFUKLDWITI-AWEZNQCLSA-N 369.425 0.973 0 50 FCAA O=C(NCCn1cccn1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529196927 JQUUHDMUQUNZPU-SJORKVTESA-N 355.398 0.525 0 50 FCAA Cc1cn(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCCC2)c(=O)nc1O 1565513918 QCVZZBKNEHLZSS-UKMLZYKCSA-N 362.430 0.015 0 50 FCAA CCc1ncc(C(=O)N2CCCN(c3ccc(C(=O)O)nn3)CC2)cn1 1772808892 DVCIRKABZROLJB-UHFFFAOYSA-N 356.386 0.880 0 50 FCAA Cn1ccnc1CN1CCC(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)CC1 1775959707 RJAFPKPAHBVDEQ-ZMSDIMECSA-N 358.446 0.319 0 50 FCAA NC(=O)c1cncc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1 1857708592 BSQVVTWYLUIJTP-HOTGVXAUSA-N 367.409 0.582 0 50 FCAA O=C(CCc1ccc(O)nn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]c1 1940196369 GGVMCVWKGADIGO-GJZGRUSLSA-N 355.398 0.959 0 50 FCAA O=S1(=O)CCN(S(=O)(=O)N2CCC[C@H]2CC(F)(F)F)CC1 2325746876 GUOMMMLLLDIZBI-VIFPVBQESA-N 350.384 0.378 0 50 FCAA CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 899604 CWNOCKPAYPZWNT-UHFFFAOYSA-N 362.473 0.741 0 50 FCAA O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 1074551 VNKKYUCREAUXBV-UHFFFAOYSA-N 364.423 0.914 0 50 FCAA CCn1ncc(Cl)c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12 2784406 QMQHXUBFNWSOKQ-ISVAXAHUSA-N 370.818 0.929 0 50 FCAA CC1=NN(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4316628 QHNCMIYZOPRXDB-UHFFFAOYSA-N 352.398 0.872 0 50 FCAA O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)cs1 13996720 ZAECIJIHFCONJX-UHFFFAOYSA-N 360.442 0.873 0 50 FCAA CCCn1ncc(NC(=O)Cn2cc(-c3ncnc4nc[nH]c34)cn2)n1 48351472 HEAJUHXHFFLFFL-UHFFFAOYSA-N 352.362 0.857 0 50 FCAA COc1ncccc1C(=O)N1CCNC[C@@H]1C(=O)NCc1ccncc1 72151405 AZUBHUVEEKLPHW-OAHLLOKOSA-N 355.398 0.216 0 50 FCAA CN(C)CCOc1ccccc1CN1CCN(C)[C@@H]2CS(=O)(=O)C[C@@H]21 72436200 SLYZHEQZKUROKR-SJORKVTESA-N 367.515 0.540 0 50 FCAA O=C1NC[C@@]2(C(=O)O)CN(C(=O)c3cnn(Cc4ccccc4)c3)C[C@@H]12 72448060 DZNCDNYBRPLPMP-KBXCAEBGSA-N 354.366 0.204 0 50 FCAA Cn1ncc(N2CCC(CNC(=O)CCCc3cn[nH]c3)CC2)cc1=O 77298580 GOEXEFQBAFLXKA-UHFFFAOYSA-N 358.446 0.859 0 50 FCAA O=C(NCc1ccc2c(c1)CCCO2)c1cn(CCN2CCNCC2)nn1 77380481 KDECZUHREYOWBM-UHFFFAOYSA-N 370.457 0.438 0 50 FCAA Cn1ncc(N2CCO[C@H](CCn3cc(-c4nccs4)nn3)C2)cc1=O 95374439 MBEMDTZBSVDLFP-CYBMUJFWSA-N 373.442 0.791 0 50 FCAA COc1ccc([C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2NC(C)=O)cc1 95526497 ZFCJVINIYXFOIW-LSDHHAIUSA-N 354.428 0.170 0 50 FCAA Cn1cnnc1Sc1ccc(CN2CCN(c3ncc[nH]c3=O)CC2)o1 97716971 NYUJTFNNLGNUPX-UHFFFAOYSA-N 373.442 0.965 0 50 FCAA Cc1nc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cs1 212962272 QKPBBTBOFUFWQX-OCCSQVGLSA-N 364.471 0.532 0 50 FCAA O=C(NCC1(Cn2cccn2)CC1)[C@H]1Cc2ccccc2S(=O)(=O)N1 222381907 UQFODAVLUCDTGJ-CQSZACIVSA-N 360.439 0.683 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)NCCSc1nnnn1C 244899331 ZHYRJNJQIZGRRK-UHFFFAOYSA-N 361.435 0.106 0 50 FCAA COc1cc(S(=O)(=O)N(C)c2ccn(C)n2)cc(C(=O)O)c1OC 274911033 KPQWUVVEDYSVAR-UHFFFAOYSA-N 355.372 0.961 0 50 FCAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCNS(=O)(=O)c1ccccc1 375494255 KLKBUQHRHNPVRB-XPKDYRNWSA-N 365.455 0.467 0 50 FCAA CC(C)(CO)CCCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426471044 SEZRXORFVSOTDD-ZDUSSCGKSA-N 350.463 1.372 0 50 FCAA Cc1noc(C)c1CNC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 426494456 OEDUCAAMWXPVSG-CQSZACIVSA-N 355.460 0.807 0 50 FCAA CCn1cnnc1CCNC(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 426712635 LSWBQTMYKBEPGC-HNNXBMFYSA-N 360.393 0.862 0 50 FCAA NC(=O)Cn1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)nn1 435561296 SMCMDYISNGEOAR-CQSZACIVSA-N 374.470 0.609 0 50 FCAA COCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCN(C)CC2)cc1OC 952971758 UBQIBHXVVVLAFF-CYBMUJFWSA-N 364.446 0.855 0 50 FCAA CNc1nc(C(N)=O)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)s1 1506427801 NTUBPOQPNCSDBS-UHFFFAOYSA-N 372.410 0.941 0 50 FCAA Nc1cccc(C(=O)N2CCCN(C(=O)CCN3CCCC3=O)CC2)n1 1529147166 VJEJZRKKLAGPSR-UHFFFAOYSA-N 359.430 0.351 0 50 FCAA COc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)c(O)c1 1565526889 CJDLSKOKZXZDQQ-YOEHRIQHSA-N 371.393 0.801 0 50 FCAA COc1cc2ccc1OCCn1cc(nn1)CCC(=O)NCCN(C)C2=O 1704356210 DGUPCMIQJLNKTA-UHFFFAOYSA-N 373.413 0.500 0 50 FCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC[C@H](OCc2ccccn2)C1 1857667141 NAMXCNGXHRSAFU-ZDUSSCGKSA-N 354.374 0.602 0 50 FCAA CN1CCn2nc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2C1=O 1857679138 XRUSSRUOHHVPTC-QWHCGFSZSA-N 367.409 0.390 0 50 FCAA Cc1nc(N2CC[C@@H](CO)C2)c2c(n1)C1(CC2)CCN(CC(=O)O)CC1 1857683016 PAYYOAGOVQQMCC-CQSZACIVSA-N 360.458 0.968 0 50 FCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]12 1857688220 XPJMJWZDODKFSH-DZKIICNBSA-N 350.440 0.421 0 50 FCAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCN2C(=O)OC[C@H]2C1 1857710369 UFYAPAMMWOJTPE-LLVKDONJSA-N 352.416 0.565 0 50 FCAA NC(=O)c1cn2c(n1)CCN(S(=O)(=O)Cc1ccc(F)cc1)CC2 1875246622 SGWFYHYQDRHLCR-UHFFFAOYSA-N 352.391 0.509 0 50 FCAA CCOC(=O)c1sc(N(C)C(=O)[C@H]2CCn3nnnc3C2)nc1C 1875341520 WJQXWISMLBDUNR-VIFPVBQESA-N 350.404 0.840 0 50 FCAA CCC1=NO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CCc3ccc(=N)[nH]c3)C2)C1 1875406680 JZGKQOSOKRHYSS-ZNMIVQPWSA-N 359.430 0.745 0 50 FCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@H](O)C4)ccc3C2=O)C(=O)N1 2325887171 XDRIQCTVRPYNAA-DZGCQCFKSA-N 371.393 0.045 0 50 FCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)CC[C@H]1O 2356161278 NYNZVRGXYNZXPS-RDTXWAMCSA-N 373.413 0.955 0 50 FCAA NCc1cn(C[C@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)nn1 23581175 MZHCMLXMJRBQFS-LBPRGKRZSA-N 359.459 0.927 0 50 FCAA Cn1ncc2c(N3CCN4CCNC(=O)[C@@H]4C3)nc(-c3ccncc3)nc21 72164470 HEIAYXBGXSGQRX-AWEZNQCLSA-N 364.413 0.046 0 50 FCAA CCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCNC)C2)nc1 72418697 BMDWFOMTPRTDDO-JKSUJKDBSA-N 359.474 0.868 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(c2cc(N)ncn2)C1 72421163 GNUBIBSMQXHYJU-CYBMUJFWSA-N 358.450 0.404 0 50 FCAA CNc1nc(N2CCc3ncnc(N4CC[C@H](O)C4)c3CC2)ncc1F 72424284 FGJUBPPCDRSAOM-NSHDSACASA-N 359.409 0.624 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)cnc21 77440553 DFTKWUUETBJNDR-UHFFFAOYSA-N 353.386 0.592 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1c(C)nc(O)nc1C 82107890 BHRKVSCBVAFEGV-HIFRSBDPSA-N 363.462 0.528 0 50 FCAA O=C(CCn1cncn1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82133969 VBWGOORSYXCVDF-UHFFFAOYSA-N 371.445 0.714 0 50 FCAA CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 84459731 FMNDGZLUOKVKKK-OLZOCXBDSA-N 352.412 0.951 0 50 FCAA biogenic COc1ccc2c(c1)[C@H](C(=O)NCCSc1nnnn1C)CC(=O)N2 91691118 UDARLCBRYRCIND-LLVKDONJSA-N 362.415 0.553 0 50 FCAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cnn(C)c1)C2 91830300 AFQHNBKFOURAAD-UONOGXRCSA-N 352.460 0.998 0 50 FCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 92099177 BCJYMXCGXVVBCZ-QWHCGFSZSA-N 356.448 0.521 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CSC)CN1Cc1cnn(CC)c1 95371515 XNDNOBKZULWTFP-KGLIPLIRSA-N 353.492 0.461 0 50 FCAA Cc1nc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c(C)s1 96136699 BTUHNRHSDMVYSY-BXUZGUMPSA-N 359.473 0.538 0 50 FCAA O=C(NCCS(=O)(=O)N1CCCC1)c1ccc(Cn2cccn2)o1 215892541 CLJBLKMOZZYIRA-UHFFFAOYSA-N 352.416 0.680 0 50 FCAA CN(C)Cc1ccccc1CN(C)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1 219360169 GMLLTWOSTMKBSD-MRXNPFEDSA-N 357.458 0.864 0 50 FCAA O=C(NCCc1cn[nH]c1)c1ccc(CN2CCS(=O)(=O)CC2)cc1 221440579 ZMBBUBUKQXGOIU-UHFFFAOYSA-N 362.455 0.613 0 50 FCAA 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O=C(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 2881843 KWLZSHLNJJOVSA-UHFFFAOYSA-N 360.480 0.177 0 50 FCAA COCCCNc1nc2nonc2nc1N(C)CCCN1CCOCC1 20406420 DHSKLLBQAWVFLN-UHFFFAOYSA-N 365.438 0.620 0 50 FCAA O=C(NCCO)c1cc2n(n1)CCN(C(=O)C1(c3ccccc3)CC1)C2 65410899 HKRAMUBCDYJFEB-UHFFFAOYSA-N 354.410 0.679 0 50 FCAA O=C(O)c1c(S(=O)(=O)NCC2CCOCC2)sc2c1CCNC2 67678349 LMCHBUDRUMRLNR-UHFFFAOYSA-N 360.457 0.797 0 50 FCAA CCN1C[C@@]2(C(=O)O)CN(C(=O)c3cnc(C4CC4)nc3C)C[C@H]2C1=O 72458022 OJVIYPHUHVRAPC-SCLBCKFNSA-N 358.398 0.668 0 50 FCAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(S(=O)(=O)c1cn[nH]c1)C2 91289439 IMPFTSPSQADKDY-INIZCTEOSA-N 368.459 0.592 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91435316 GNEWSVHOESAOOW-DOTOQJQBSA-N 368.437 0.729 0 50 FCAA COc1ccccc1OCC(=O)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91636307 WONVIXROVFWGBL-HZPDHXFCSA-N 364.442 0.473 0 50 FCAA COc1ccc2nc(CCN(C)C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)[nH]c2c1 91665038 CQIYDXMFJKYHHL-CQSZACIVSA-N 373.413 0.855 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cncc(F)c1)C2 95356914 SYVHLVCGBDULEM-SMDDNHRTSA-N 356.423 0.564 0 50 FCAA CNC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)C1 95378580 ZWSQQFQUMSEXSG-AWEZNQCLSA-N 371.441 0.618 0 50 FCAA Cc1nc(CN2CCOC2=O)n(-c2cc(S(N)(=O)=O)ccc2F)n1 95526159 OIIPARGQMUTNFA-UHFFFAOYSA-N 355.351 0.314 0 50 FCAA C[C@@H](NS(C)(=O)=O)c1nc(COc2ccc(F)cc2)nn1CC(=O)O 97522665 ZELKQPAISVZJSI-SECBINFHSA-N 372.378 0.691 0 50 FCAA CN1CCN(Cc2cc(-c3cnccn3)ccc2OCC(=O)O)CC1=O 97785008 TVGRWIBSXKVJMN-UHFFFAOYSA-N 356.382 0.881 0 50 FCAA O=C1NC(=S)N/C1=C1\C(=O)Nc2ccc(I)cc21 100419302 FBVOFDKMEIWGJU-FPLPWBNLSA-N 371.159 0.959 0 50 FCAA CN1CCN(S(=O)(=O)N(C)C)C[C@]12CCC(=O)N(CC1CC1)CC2 107416327 KUCFTXGUPWLKGE-MRXNPFEDSA-N 358.508 0.202 0 50 FCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 219441775 GTICIRGLGRMOJD-JJXSEGSLSA-N 368.455 0.862 0 50 FCAA Cn1cc([C@H](NS(=O)(=O)c2cccc(C(=O)O)c2)C2CC(O)C2)cn1 223516412 VBIYVANCEKAZJM-ABIUDSBCSA-N 365.411 0.909 0 50 FCAA Cc1cc(C)n2c(=O)n(Cc3nnc([C@H]4C[C@@H](N)C4)n3C3CC3)nc2n1 244787585 PZVGGICRWOANNO-TXEJJXNPSA-N 354.418 0.687 0 50 FCAA CC(=O)N1CCN(C(=O)CCCc2nc(-c3ccncc3)no2)C[C@H](O)C1 299785859 KTVQJOAYODQXPR-OAHLLOKOSA-N 373.413 0.506 0 50 FCAA NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)c2c(c1)OCO2 367540863 BJNLWVUUXLMPCA-SECBINFHSA-N 357.160 0.504 0 50 FCAA O=C(c1ccccc1-n1cncn1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 426398986 GLAQFWADJZLBLT-GDBMZVCRSA-N 365.397 0.745 0 50 FCAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 426595026 PEWMAKWURCIVCE-AWEZNQCLSA-N 371.507 0.975 0 50 FCAA NC(=O)[C@@]1(N2CCN(C(=O)c3ccccc3OC3CC3)CC2)CCOC1 886077912 QTYQDMURUAOKLJ-LJQANCHMSA-N 359.426 0.630 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc3c(c1)CCC(=O)N3)C2 952848521 OMCYYGBBGBEVGJ-KUHUBIRLSA-N 357.410 0.796 0 50 FCAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)NCc2ccc3cncn3c2)n1 952888568 QOGHKMVJFFGZJU-INIZCTEOSA-N 354.414 0.564 0 50 FCAA Cc1n[nH]cc1CN(C)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 952986547 JFSHPZGOVNUQCL-OAHLLOKOSA-N 354.476 0.576 0 50 FCAA CS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)C23CCCC3)cc1 1506405499 AUSLVJHFPYDNLJ-UHFFFAOYSA-N 350.440 0.904 0 50 FCAA COc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1OCC(=O)O 1615941125 PVBJTNHWBGDATR-HOCLYGCPSA-N 373.409 0.984 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1O 1616081234 SJTKPDNIPYRZJM-OCCSQVGLSA-N 360.501 0.782 0 50 FCAA Cn1ncc2c(O)nc(CN3CCC[C@@]4(CCc5cnc(N)nc54)C3)nc21 1704299342 QRLXOKKITRVCIR-GOSISDBHSA-N 366.429 0.921 0 50 FCAA CSc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc1 1704313718 JCIOZRZJGLTWAC-NEPJUHHUSA-N 356.469 0.886 0 50 FCAA C[C@@H]1C(=O)N2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1772705293 MFFSOTURNMQBRM-YPMHNXCESA-N 363.439 0.955 0 50 FCAA CCS(=O)(=O)N[C@@H]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1 1857666312 MIVLJCZWEYOQKK-QWHCGFSZSA-N 374.484 0.680 0 50 FCAA C[C@H]1Cn2nc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)cc2C(=O)N1 1875327971 RUCXZBQNQYJVRE-WDEREUQCSA-N 358.402 0.895 0 50 FCAA CO[C@@H](CNC(=O)c1ccc(C)cc1-n1cc([C@H](O)C2CC2)nn1)C(=O)O 1875353810 GSMSWMSQXIATCV-JKSUJKDBSA-N 374.397 0.849 0 50 FCAA C[C@@H]1COC[C@@](CO)(CN[C@@H]2C(=O)NCC2(C)C)N1Cc1ccccc1 1875392827 WBXNEZGCXLHDKP-MDYRTPRTSA-N 361.486 0.753 0 50 FCAA CO[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@H](C)C2)CCCOC1 1875406268 ARSRBACHXWRWJM-XHBSWPGZSA-N 351.407 0.110 0 50 FCAA Cn1ccc(C(=O)NC2([C@@H]3CCCN3C(=O)C[C@@H]3CCC(=O)N3)CC2)n1 1875406400 CSKDLJLGXLDAMV-JSGCOSHPSA-N 359.430 0.342 0 50 FCAA COc1ccccc1N1C[C@@H](C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)CCC1=O 2325790023 GEQQZKHKYACZKP-YDHLFZDLSA-N 357.410 0.928 0 50 FCAA Cc1cc(N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)n2nc(C)cc2n1 2325848422 FRZHWUXBPWRJHB-GFCCVEGCSA-N 355.402 0.836 0 50 FCAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nc(=O)n(C)[nH]2)cc1 2356170188 ZDNHPCUJSFYQRQ-HNNXBMFYSA-N 360.414 0.981 0 50 FCAA COC(=O)C1=NN[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 4104538 WDZNAZASSADKQS-BDAKNGLRSA-N 352.144 0.439 0 50 FCAA Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCCCC1 4370675 XYOHPKVDXAKWIB-UHFFFAOYSA-N 358.446 0.789 0 50 FCAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 6405842 SPARFYRGUWOPKF-CQSZACIVSA-N 368.455 0.955 0 50 FCAA O=C([C@@H]1CNCCN1C(=O)c1cnc(-c2cccnc2)nc1)N1CCCC1 72154958 VDCAXQOUHZJNLX-INIZCTEOSA-N 366.425 0.575 0 50 FCAA O=C1NC[C@@]2(CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2)O1 72162282 OWYDMFZSTXVNTK-GOSISDBHSA-N 356.382 0.888 0 50 FCAA COc1cc(Cl)ccc1C(=O)N1CCN(C)[C@@H]2CS(=O)(=O)C[C@@H]21 77525669 OVUOUNKCQLHTGA-OLZOCXBDSA-N 358.847 0.902 0 50 FCAA CCCn1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cn1 95364131 OKCPZDHWOSZDGX-LBPRGKRZSA-N 370.431 0.037 0 50 FCAA COCC(=O)N1CC[C@]2(O)CCN(Cc3ccc(C(=O)O)cc3)C[C@@H]2C1 95380148 XDYCVRHPOBLOFP-VQIMIIECSA-N 362.426 0.817 0 50 FCAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc(C)c(C)s3)C[C@]2(C(=O)O)C1 96141491 XANKIDRGTDPJLM-WFASDCNBSA-N 373.500 0.928 0 50 FCAA O=C(Nc1ccc[nH]c1=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 97641892 LBFWJOPBLRVVLP-UHFFFAOYSA-N 368.459 0.538 0 50 FCAA Cc1[nH]c(=O)c(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c(C)c1Cl 97660572 FOTWWTDJXWPFQN-NSHDSACASA-N 354.838 0.572 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Cc1cnccc1N1CCCN(C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CC1 92002149 UKPGGZGGKOUPNI-HNNXBMFYSA-N 359.430 0.711 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3cncn3)c2)CC1 96138043 TYOQCGWBQXUKPF-UHFFFAOYSA-N 350.404 0.376 0 50 FCAA NC(=O)Cc1nc(COC[C@H]2CCCO2)n(-c2ccc3c(c2)OCCO3)n1 96179589 WAAVBBSJFOQXBN-CYBMUJFWSA-N 374.397 0.762 0 50 FCAA O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 134773230 MBLKWNNLKGPQNN-GFCCVEGCSA-N 372.816 0.940 0 50 FCAA NC(=O)[C@@H]1CN(Cc2ccccc2OCCCN2CCOCC2)CCO1 215573632 PKJJVKGQTJAGKL-SFHVURJKSA-N 363.458 0.474 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 220135653 VGTFAUOEIDVVMJ-KRWDZBQOSA-N 361.446 0.624 0 50 FCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc(NC(N)=O)cc1 223536691 HINOZKRBODQBFH-DGAVXFQQSA-N 355.416 0.505 0 50 FCAA Cn1cnc(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1 223950002 WBTREILQDLZSDX-HUUCEWRRSA-N 367.427 0.427 0 50 FCAA COCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O 229909384 WKTVPZHONVQPSW-HNAYVOBHSA-N 373.409 0.549 0 50 FCAA CN(CCC(=O)O)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 262606328 ASSAGCIQCCUEEK-UHFFFAOYSA-N 351.359 0.903 0 50 FCAA COc1cccc([C@H]2CN(c3nc4c(c(=O)nc(O)n4C)n3C)CCO2)c1 268894098 YSWVTWJWPJQVOT-CYBMUJFWSA-N 371.397 0.959 0 50 FCAA Cc1ccc(CN2C[C@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)cc1 299750476 NNLAPGLIAMGOHD-MRXNPFEDSA-N 361.442 0.818 0 50 FCAA CC(=O)c1c(C)nn(CC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c1C 299760184 OEJXKSKOEPBXTB-GJZGRUSLSA-N 358.402 0.666 0 50 FCAA C[C@H](C(=O)NCc1nncn1CCc1ccccc1)N1CCN(C)CC1 299789818 ABYFULKRADNVGK-MRXNPFEDSA-N 356.474 0.773 0 50 FCAA Cc1ccc(N2N=C(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)NCC2=O)cc1 377994763 HVPIFGDVMGARFQ-LBPRGKRZSA-N 355.398 0.124 0 50 FCAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCc2n[nH]cc2C1 426489423 VWGJKCIOTLFYSJ-AWEZNQCLSA-N 352.460 0.194 0 50 FCAA OC1CN(c2nc(NCCCCN3CCCC3)cc([C@@H]3CCOC3)n2)C1 426518289 IGQJAERWANJZRW-OAHLLOKOSA-N 361.490 1.449 0 50 FCAA CCOc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1CO 494791821 FJUJMMUXCQTXRO-UHFFFAOYSA-N 357.370 0.660 0 50 FCAA COC(=O)c1ccc(Cl)c(C(=O)NCCN2CCCS2(=O)=O)c1 810267437 RNPBWPIXDSAIRG-UHFFFAOYSA-N 360.819 0.892 0 50 FCAA CC(=O)Nc1nonc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 1529112587 NWNTZBNNSQMXEQ-UHFFFAOYSA-N 367.387 0.741 0 50 FCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1c(C)nc3ncccn13)C2 1565512462 VJOPHWMYMAJVOU-KGLIPLIRSA-N 357.414 0.747 0 50 FCAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H](N)[C@@H](C)O)CC1)OCC2 1704299683 QJSIXJANAOXUKO-PXAZEXFGSA-N 364.442 0.802 0 50 FCAA CC(C)[C@@H](NC(=O)CCc1nc2c(O)nc(S)nc2nc1O)C(=O)O 1776003677 DFDSWLZJBDJEEV-MRVPVSSYSA-N 367.387 0.278 0 50 FCAA COc1ccc2[nH]nc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2c1 1857724995 IJOLJSWKJIPARO-MEDUHNTESA-N 368.459 0.256 0 50 FCAA Cc1ncnc(C)c1C(=O)N[C@H]1C[C@H](C(=O)NCc2cnccn2)C[C@@H]1O 2100554912 HLARQJFRSNTUMA-QEJZJMRPSA-N 370.413 0.069 0 50 FCAA CN(C)CCNC(=O)C1CCN(C(=O)C2CC3(CC(CN)C3)C2)CC1 2325795644 RDGDHLCGPBMBMJ-UHFFFAOYSA-N 350.507 0.668 0 50 FCAA CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N1CCC(c2cc(C)no2)CC1 2325819108 RXZSTJNUKHWHBV-ZDUSSCGKSA-N 355.416 0.292 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cnn(-c3ccccn3)c1C)C2 2356147943 ZRZQCWLPOKMPMJ-UGSOOPFHSA-N 356.382 0.837 0 50 FCAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCC[C@H]2CO)CC1 14976525 OOHQOPZUELXEJB-HNNXBMFYSA-N 350.467 0.669 0 50 FCAA CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(C)CC3)N2)cc1 19938233 WBAUKZRLDHEKJY-HNNXBMFYSA-N 357.414 0.320 0 50 FCAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 72162683 HRTVIPFMVKFNEO-OAHLLOKOSA-N 362.430 0.754 0 50 FCAA Cc1cc(C)n(CC(=O)N2CCCN(Cc3ccncc3)CC2)c(=O)n1 82091663 QMFUGTZMGWJCPB-UHFFFAOYSA-N 355.442 0.990 0 50 FCAA COCC[C@]1(O)CCN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C 92096969 KTAJGESNGIPURP-FZKQIMNGSA-N 350.415 0.800 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95360542 VKZHOZJXOLQQEZ-AWEZNQCLSA-N 359.430 0.941 0 50 FCAA CCN(C)c1cc(N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)ncn1 95392001 TXZLJOCSQBLQDF-IAGOWNOFSA-N 363.506 0.682 0 50 FCAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(=O)n(C)c(=O)n1C 95504816 GZYDQZBGPGGYFP-UHFFFAOYSA-N 355.354 0.406 0 50 FCAA Cc1nnnn1-c1ccc(NC(=O)NCCSc2nnnn2C)cc1 96136196 JKACYBHLGXBAAS-UHFFFAOYSA-N 360.407 0.408 0 50 FCAA CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)co1 154668542 WJJACGNXFKRRNS-LBPRGKRZSA-N 366.443 0.968 0 50 FCAA Cc1nn(C(C)(C)C)c(=O)n1CCOc1ccc(S(N)(=O)=O)cc1 155701845 NZVFWXIWPDIFAT-UHFFFAOYSA-N 354.432 0.835 0 50 FCAA COc1cc(OC)c(CN2CCN(C(=O)c3ncn[nH]3)CC2)c(OC)c1 215309840 QTJFCAGXXCXXQH-UHFFFAOYSA-N 361.402 0.789 0 50 FCAA Cc1cnc(C)c(N2CCN(C(=O)COc3ccc4nncn4n3)CC2)n1 244866640 VZRQOMJUCQWTCC-UHFFFAOYSA-N 368.401 0.259 0 50 FCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc(F)c2O)C1 244874772 XHCKJLHVUGROMV-PHIMTYICSA-N 364.377 0.938 0 50 FCAA NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](N)[C@H]2C1 262364811 JVLWLZMQEUCWRY-DLOVCJGASA-N 373.862 0.562 0 50 FCAA O=C(O)C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)CCO1 269053259 WIHDOESPNBONSX-LLVKDONJSA-N 350.396 0.827 0 50 FCAA Cn1cc(S(=O)(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1C(N)=O 280840880 CEQLTOJZFYYMGG-HNNXBMFYSA-N 357.432 0.083 0 50 FCAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)Nc2cnns2)C[C@H]1C(F)(F)F 287402623 SWXGLERQUYLORP-RNFRBKRXSA-N 373.382 0.824 0 50 FCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 299749317 JXVMXQGYKVQXBX-MNOVXSKESA-N 366.336 0.880 0 50 FCAA COCCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1 363250215 KMNIMXGCGGTBAX-HZPDHXFCSA-N 362.478 0.774 0 50 FCAA CCN(C(=O)CN1CCOCC1=O)[C@@H](c1cccnc1)c1nccn1C 366185241 QQNRAZQTYRUXQU-KRWDZBQOSA-N 357.414 0.612 0 50 FCAA Cc1c([C@@H]2[C@@H](C(=O)Nc3nnn(C)c3C)CC(=O)N2C2CC2)cnn1C 886077741 PFRPSBYXSIFJNW-WFASDCNBSA-N 357.418 0.856 0 50 FCAA Cc1cccc(OCC(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1C 1529186290 WUNFSFBABZZWRX-LSDHHAIUSA-N 370.471 0.393 0 50 FCAA CN(C)C(=O)c1cncc(N2C[C@@H]3CN(CC4CCC4)C[C@]3(C(=O)O)C2)n1 1565513730 VKIVGENZOOYIEW-LIRRHRJNSA-N 373.457 0.801 0 50 FCAA O=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2 1772701126 JKRNYCVOYFSISS-ABAIWWIYSA-N 351.384 0.446 0 50 FCAA O=C(NC1CC1)[C@@]12CCCCN1C[C@@H](NS(=O)(=O)C1CCOCC1)C2 1857693630 FMODBMAIWYIVNE-YOEHRIQHSA-N 371.503 0.360 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857698298 KLOXYFIJWBPEQC-UHFFFAOYSA-N 362.455 0.943 0 50 FCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)C3(CO)CC3)CC(=O)N2[C@H]1c1ccccc1 1857733396 IYRQMVKJDOLZKH-ZOBUZTSGSA-N 372.421 0.733 0 50 FCAA O=C(NCCc1cnc[nH]1)c1cn2c(n1)CCN(C(=O)[C@@H]1CCCO1)CC2 1875250753 FCRFPQPAIWQMIK-HNNXBMFYSA-N 372.429 0.142 0 50 FCAA Cc1nc(O)cc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)C4)C[C@@H]3C2)n1 1875332167 MVTDVQRYLNDETF-RWMBFGLXSA-N 358.398 0.390 0 50 FCAA NC(=O)[C@H]1CC[C@H]2OCCN(C(=O)CN3CCOc4ccccc4C3)[C@@H]2C1 1940198117 OKIZHCYJBLKTPA-YXJHDRRASA-N 373.453 0.762 0 50 FCAA CNS(=O)(=O)c1ccccc1CNS(=O)(=O)NCC(F)(F)F 2325749152 SARAPISQVHOQHV-UHFFFAOYSA-N 361.367 0.081 0 50 FCAA NC(=O)C[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2CCCO)CCO1 2325758834 YKMSFLXROLLZMR-INIZCTEOSA-N 372.425 0.514 0 50 FCAA COc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 827660 KBJZSNSJPMHNEH-UHFFFAOYSA-N 358.416 0.329 0 50 FCAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C[C@@H](O)CO)CC1=O 14743294 NJOJJDXQEGJMLQ-MSOLQXFVSA-N 368.449 0.864 0 50 FCAA O[C@H]1CN(CCCn2cccn2)C[C@@H]1N1CCN(c2ccccn2)CC1 19742033 SJIIQSSXMROHJP-ROUUACIJSA-N 356.474 0.536 0 50 FCAA CCn1nc(C)c(NC(=O)CNC2CCN(S(C)(=O)=O)CC2)c1C 65462582 NNLIUOPCUAMUBM-UHFFFAOYSA-N 357.480 0.472 0 50 FCAA C[C@@H](C(=O)NCCN1CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O 72140563 PLZPAAPVPGMVKI-ZDUSSCGKSA-N 373.450 0.429 0 50 FCAA O=C1CC[C@@H](CC(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)N1 72152119 ZBLURQZSSMRKRD-ZDUSSCGKSA-N 352.394 0.990 0 50 FCAA NC(=O)CN1C(=O)[C@]2(CCN(Cc3cccnc3N)C2)c2ccccc21 72170074 INNDEGKBSAZCSF-IBGZPJMESA-N 351.410 0.639 0 50 FCAA CN(Cc1ncc[nH]1)c1nc(N)nc2c1CCN(c1ncccn1)CC2 72435812 TUMVQVLPVSVUNN-UHFFFAOYSA-N 351.418 0.814 0 50 FCAA Cc1cc(C)n(CCCC(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)n1 77287671 VVGJYMSYAZVACP-LJQANCHMSA-N 364.490 0.966 0 50 FCAA O=C(c1cn2ccsc2n1)N1CCOC[C@@](O)(CN2CCCC2)C1 77564187 ZZUMWLSKIOOXDH-MRXNPFEDSA-N 350.444 0.695 0 50 FCAA CNS(=O)(=O)CCNC(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 91390839 KRGSVPJFRJZBQU-HNNXBMFYSA-N 367.471 0.133 0 50 FCAA O=C(Cn1ccnc1-c1ccccc1)N1CCN(C(=O)c2nc[nH]n2)CC1 91587502 XHLSNFXXPIEVGF-UHFFFAOYSA-N 365.397 0.653 0 50 FCAA COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc[nH]c2=O)cc1 91876969 MCCDPBSKMSGYKF-LLVKDONJSA-N 365.411 0.940 0 50 FCAA COC(C)(C)C(=O)N1CC[C@@]2(O)CCN(Cc3nccn3C)C[C@H]2C1 91986090 PPXRALNUVPKHGX-KSSFIOAISA-N 350.463 0.630 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)NCc1nnc2n1CCCCC2 95376058 JPGQSKNFMBHWKI-UHFFFAOYSA-N 370.461 0.233 0 50 FCAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 95516461 WHWILJAXWMOAFL-CQSZACIVSA-N 371.507 0.090 0 50 FCAA CCN1CC2(CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)CC1=O 95521700 SJCSZADDWHSTBE-AWEZNQCLSA-N 350.463 0.045 0 50 FCAA NC(=O)C1(NS(=O)(=O)c2cccc(I)c2)CC1 124645234 SPPFRDLKPQVAHN-UHFFFAOYSA-N 366.180 0.587 0 50 FCAA CN1C(=O)CC[C@H](C(=O)Nc2cnn(CC(N)=O)c2)[C@H]1c1ccccc1 171991289 YLUAQKBSRNHNIY-WMLDXEAASA-N 355.398 0.917 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)cs1 218940258 SNDZGRYYTDJWAU-LFSVMHDDSA-N 360.457 0.436 0 50 FCAA CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@H]2CCN(C)[C@@H]2C)C1 225705960 HFSLKHDSPMFLHB-KFWWJZLASA-N 353.463 0.587 0 50 FCAA C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H]1CN 237509407 LEZZQYCARQGKJS-GXFFZTMASA-N 364.464 0.977 0 50 FCAA CC1CCC(N2C[C@@H](C(=O)N3CCC(O)(C(=O)O)CC3)CC2=O)CC1 262545283 VVAFRWKFJJBMCP-MOKVOYLWSA-N 352.431 0.852 0 50 FCAA Cc1cc(C)n(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)n1 263588402 SZXXHAOUZZPLDI-AWEZNQCLSA-N 359.386 0.720 0 50 FCAA O=C([C@H]1COCCN1CC(F)(F)F)N1CCCN(c2cccnn2)CC1 283078013 NUVNEGGNWIVGOI-CYBMUJFWSA-N 373.379 0.778 0 50 FCAA CN(C(=O)c1cc(C(=O)O)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 299753114 WWNIVHBNJMWHCI-LBPRGKRZSA-N 363.395 0.830 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)NCc1noc([C@@H]2CCCO2)n1 299761099 UTXUSGYDRISZHK-ZDUSSCGKSA-N 373.417 0.150 0 50 FCAA CC(C)N1CCO[C@@H](CC(=O)N2CCN(c3ccnc4nncn34)CC2)C1 299761371 KNYCOBSOBRQWRI-HNNXBMFYSA-N 373.461 0.272 0 50 FCAA CCNC(=O)c1cc(NC(=O)NCCc2n[nH]c(=O)n2C)ccc1Cl 299798107 VJDDKGYZBOQEHS-UHFFFAOYSA-N 366.809 0.876 0 50 FCAA CN(CCO)c1ccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 299802976 SZYJDVHUNDFDAB-DLBZAZTESA-N 357.414 0.693 0 50 FCAA O=C(Cn1cnc2ccsc2c1=O)NCc1nnnn1-c1ccccc1 426489518 IBUCOQIRQLYKLU-UHFFFAOYSA-N 367.394 0.750 0 50 FCAA CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)[C@@H]1NCCc3nc[nH]c31)C2 426595118 YHQWCAVFMUFRNU-OAHLLOKOSA-N 370.461 0.103 0 50 FCAA COCCc1nc(CNC(=O)N2CCN(c3ccccc3)C(=O)C2)no1 534592064 HBKMOYONNFQFQF-UHFFFAOYSA-N 359.386 0.817 0 50 FCAA O=C(NCCn1ccnn1)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 534644083 IMLXOQZQYMIUFZ-AFIMGQEJSA-N 357.414 0.119 0 50 FCAA OCC1(Cn2cnc3c(N4CCOC[C@H]4CC(F)F)ncnc32)COC1 828694018 FUNYYYXDGJCQMM-LLVKDONJSA-N 369.372 0.696 0 50 FCAA CC1CCN(S(=O)(=O)N2CCC(CNC(=O)[C@H]3CCOC3)CC2)CC1 952868875 BPJUPEXDUSOHIK-INIZCTEOSA-N 373.519 0.828 0 50 FCAA Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704302380 IQJOTJIMOYFTRU-GXTWGEPZSA-N 362.473 0.180 0 50 FCAA CCc1cc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc(N2CCOCC2)n1 1704348040 AUGHRHVZHQZHRR-RHSMWYFYSA-N 370.457 0.705 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800414149 LKTWDUXXRUHIKJ-YDZRNGNQSA-N 371.481 0.915 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857701751 VIYLDDRIBCNLLT-UHFFFAOYSA-N 353.382 0.556 0 50 FCAA CCc1nnc(N2C[C@@H](C(=O)NCC3(O)CCOCC3)CC2=O)s1 1857727587 VLOURAUIWDGLRF-JTQLQIEISA-N 354.432 0.111 0 50 FCAA C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2nc[nH]c3ncc(C(N)=O)c2-3)C1 1875339542 NZOVTEFDZOKTND-GMTAPVOTSA-N 358.402 0.304 0 50 FCAA C=CC(=O)N1CCC(C(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 1875364983 YOCULTZBPOXNBJ-UHFFFAOYSA-N 357.476 0.199 0 50 FCAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)c1cc[nH]n1)C2 1875395855 NRBJHNUVOUWACZ-AWEZNQCLSA-N 367.457 0.971 0 50 FCAA O=C1CC(C(=O)NCc2cccc(I)c2)CC(=O)N1 2325792942 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372.487 0.438 0 50 FCAA CC(=O)c1cc(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cs1 1857696039 JGAFRJJUJWLCDE-WMLDXEAASA-N 350.440 0.983 0 50 FCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)C1 1875371797 MJYVLRLEVUBDAW-SJORKVTESA-N 355.438 0.981 0 50 FCAA Cc1cc(C(=O)N2CC3(CO[C@@H](CNC(=O)Cc4ccon4)C3)C2)n[nH]1 1875406687 KAWISBPDBDQZIU-CYBMUJFWSA-N 359.386 0.296 0 50 FCAA O=C(NCc1nnc2ccccn12)C(=O)NC[C@H]1Cc2ccccc2CN1 2325859847 MVTIRWIIDUJRFT-OAHLLOKOSA-N 364.409 0.176 0 50 FCAA CN(C)CCN1C[C@H](C(=O)NCCCn2nnc3ccccc32)CCC1=O 19112357 QWKVEIGFHRVASD-OAHLLOKOSA-N 372.473 0.738 0 50 FCAA Cc1ccc(S(=O)(=O)C[C@H](CN2CCOCC2)N2CCOCC2)cc1 19868864 AMIQBWPCIRTXGU-KRWDZBQOSA-N 368.499 0.802 0 50 FCAA c1cnc(N2CCC[C@@H](Cn3cc(CN4CCCNCC4)nn3)C2)cn1 23214302 VKSLIJZVIIUZTA-MRXNPFEDSA-N 356.478 0.780 0 50 FCAA O=C(O)c1c(S(=O)(=O)NCC2(CO)CCC2)sc2c1CCNC2 67674984 YRNRJBJDLZYYJV-UHFFFAOYSA-N 360.457 0.533 0 50 FCAA CCc1nc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)no1 72408273 QDQUIUPRMATPRJ-SNVBAGLBSA-N 366.447 0.905 0 50 FCAA O=C(CCc1cc2n(n1)CCCNC2)N1CCCO[C@H](Cn2cccn2)C1 72418470 ISDOTCVRUMTLPW-SFHVURJKSA-N 372.473 0.823 0 50 FCAA O=C(CCc1cc2n(n1)CCNC2)Nc1cc(-c2nnn[nH]2)ccc1O 72425120 CDAHSLCNVMOEAI-UHFFFAOYSA-N 354.374 0.443 0 50 FCAA CC(=O)NCCNC(=O)c1cn2cc(-c3cc(C)oc3C)n(C)c(=O)c2n1 72428593 ZUMGEOHNPRIQIT-UHFFFAOYSA-N 371.397 0.776 0 50 FCAA O=C(COc1ccc2c(c1)OCO2)N1C[C@H](O)[C@@H](N2CCCOCC2)C1 72428922 KQYZYHIVSDXJDT-GJZGRUSLSA-N 364.398 0.088 0 50 FCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77421222 KVEQVSNLFLEFBN-LLVKDONJSA-N 356.342 0.347 0 50 FCAA O=C(c1c[nH]nc1-n1cnnn1)N1CCC[C@H](OCc2ccccn2)C1 77427505 OEWQNLIQQOVHSL-ZDUSSCGKSA-N 354.374 0.602 0 50 FCAA CCC[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1NC(C)=O 82083435 XSGMOXDQLNICNM-IAQYHMDHSA-N 366.443 0.782 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1nc3ccccc3n1)C2 91270143 SGDGKXBCRYHBQI-QWHCGFSZSA-N 363.443 0.314 0 50 FCAA Cc1cc(C(=O)N2CCn3nc(CCC(=O)NCCO)cc3C2)cs1 91381904 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CC(C)CN1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)[C@@H](C)C1=O 330608945 RFQQLLRZIJCHNJ-NSHDSACASA-N 356.448 0.001 0 50 FCAA O=C(Cn1cccnc1=O)N1CCCN(C(=O)c2ccccc2F)CC1 361672471 UFNGNBGDBBUYJI-UHFFFAOYSA-N 358.373 0.757 0 50 FCAA Cc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)cc1OCCCN 426388101 AZWXMUSZANVOOJ-LJQANCHMSA-N 361.442 0.796 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)N(CCO)Cc2ccccc2)C1 534660292 YDEILWVJDUMDRV-INIZCTEOSA-N 369.487 0.862 0 50 FCAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(=O)n(C)c(=O)n1C 823635010 YOMASZWIKDSBDN-UHFFFAOYSA-N 355.354 0.406 0 50 FCAA CNS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1OC 886027755 RMQSQCHTKDIJMB-TXEJJXNPSA-N 371.415 0.235 0 50 FCAA O=C(NCc1cccc(N2CC=CC2)c1)c1cn([C@@H]2COC[C@H]2O)nn1 888093574 HWPVGXFWSGIKHQ-IAGOWNOFSA-N 355.398 0.517 0 50 FCAA CN(C)c1ncc(C(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)cc1Cl 952851328 XXLCENACNXYHKF-BZNIZROVSA-N 352.822 0.765 0 50 FCAA CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 952983824 QYGVBGFKVNKFPO-HNNXBMFYSA-N 365.455 0.870 0 50 FCAA COCC(=O)N1CCN(Cc2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1565512758 JGWCRXQLKUILOZ-SJORKVTESA-N 366.483 0.760 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1nn(C)c2ccccc12 1704342350 NNNXJIOXIAQYDT-WCQYABFASA-N 366.443 0.210 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3CC[C@@]4(CNC(=O)CO4)C3)CC2)c1 1772813777 SSMGLNRQDGIRSR-HXUWFJFHSA-N 372.469 0.235 0 50 FCAA CN1CCN(C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC12CCOCC2 1775983110 HTTXYVOOWKQHTO-GOSISDBHSA-N 374.485 0.778 0 50 FCAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3cc(=O)n4[nH]cnc4n3)CC2)O1 1857697712 JNPHRTANAWWDDR-HUUCEWRRSA-N 361.446 0.948 0 50 FCAA O=C(O)c1cccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857724823 FLYGAJQLINMIGD-OFQRWUPVSA-N 366.439 0.915 0 50 FCAA CCN(CCCNC(=O)Cc1cnc2c(C)cccn12)S(C)(=O)=O 1875272005 CNAGOBJLSAWJDM-UHFFFAOYSA-N 352.460 0.973 0 50 FCAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 1875313513 SUWWSWLMGUXMSP-JTQLQIEISA-N 365.415 0.219 0 50 FCAA Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCCC(CO)(CO)C1 2325826197 SZTUWFICAFNWSK-UHFFFAOYSA-N 359.430 0.619 0 50 FCAA COc1ccccc1[C@H](N)CNC(=O)c1cccc(-n2[nH]nnc2=N)c1 2325851725 HJKJDBVAHCWQKC-CQSZACIVSA-N 353.386 0.513 0 50 FCAA CO[C@@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@H]1NC(=O)c1ncc[nH]1 2356134022 TUUJCASNJHFDPP-BFHYXJOUSA-N 360.418 0.336 0 50 FCAA Cc1nn(CC(=O)NC[C@H](O)c2cccc(O)n2)c(=O)c2ccccc12 2356156382 ZKZVRPSOAFGJJS-HNNXBMFYSA-N 354.366 0.655 0 50 FCAA COC(=O)c1cc(NC(=O)[C@H]2CC(=O)n3ncnc3N2)cc(C(=O)OC)c1 2356554 VLTPUYJXPXPVBJ-LLVKDONJSA-N 373.325 0.314 0 50 FCAA COc1ccc(CCN2C[C@H](C(=O)Nc3nc[nH]n3)CC2=O)cc1OC 20729455 QTRMDXCGBOUJIQ-GFCCVEGCSA-N 359.386 0.852 0 50 FCAA CCCCC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)NC)cc1 65458244 KTUMPJSGLLZKDL-OAHLLOKOSA-N 374.441 0.892 0 50 FCAA Cn1cnnc1CCNC(=O)[C@@]12CNC[C@@H]1CN(Cc1ccccc1)C2 65502333 UBCLBHWPMGMHIR-VQIMIIECSA-N 354.458 0.195 0 50 FCAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCCNCC3)C2=O)c1 67805336 ORRMALYBBOPPJD-LJQANCHMSA-N 365.449 0.983 0 50 FCAA 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CCc1ccccc1S(=O)(=O)N1CCC[C@@H](N2CCNCC2=O)C1 193312105 BOVIXZDYDRDSLP-OAHLLOKOSA-N 351.472 0.834 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)Cn2cncn2)cc1 222860454 YNHUARPJGXAVCP-GFCCVEGCSA-N 351.432 0.324 0 50 FCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2c(O)cccc2F)C1 243893382 AQSISNBXDBCJAG-PHIMTYICSA-N 364.377 0.938 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCN(c2nsc3ccccc23)CC1 244873450 WQPCYTXSFIQNOG-UHFFFAOYSA-N 368.484 0.884 0 50 FCAA O=C(c1ccc(-n2cnnn2)cc1)N1CCCO[C@@H](CN2CCCC2)C1 252504512 VJQXDIHOYNLLRZ-KRWDZBQOSA-N 356.430 0.989 0 50 FCAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 269782858 AUWDHNFFVUPIEE-CVEARBPZSA-N 356.430 0.796 0 50 FCAA Nc1nc(O)cc(N2CCC(NC(=O)Cc3cn4ccsc4n3)CC2)n1 299773336 FBBVVFBVQABQNN-UHFFFAOYSA-N 373.442 0.801 0 50 FCAA O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1[C@H]2CC[C@H]1[C@@H](CO)C2 332892311 JMEKMBXWTWPPNG-VOAKCMCISA-N 351.369 0.804 0 50 FCAA O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@H]1Cn1cncn1 363280924 TXQARWXNXMZAOX-INIZCTEOSA-N 355.446 0.486 0 50 FCAA 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0.343 0 50 FCAA CCC1(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)CC1 888102165 KPBZCNMFWGCLIZ-ZDUSSCGKSA-N 373.475 0.793 0 50 FCAA O=C(CC1(n2cccc2)CCSCC1)N[C@H]1CS(=O)(=O)C[C@@H]1O 888104936 QUKOVQHXXWEDIS-STQMWFEESA-N 358.485 0.375 0 50 FCAA CCn1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)cc1=O 1565508313 BODJBEDKYXDQGI-IRXDYDNUSA-N 374.441 0.838 0 50 FCAA Cn1cccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)c1=O 1565515668 DAIHAEBNJFWTCZ-HOTGVXAUSA-N 371.393 0.451 0 50 FCAA Cc1csc(S(=O)(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c1 1704339824 NAFRYUVLAQFEGU-RYUDHWBXSA-N 360.457 0.462 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N2CCOC3(CCN(C)CC3)C2)cc1 1772809515 CWKCQCKJOUYNSJ-UHFFFAOYSA-N 370.457 0.836 0 50 FCAA Cn1cncc1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857668581 HREOTBGOSNWZTP-RYUDHWBXSA-N 362.411 0.374 0 50 FCAA NC(=O)NCC(=O)N1CC[C@]2(C1)Cn1c(nnc1Cc1ccccc1)CO2 1857690393 AKDXUGQGVSBOIC-SFHVURJKSA-N 370.413 0.039 0 50 FCAA COc1ccc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c(OC)c1 1857727947 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OTQNLCXWYFBNER-UHFFFAOYSA-N 362.434 0.890 0 50 FCAA O=C1NC[C@]2(CCCN(C(=O)NCc3cccnc3-n3cncn3)CC2)O1 584894157 XERCLTCLCUSDAO-QGZVFWFLSA-N 371.401 0.836 0 50 FCAA CN(Cc1ncc[nH]1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529112735 QRVYYLWOLRXIKE-SJORKVTESA-N 355.398 0.894 0 50 FCAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccnn1CCO 1565529576 AHKGUBULPCYTFT-JSGCOSHPSA-N 352.416 0.436 0 50 FCAA Cc1cc2c(cc1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1)OCCO2 1616074574 NHPKXIJBOLVGKG-CABCVRRESA-N 370.471 0.450 0 50 FCAA O=C1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCN1 1704312380 QIRXIOLFQLNNDT-UHFFFAOYSA-N 356.382 0.750 0 50 FCAA COCc1nnc(N2C[C@H](C(=O)NCCCC(=O)OC)CC2=O)s1 1857671686 XIGYVAIUPIPCPN-SECBINFHSA-N 356.404 0.107 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)CCc2cnccn2)[C@H]1c1cnn(C)c1 1857734836 UOMVOTMYFDZZKN-WMZOPIPTSA-N 358.446 0.673 0 50 FCAA CCS(=O)(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1857798049 LQPNHPQFAOATJQ-GFCCVEGCSA-N 351.384 0.209 0 50 FCAA CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1ncn2C[C@H](O)CO 1875269139 ILVAHRWFLVNCKA-ZDUSSCGKSA-N 371.397 0.587 0 50 FCAA C[C@H](C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)S(N)(=O)=O 1875336292 BZUIKXZUVBACIH-WPGHFRTFSA-N 358.435 0.693 0 50 FCAA Cn1nnnc1N1C[C@@]23CCCC[C@]2(CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)C3)C1 1875405083 PDUMBBBMTRBQLV-AJRPESIASA-N 358.446 0.312 0 50 FCAA COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)n2)cc1 2100482301 PIPHMVXAZLZVTN-CYBMUJFWSA-N 372.429 0.829 0 50 FCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 2100483659 HFNIIAJSPOLKCA-LLVKDONJSA-N 374.445 0.192 0 50 FCAA CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)Cn1ccc(=O)c(O)c1C 2325870037 GXVXQJJGQKOFID-CQSZACIVSA-N 359.382 0.548 0 50 FCAA O=C(O)CCCNC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325895735 IBUMQQJHZRTJFZ-CYBMUJFWSA-N 373.365 0.042 0 50 FCAA CC1(C)CN(C(=O)c2c[nH]c(=NCC34C5C6C7C5C3C7C64)cn2)CCN1 2332239494 XOKYQYLIZDKCBG-UHFFFAOYSA-N 351.454 0.502 0 50 FCAA CCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl 6697858 HGECEKJXVXQBIM-UHFFFAOYSA-N 350.824 0.780 0 50 FCAA CCc1cc(C(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)n(C)n1 23145553 UULMDBRGGVZICD-HNNXBMFYSA-N 374.445 0.102 0 50 FCAA CNS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 55060899 UQTCIVAIPQCJKC-CQSZACIVSA-N 353.444 0.009 0 50 FCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1csc(-c2ncccn2)n1 65430757 CVIOAEIDSMWTFI-CYBMUJFWSA-N 374.470 0.815 0 50 FCAA CN1C(=O)[C@@H]2CN(C(=O)c3cc(COc4cccc(F)c4)[nH]n3)C[C@@H]2C1=O 67588058 SXELVFCMBADEPM-OKILXGFUSA-N 372.356 0.815 0 50 FCAA CCn1c(CC2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn(C)c1=O 67756637 XRMYJQSLBZVUEM-UHFFFAOYSA-N 358.446 0.908 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1cc(C)ccc1OC 67868661 KLJFGNUMBRSHDE-KGLIPLIRSA-N 369.487 0.962 0 50 FCAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)Cc1c(C)nc(N)nc1C)C2 71589688 ORVZPOQGSPVHEF-UHFFFAOYSA-N 355.446 0.967 0 50 FCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](C)n1cnc3ccccc3c1=O)C2 71745227 UROKIPIOLBIDJE-NSHDSACASA-N 365.393 0.934 0 50 FCAA O=C1NC[C@]2(CCCN(C(=O)CCN3C(=O)COc4ccccc43)C2)O1 72130924 RAHJFYUGNCDOOW-SFHVURJKSA-N 359.382 0.903 0 50 FCAA O=C1NC[C@@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]c3=O)C2)O1 72168237 WZMFKQQBRCNPMV-GOSISDBHSA-N 356.382 0.957 0 50 FCAA CN(C)C(=O)N1CCN(Cc2c(F)cccc2F)[C@H]2CS(=O)(=O)C[C@H]21 77297813 WDTBCKPEPMYETL-LSDHHAIUSA-N 373.425 0.930 0 50 FCAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1c[nH]nc1-n1cnnn1 77338784 YZMWVXAVSSEIPE-UHFFFAOYSA-N 352.318 0.103 0 50 FCAA CN(C)CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2C1 77393915 RLCKKBNVDXJLHT-HNNXBMFYSA-N 367.471 0.200 0 50 FCAA Cc1ncsc1CN1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77539239 STAKLGHQZIOLBI-QWHCGFSZSA-N 365.484 0.729 0 50 FCAA Cn1ncc(N2CC[C@@H](CNC(=O)COc3cccc(F)c3)C2)cc1=O 77554428 LQHGLQXKFFLRKU-ZDUSSCGKSA-N 360.389 0.941 0 50 FCAA COCC[C@]1(C(=O)O)CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 91254630 PDLMBIYNAAOOQS-QGZVFWFLSA-N 351.403 0.659 0 50 FCAA COc1cc(OC)cc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1 91819542 NDWPFOMAOPDHRH-HZPDHXFCSA-N 364.442 0.717 0 50 FCAA COCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1 95517939 ORIAIJDLOWOWGJ-HNNXBMFYSA-N 364.398 0.389 0 50 FCAA COCC(=O)N1CCC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1 95528498 USDVBYFBDCJNAY-ZDUSSCGKSA-N 352.460 0.677 0 50 FCAA COCCc1noc(CNC2CCN(c3ncnc4[nH]cnc34)CC2)n1 96133197 LPVLMGFZJYUUBZ-UHFFFAOYSA-N 358.406 0.683 0 50 FCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnn3)CC2)cc1C 175123733 JDCPFFRNJQEXMJ-UHFFFAOYSA-N 363.443 0.428 0 50 FCAA OC[C@H](O)c1cc2n(n1)CCN(Cc1cnc(N3CCCCC3)nc1)C2 221248980 BTJBEOZVZOJMAR-KRWDZBQOSA-N 358.446 0.705 0 50 FCAA Cn1c(-c2ccc(F)cc2)c(-c2c(O)n(C)c(=O)n(C)c2=O)n(C)c1=O 238923549 OSZUSPMDVXEQRD-UHFFFAOYSA-N 360.345 0.300 0 50 FCAA CCN1CC[C@H]2OCCN(C(=O)Cn3cc(Br)cn3)[C@H]2C1 293942771 RCQFCQSUXKHGSM-QWHCGFSZSA-N 357.252 0.967 0 50 FCAA Cc1ccc2c(c1)c(C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1)nn2C 299772342 YYBGGTALEHXQPW-LBPRGKRZSA-N 366.443 0.272 0 50 FCAA CN(Cc1nnc2n1CCOC2)C[C@]1(O)CCN(Cc2ccccc2)C1 366622453 APBCYBCEYJFGDY-LJQANCHMSA-N 357.458 0.877 0 50 FCAA Cc1nc2n(c1CN1CCN(C[C@@H](O)Cn3cccn3)CC1)CCCC2 371777760 LFHCUSWZWODXPV-QGZVFWFLSA-N 358.490 0.903 0 50 FCAA Cc1onc(N)c1S(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 377871308 YNSMLTWKXBVZPZ-STQMWFEESA-N 351.432 0.932 0 50 FCAA Cn1c(CN=c2cc([C@H]3CCOC3)[nH]c(=NCCO)[nH]2)nc2ccccc21 426529215 GZZCNVVPGYYQRM-ZDUSSCGKSA-N 368.441 0.727 0 50 FCAA Cc1ccn2c(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)c(C)nc2c1 426548750 JILLBJTZJDKCPI-UHFFFAOYSA-N 368.441 0.973 0 50 FCAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cccc(OCC(N)=O)c1)C2 1073372476 SLSSPPFXBGWYMW-HIFRSBDPSA-N 374.441 0.769 0 50 FCAA Cn1cnnc1SCC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 1506402283 VVLKXTDZUDTCMX-CYBMUJFWSA-N 350.448 0.613 0 50 FCAA Cc1sc2ncnc(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2c1C 1529144018 CLCIKLZXOGBRBU-NWDGAFQWSA-N 370.500 0.997 0 50 FCAA CC(C)(CN1CC[C@H](CNC(=O)N2CCCC2)[C@@H](O)C1)N1CCOCC1 1565508077 VKWHEFQKKKVUOQ-SJORKVTESA-N 368.522 0.585 0 50 FCAA CN1CCN(c2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N(C)C)cc2)CC1 1565510711 YPORVKLWNULONF-RDGPPVDQSA-N 358.486 0.886 0 50 FCAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1ccc(O)nc1=O)C2 1565512684 WZLMZNPHIRDJBE-CABCVRRESA-N 374.441 0.755 0 50 FCAA CCn1ncc(C(=O)N[C@H]2CCC[C@@H](CNS(=O)(=O)N(C)C)C2)c1C 1857680523 OXDINHDCMVQFTM-KGLIPLIRSA-N 371.507 0.896 0 50 FCAA Cc1cc(F)ccc1C(=O)NC[C@H]1[C@H]2CN(CC(N)=O)C[C@]23CC[C@H]1O3 1857736649 VBNXSDPVIBQPOK-WFXMFSGNSA-N 361.417 0.829 0 50 FCAA O=C1CC[C@@H](N2Cc3c(NC(=O)C(F)(F)F)cccc3C2=O)C(=O)N1 1857798007 JDDHNCDCNZFYFC-SNVBAGLBSA-N 355.272 0.948 0 50 FCAA O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H](O)CN1CCCC1=O 1875260942 ZYFPUYNVFBZFKL-BXUZGUMPSA-N 363.439 0.589 0 50 FCAA COC(=O)/C=C/C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1875378896 HXMUQPGBDBGSBC-BQYQJAHWSA-N 366.439 0.826 0 50 FCAA Cc1ncn(CCNC(=O)C(=O)NCc2cn3c(C)cccc3n2)c1C 2325808728 DLDAOBUXADJWOD-UHFFFAOYSA-N 354.414 0.889 0 50 FCAA NCCCCCCOc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325898989 HTYBVSHYRRNSJQ-OAHLLOKOSA-N 373.409 0.986 0 50 FCAA CC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 1868321 AOXWFNZULWDFNK-CQSZACIVSA-N 368.271 0.372 0 50 FCAA NC(=O)CSc1nc(NCc2ccccc2)nc(N2CCOCC2)n1 4820304 KKABLLVHBFIUBJ-UHFFFAOYSA-N 360.443 0.898 0 50 FCAA CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccs1 4856487 IWJZMWXXLWXWNA-JTQLQIEISA-N 369.468 0.905 0 50 FCAA COc1ccc(C(=O)CCC(=O)N2CCn3c(C(N)=O)cnc3C2)cc1 65532668 GBNAKCXCZZZIKE-UHFFFAOYSA-N 356.382 0.996 0 50 FCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ncc[nH]1 72143868 ZEANXRWPPDUYHF-HNNXBMFYSA-N 371.441 0.815 0 50 FCAA CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn3c(n2)CNCC3)cc1 72148542 UCEAMTYKYWWZIU-UHFFFAOYSA-N 363.443 0.167 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72169401 UXCKSLSLFYHSHE-KRWDZBQOSA-N 365.499 0.627 0 50 FCAA NC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72422298 MJNPXDDTYHDKNL-DZGCQCFKSA-N 359.430 0.132 0 50 FCAA Cc1cc(CN(C)c2ncnc3c2CCN(S(C)(=O)=O)CC3)n[nH]1 72453761 MOQONOZQYPQTQL-UHFFFAOYSA-N 350.448 0.505 0 50 FCAA CC(C)Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)[nH]n1 77457423 SEHIRUGNWSVNHB-CZUORRHYSA-N 372.429 0.404 0 50 FCAA CC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)nn(C)c1Cl 82121827 ZUUDMFLTDMYLHM-UWVGGRQHSA-N 352.819 0.619 0 50 FCAA COCCN1CC[C@@]2(CCC1=O)CN(c1ncnc3[nH]cnc13)CCN2C 91440271 SXAOKVMFRRHSDS-SFHVURJKSA-N 373.461 0.502 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccnc1)CC2 92099213 GQBCLSIXRRYVKP-UHFFFAOYSA-N 372.429 0.155 0 50 FCAA O=C(CCN1CCOCC1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95368648 BJMAMVVIXPAGNQ-OXJNMPFZSA-N 374.437 0.873 0 50 FCAA Cc1ccc(C(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c(C)c1 96138340 ICKVYVHFFMFVDR-CXAGYDPISA-N 366.439 0.722 0 50 FCAA CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)[nH]n2)c1C 170625388 NOPDFVCADNZJGE-NSHDSACASA-N 351.432 0.827 0 50 FCAA Cc1ccc(S(=O)(=O)CCNC(=O)[C@]23CNC[C@H]2CN(C)C3)cc1 210213537 SFNAQVJIJJUVNO-YOEHRIQHSA-N 351.472 0.036 0 50 FCAA COCC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(=O)nc[nH]3)C2)CC1 215349180 KATZYBSAYZPZKF-CQSZACIVSA-N 362.430 0.361 0 50 FCAA Cc1cc(=O)[nH]c(NCCNC(=O)Cn2c(C)cc(=O)c3ccccc32)n1 223643972 JOBYKAWXSNEVIF-UHFFFAOYSA-N 367.409 0.930 0 50 FCAA O=C(CN1CCOC1=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 247769896 NPWSWNNMZJZYRU-YPMHNXCESA-N 364.427 0.545 0 50 FCAA O=C(Cc1cccc2ccccc12)NCC(=O)N1CCO[C@@H](C(=O)O)C1 262892065 AKQACRLWNJCGOU-MRXNPFEDSA-N 356.378 0.811 0 50 FCAA NC(=O)COc1ccc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299757361 IDKFOPZLIYIZGD-GJZGRUSLSA-N 357.370 0.128 0 50 FCAA Cc1nnc(SCC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1 299762701 WUCHADVDTNHCMI-UHFFFAOYSA-N 369.472 0.824 0 50 FCAA NC(=O)[C@H]1CCCN(CCCNC(=O)Nc2cccc(-n3cnnc3)c2)C1 299770598 VSEDPZHIOVMLIL-AWEZNQCLSA-N 371.445 0.976 0 50 FCAA CCCCc1nc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c[nH]1 299779289 QLINIQJQNZRKGK-ZIAGYGMSSA-N 359.496 0.084 0 50 FCAA CCc1cc(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)[nH]n1 299801973 ZMOWAXRTZAKGBA-UHFFFAOYSA-N 369.491 0.851 0 50 FCAA Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCCS3(=O)=O)C[C@H]2CO)cn1 333158244 HXYLTLVRBVUTFY-ZNMIVQPWSA-N 370.475 0.105 0 50 FCAA Cc1csc(CNS(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)n1 670467158 YMDSTHHAOSOYKF-UHFFFAOYSA-N 366.424 0.883 0 50 FCAA CCN(c1ncnc2c1ncn2CC1(O)CCOCC1)[C@H]1CCNC1=O 888097969 VYLGYBZJLFDFMO-LBPRGKRZSA-N 360.418 0.083 0 50 FCAA Nc1nnc([C@@]23COC[C@@H]2CN(C(=O)Cc2ccc(F)cc2F)C3)o1 952848643 FQYOBDCVACRAFP-QFYYESIMSA-N 350.325 0.899 0 50 FCAA CCOC(=O)c1coc(N2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)n1 1565508814 UISIHBKPDWGFTQ-NEPJUHHUSA-N 374.463 0.708 0 50 FCAA NC(=O)CO[C@H]1COCC[C@@H]1NC(=O)CCc1ccc2c(c1)OCO2 1565514477 NKKUXYXODHMQIZ-WFASDCNBSA-N 350.371 0.124 0 50 FCAA Cc1cccc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)c1 1565516996 XZYQBFCXYJWOQV-CVEARBPZSA-N 372.450 0.913 0 50 FCAA Cc1cc(C(=O)N[C@H]2CCN(Cc3cnc(NC(C)C)nc3)C[C@@H]2O)no1 1565529195 OFHFQAPHFALOOW-HOCLYGCPSA-N 374.445 0.959 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)CN1Cc3ccccc3C1)C2 1704325619 QRWREUFWJDFFAT-YOEHRIQHSA-N 359.426 0.246 0 50 FCAA COc1nc2c(cc1CN1CC[C@@]3(CNC(=O)CO3)C1)C(=O)N(C(C)C)C2 1772804736 SBXOMCGLGCJUGS-LJQANCHMSA-N 374.441 0.545 0 50 FCAA CC(C)N1CCC(CC(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857686636 AMFJJGPYDBNFPZ-VQIMIIECSA-N 351.491 0.987 0 50 FCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cn1nc(-c2ccccc2)nc1[C@H](C)N 1857688086 SRKFLQGHZDXPRC-YUTCNCBUSA-N 373.413 0.100 0 50 FCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cccc(OCCO)c3)C[C@@H]12 1857712716 NNBZDJGUMMQHGC-BBWFWOEESA-N 354.472 0.217 0 50 FCAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCC(=O)O)CC(=O)N2[C@H]1c1ccccc1 1857740136 AANFBMWLBYTEFC-DEYYWGMASA-N 374.393 0.825 0 50 FCAA NC(=O)c1cccc(OCC(=O)O[C@H](Cc2ccc(F)cc2)C(N)=O)c1 1875259229 IXAOLPVPVYUZKT-OAHLLOKOSA-N 360.341 0.943 0 50 FCAA C[C@@]1(c2ccccc2)CN(c2ncnc3c2ncn3C[C@@H](O)CO)CCO1 1875269083 DPXLHXIWWJGDLX-BEFAXECRSA-N 369.425 0.932 0 50 FCAA O=C(NCc1ccccc1OCCO)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 1875269794 CPJJAKKZANSLEJ-JKSUJKDBSA-N 362.426 0.605 0 50 FCAA O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@H](CO)C2(COC2)C1 1875296287 NWIFWEURGGSKND-SNVBAGLBSA-N 359.348 0.858 0 50 FCAA COc1cccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3NC(=O)C[C@@H]3C)C2)c1C 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358.490 0.684 0 50 FCAA CN(C)[C@@H]1[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)[C@H]2CCO[C@H]21 223166145 PPJIHVILVMSYRH-AQNFWKISSA-N 354.428 0.454 0 50 FCAA Cc1cnc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)cn1 82109214 ZBEBATZZUDDTPZ-UHFFFAOYSA-N 364.431 0.077 0 50 FCAA CC(C)C(=O)NCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 223923356 YVKPIWRCNIPJAX-HUUCEWRRSA-N 364.398 0.810 0 50 FCAA Nc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)nc(N2CCOCC2)n1 426536547 SJWCEMJNCLYBIR-HNNXBMFYSA-N 369.425 1.081 0 50 FCAA COc1ccccc1CN1C[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)CCC1=O 92001674 QKAYQNOTWXTZFW-GFCCVEGCSA-N 359.386 0.162 0 50 FCAA Cc1ncn(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)c1C 91876743 ZRLMGSATGPDZSL-LJQANCHMSA-N 364.490 0.822 0 50 FCAA Cc1nn(CC(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1Cl 95356811 FEJGQNOEKHXLSV-HUUCEWRRSA-N 369.897 0.159 0 50 FCAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 244605579 FBFBUBDTDHJCIH-HAQNSBGRSA-N 356.386 0.821 0 50 FCAA COCCCNC(=O)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1 263617851 QAOPGQLHOSTLBS-UHFFFAOYSA-N 357.414 0.791 0 50 FCAA CC(C)CC(=O)N1CCC(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 820906050 JZTQEGUHMYKXIR-CYBMUJFWSA-N 366.505 0.130 0 50 FCAA O=C(N[C@H]1CCN(c2nnnn2-c2ccccc2)C[C@@H]1O)c1ccccn1 1565527996 VQEABTCKLFNMFW-HOCLYGCPSA-N 365.397 0.427 0 50 FCAA CN(C)CCN(C[C@H]1CCCO1)S(=O)(=O)N1CCC(C(=O)O)CC1 1506398561 RSKWAKHEEIDAAD-CQSZACIVSA-N 363.480 0.070 0 50 FCAA Cc1ccsc1CN1CCN2C(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H]2C1 14534226 NLVMNWCWQBBFKI-UONOGXRCSA-N 359.455 0.534 0 50 FCAA CC(=O)N1CCc2cc(C(=O)N3C[C@@H]4COCC[C@@]4(C(N)=O)C3)ccc21 1857532998 NZZFCRLXCTZORA-DNVCBOLYSA-N 357.410 0.560 0 50 FCAA C[C@H]1COC[C@H]2CN(C(=O)CCS(=O)(=O)c3ccccc3)CCN12 1857725473 YBKQAWWJEGLSTR-LSDHHAIUSA-N 352.456 0.782 0 50 FCAA O=C(CCO)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857731305 PDSYZZBUPHWTEU-SFHVURJKSA-N 362.430 0.208 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@H]2O)n[nH]1 1857738386 FZFQEEUMORLRFU-CXAGYDPISA-N 352.398 0.974 0 50 FCAA Cc1cnc(C(=O)N2C[C@H]3COC[C@@H]2CN(CCCn2cccn2)C3)cn1 1704326027 TYRADTXKIXJXOD-IRXDYDNUSA-N 370.457 0.845 0 50 FCAA Cn1cnc(S(=O)(=O)NN2CCN(CC(F)(F)F)C2=O)c1Cl 1875264985 YLKPWVUZKRSDAB-UHFFFAOYSA-N 361.733 0.567 0 50 FCAA Cc1nc(=N)[nH]c(=NC[C@H]2CC(C)(C)CC[C@@H]2NC(=O)c2ncc[nH]2)[nH]1 1875408221 RAIYKOUPODSGDB-NEPJUHHUSA-N 358.450 0.774 0 50 FCAA CS(=O)(=O)Nc1ccccc1NC(=O)Cn1cc(S(C)(=O)=O)cn1 2325822200 JDMBFVYONJYBBD-UHFFFAOYSA-N 372.428 0.297 0 50 FCAA Cc1cc(NC(=O)Cn2ccc(C(=O)Nc3cc(C)n(C)n3)n2)nn1C 20617771 QJGAASHTBFWPEB-UHFFFAOYSA-N 356.390 0.858 0 50 FCAA CCC[C@@H]1COCCN1Cc1cn(C2CCN(S(C)(=O)=O)CC2)nn1 63872434 WSDCUUIDJHDGBG-MRXNPFEDSA-N 371.507 0.876 0 50 FCAA CCc1nc(C)c(CC(=O)NCc2cccnc2N2CCOCC2)c(=O)[nH]1 67805776 ARLXAMDVEGRZIF-UHFFFAOYSA-N 371.441 0.731 0 50 FCAA CCOc1ccccc1CN1CCN(C(=O)CNC(N)=O)C[C@@H]1CCO 72409039 QJUIKNJOUMJEKW-HNNXBMFYSA-N 364.446 0.149 0 50 FCAA O=C(O)CN1CCN(CCSc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 77439978 RFMXGCLAVKWVDY-LSDHHAIUSA-N 370.496 0.647 0 50 FCAA Cc1nn(CC(=O)N[C@@H]2CCc3[nH]ncc3C2)c(=O)n1Cc1ccccc1 77470698 INNYMZAKIJEDQQ-MRXNPFEDSA-N 366.425 0.798 0 50 FCAA Cc1cc(N)n(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)n1 91425490 QYNRZCPJCFXCQF-GOEBONIOSA-N 368.441 0.818 0 50 FCAA CCN(C(=O)c1cnc(-c2cccnc2)nc1O)[C@@H]1CCS(=O)(=O)C1 91695850 XDPHACPZMBEBHQ-GFCCVEGCSA-N 362.411 0.893 0 50 FCAA C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)N1CCN(C)CC1 132321373 MFGGESNNMJINFP-SJLPKXTDSA-N 358.486 0.930 0 50 FCAA O=C(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)NC1CCCC1 158723933 MHMXCLUMBUTGRZ-UHFFFAOYSA-N 374.489 0.494 0 50 FCAA O=C(NCCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccn[nH]1 180942733 FERXONCNAVTIGR-MRXNPFEDSA-N 369.425 0.489 0 50 FCAA CN(CC(=O)NCc1c[nH]nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 219089877 NQJDCNFAQZNGLL-HNNXBMFYSA-N 362.455 0.812 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccccc1C(=O)O)C2 220163152 CIWJDKXOJBJGMS-CABCVRRESA-N 359.426 0.896 0 50 FCAA CN1CCC(CNC(=O)CCNS(C)(=O)=O)(c2ccccc2)CC1 223227327 VPJRNJOKHNJHJP-UHFFFAOYSA-N 353.488 0.706 0 50 FCAA O=C(C1CCN(Cc2ccco2)CC1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 247859127 LZBLJZUAWIVZKG-CVEARBPZSA-N 367.471 0.089 0 50 FCAA COCC1CCN(S(=O)(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)CC1 299796975 QKHONCYVKZRSMZ-GJZGRUSLSA-N 371.463 0.027 0 50 FCAA CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1cn2c(n1)CCCC2 328621792 HYLAFVYQYCLCCO-UHFFFAOYSA-N 354.476 0.994 0 50 FCAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1cc(Cl)cnc1N)C2 328625014 KGDZGRRXCRLIMN-UHFFFAOYSA-N 355.807 0.158 0 50 FCAA COCc1nc([C@@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)n[nH]1 329545741 GVTTUXZXVVXACW-NSHDSACASA-N 357.436 0.040 0 50 FCAA Cn1nnnc1N1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 365176115 GHDYMNYEXIKKGO-KSSFIOAISA-N 354.414 0.599 0 50 FCAA O=C(NCCc1ccccc1F)N1CCCN([C@H]2COC[C@@H]2O)CC1 426445195 YYAFBTPEQFYNEK-IRXDYDNUSA-N 351.422 0.845 0 50 FCAA CN1CCN(C)CC(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)C1 823783792 NDNLNWBSCLGJMK-UHFFFAOYSA-N 370.457 0.420 0 50 FCAA O=C(N[C@@H]1C[C@H](O)c2ccccc21)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 862189978 HKYJZVFIWIVBDU-LTIDMASMSA-N 360.410 0.687 0 50 FCAA Cn1cc(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)cn1 888094553 BEXRBNPTQITVFF-DLBZAZTESA-N 355.442 0.597 0 50 FCAA C[C@@H](C1CCN(C(=O)/C=C/c2cnc(N)nc2)CC1)N1CCN(C)CC1 952989833 DGRNBXFAIUWGPF-BWPKMQGJSA-N 358.490 0.947 0 50 FCAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccn2nnnc2c1 1565506734 AWNNRURTCDXWQY-STQMWFEESA-N 360.399 0.685 0 50 FCAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2 1565512118 BDWDYRCTBQZBPI-ZBFHGGJFSA-N 358.442 0.943 0 50 FCAA O=C(N[C@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1O)c1cnccn1 1565513282 GTNILMHHXUSRFD-BBRMVZONSA-N 368.397 0.825 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1scc3c1OCCO3)C2 1704304248 BPCGTTLLHXQAOE-QWRGUYRKSA-N 368.411 0.377 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(-n3cccn3)cc1)C2 1704333512 APBWKPWCSRJZFB-YOEHRIQHSA-N 370.409 0.730 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCCN(C(=O)c3cncc(Cl)c3)CC2)CN1 1704337554 XDAKRUPOSGDBLY-GFCCVEGCSA-N 364.833 0.936 0 50 FCAA COCCn1cnnc1CCNS(=O)(=O)c1cnc2ccccn12 1775981409 SSQWUZJNCPBORO-UHFFFAOYSA-N 350.404 0.093 0 50 FCAA COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857672340 SGTCIOUNNCJXPJ-AAEUAGOBSA-N 374.846 0.969 0 50 FCAA CCNC(=O)c1cn2c(n1)CCN(C(=O)Cc1cn3ccsc3n1)CC2 1875246080 YHYFWTMUMPCQKN-UHFFFAOYSA-N 372.454 0.969 0 50 FCAA Cc1cc(C(=O)NC[C@H]2CCN(c3ncnn4cccc34)C2)nc(O)n1 1875339326 FHSOKNGUNNRJIG-GFCCVEGCSA-N 353.386 0.790 0 50 FCAA CC(C)(C)[C@@H](CNC(=O)c1cnn[nH]1)NC(=O)c1cnc2cccnn12 1875339406 ISCDRBKKLQVPDM-GFCCVEGCSA-N 356.390 0.422 0 50 FCAA O=C([C@@H]1CCCN1c1cnccn1)N1CC2(COC2)[C@@](F)(C(=O)O)C1 1875393459 FZYZGPZCVLWYPQ-ZBEGNZNMSA-N 350.350 0.097 0 50 FCAA O=C(NCc1cnn2c1CN(C(=O)C13CC(CO1)C3)CC2)c1ccoc1 1875406628 IOLPHMYPCBLPPI-UHFFFAOYSA-N 356.382 0.927 0 50 FCAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCc2c(O)nc(O)nc2C1 2325851938 NKHHHZRAWWDJHI-LBPRGKRZSA-N 370.365 0.907 0 50 FCAA O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCn1cccn1 19792381 FFHKCMVADNXVJN-GOSISDBHSA-N 367.453 0.357 0 50 FCAA Cc1cccn2c(CC(=O)NCCS(=O)(=O)N3CCCC3)cnc12 65384324 KHMXGZXMDLVPRA-UHFFFAOYSA-N 350.444 0.727 0 50 FCAA CC(C)NC(=O)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72433586 UHTASBKIGKSAGV-AWEZNQCLSA-N 350.467 0.945 0 50 FCAA CC(=O)NCCNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 77356201 MLFNQCULNKUOJM-UHFFFAOYSA-N 354.414 0.991 0 50 FCAA CCOCC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@H](C)O)cc2C1 77358223 GTUXYQMNCIUYOM-ZDUSSCGKSA-N 370.471 0.657 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3CCC(O)(Cn4ccnc4)CC3)cnc21 77408227 LUEFRPZTUPYPBA-UHFFFAOYSA-N 369.429 0.897 0 50 FCAA CS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CCc1n[nH]c2c1CCCC2 82156837 VORWTBIPFOBLNL-RYUDHWBXSA-N 372.466 0.709 0 50 FCAA Cc1cccc(CN2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2=O)c1 91445278 KRGLUEVQDKGRIR-AWEZNQCLSA-N 358.398 0.154 0 50 FCAA C[C@H]1CNC(=O)CCN1C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95358332 IAEXGBNQVVCHBA-ZDUSSCGKSA-N 371.441 0.761 0 50 FCAA Cc1ccc(NC(=O)NCCc2nncn2C)cc1NC(=O)CN(C)C 96149343 UZOPZHWGPOLYBX-UHFFFAOYSA-N 359.434 0.988 0 50 FCAA Cc1nnc(SCCCNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)s1 97743199 WRBIRARPRLPDDI-SECBINFHSA-N 357.461 0.727 0 50 FCAA O=C(CCc1ccccn1)N1C[C@@H]2C(=O)N(CC3CC3)C[C@]2(C(=O)O)C1 215260104 ORSHVNDSBRCTRA-DNVCBOLYSA-N 357.410 0.796 0 50 FCAA Cc1nc2ccc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cc2s1 215875037 FNPONECNFYUCHK-GFCCVEGCSA-N 369.468 0.995 0 50 FCAA O=C(NCCc1csc(-c2ncccn2)n1)c1c[nH]nc1-n1cnnn1 220667186 GWDYCUCCEHBHKE-UHFFFAOYSA-N 368.386 0.271 0 50 FCAA O=C(CCCn1cnnn1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 222489907 QUYXRGFTLOOZBF-ZBFHGGJFSA-N 369.429 0.498 0 50 FCAA COCCn1c(CN2CCN(c3cnccn3)CC2)nnc1[C@H]1C[C@@H](N)C1 244795547 RIHHEUWJPUYHHM-GASCZTMLSA-N 372.477 0.241 0 50 FCAA Cc1sc(=O)n(CCc2nc(C(C)(C)NS(C)(=O)=O)no2)c1C 274063789 SQONPOYHKQSELZ-UHFFFAOYSA-N 360.461 0.937 0 50 FCAA Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)sc2ncn(C)c(=O)c12 299741711 AHHJDDPNDGIUAT-VIFPVBQESA-N 351.384 0.619 0 50 FCAA COCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC)c(O)c1)C2 299766142 BHQNGXWJPSFJCE-UHFFFAOYSA-N 360.414 0.876 0 50 FCAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ncccn2)CC1 299781362 UXKDSAZQRUSKBH-ZDUSSCGKSA-N 354.432 0.270 0 50 FCAA Cc1cc(N2CCN(C(=O)[C@@H]3CSC(C)(C)C(=O)N3)CC2)nc(N)n1 299789665 ZRSGMHOANDTOQJ-NSHDSACASA-N 364.475 0.026 0 50 FCAA C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328629014 HTUTUWBQYIKUKT-AEGPPILISA-N 363.462 0.706 0 50 FCAA Cc1cccc(C(=O)N2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)n1 328630420 JJLVDPWXBRWSDU-CQSZACIVSA-N 357.414 0.461 0 50 FCAA Cn1nc2cccc(S(=O)(=O)NCCN3CCCC[C@H]3CO)c2n1 670468275 ACTPYIIVTFWLBP-LBPRGKRZSA-N 353.448 0.093 0 50 FCAA CN1C[C@H](CNC(=O)N2CCN(Cc3ccc(F)cc3)CC2)OCC1=O 826588331 PRZBNNQQHNFVLP-INIZCTEOSA-N 364.421 0.510 0 50 FCAA Cc1c(S(=O)(=O)NCc2cc(O[C@@H]3CCNC3)ccn2)cnn1C 842900741 KIIWYJNVOYSCEZ-CQSZACIVSA-N 351.432 0.343 0 50 FCAA CN1CC(N2C[C@@H](C(=O)NCCc3ccc(F)c(F)c3F)CC2=O)C1 952888920 ZQHAMSKKMBYWPK-NSHDSACASA-N 355.360 0.925 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)cc1 1074609975 AJCBSGJFYKDQGI-RANZSIQMSA-N 356.430 0.347 0 50 FCAA CCOCC(=O)N1C[C@H]2CN(C(=O)CSCC)C[C@@]2(CN(C)C)C1 1772710069 NXJOTKDJTQQWBU-WMLDXEAASA-N 357.520 0.625 0 50 FCAA Cn1cc(CN2CC[C@H](NCc3ccc4c(n3)CCC4)C2)c(C(N)=O)n1 1775961707 UBCWWUQPNMBZIV-INIZCTEOSA-N 354.458 0.767 0 50 FCAA NC(=O)COCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857711834 GHYRESHOHFQYIB-LPHOPBHVSA-N 361.442 0.553 0 50 FCAA CN1CC[C@@H](C(=O)N2C[C@@H]3CN(CC(=O)NC4CCCC4)C[C@]3(C)C2)C1 1875278295 NZFBIRKNCJUIOE-GQIGUUNPSA-N 362.518 0.777 0 50 FCAA COC(=O)c1ccn2c1CN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 1875297822 DZVZEGLRYKUJCL-UHFFFAOYSA-N 352.416 0.830 0 50 FCAA O=C(c1nc2c(s1)COCC2)N1CCC2=NS(=O)(=O)NC=C2C1 1875321462 JKEBQSGEZVMZNS-UHFFFAOYSA-N 354.413 0.235 0 50 FCAA NC1(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CS(=O)(=O)C1 1875329984 NHOHWKLDYHVDKH-CABCVRRESA-N 352.456 0.617 0 50 FCAA Cc1cc(F)c(C(=O)N2CC3(C2)[C@H](C(N)=O)CCS3(=O)=O)c(F)c1 1875395554 DQWZGSUZUQQMCH-VIFPVBQESA-N 358.366 0.388 0 50 FCAA NS(=O)(=O)c1cnn2c1CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)CC2 1875396176 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Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@H](O)c1cccc(O)n1 2356146134 UBCNJEYBHBHXSL-HNNXBMFYSA-N 372.429 0.101 0 50 FCAA CC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1 2877151 CDGRUNVBSHUACI-UHFFFAOYSA-N 350.423 0.213 0 50 FCAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 16726910 KHWWFAGJABGLRR-UHFFFAOYSA-N 361.427 0.347 0 50 FCAA COc1cccc(CNC[C@@H]2CNCCO2)c1OCCN1CCOCC1 55099855 PMHAZVQPCDHVHE-KRWDZBQOSA-N 365.474 0.484 0 50 FCAA Nc1nc(NCc2cccc(-c3nnn[nH]3)c2)cc(N2CCOCC2)n1 65394445 DOYKDOSNVNEATD-UHFFFAOYSA-N 353.390 0.688 0 50 FCAA CCn1nc(C(=O)O)c2c1CCN(C(=O)C[C@H]1CN(C(C)C)CCO1)C2 67786098 IWEXBTUSZCJJAS-ZDUSSCGKSA-N 364.446 0.985 0 50 FCAA CC(=O)NCC(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 72143681 ZHURHLIAUIUHAY-UHFFFAOYSA-N 354.414 0.625 0 50 FCAA COCCN1C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1=O 72473116 QYANWJSICPEOHI-MRXNPFEDSA-N 363.433 0.965 0 50 FCAA O=C1NC(=O)[C@@H](CCC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)N1 72479401 WCQBCVMXNMRDTO-QGZVFWFLSA-N 370.453 0.676 0 50 FCAA CN1C(=O)COc2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc21 75039595 IWELIDAZQCGGGF-UHFFFAOYSA-N 367.427 0.149 0 50 FCAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cnc2c(O)cccn2c1=O 77470599 PIEAYVSTPGWUBP-GFCCVEGCSA-N 359.382 0.858 0 50 FCAA Cc1ccc(N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)nn1 91594166 OSHYPNFMYQNNQP-UHFFFAOYSA-N 362.459 0.822 0 50 FCAA COCc1c(C(=O)N2C[C@H](C3CC3)[C@@H](NS(C)(=O)=O)C2)noc1C 92045818 QNLPVVYUDGQISQ-YPMHNXCESA-N 357.432 0.529 0 50 FCAA Cn1ncc2c(=O)[nH]c(CN3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)nc21 95503872 PHIHGUBTLLNCOD-AUUYWEPGSA-N 367.409 0.627 0 50 FCAA CCc1nc(C[C@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc43)CCO2)no1 95525245 LCJOHWBLHQESIH-LBPRGKRZSA-N 371.397 0.745 0 50 FCAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 96149211 YMHFVEFFCSGFLW-ZDUSSCGKSA-N 369.381 0.568 0 50 FCAA C=C(C)C(=O)OCCOCCOCCOCCOCCOCCOC 116432534 FVSGBTSAXJGUNZ-UHFFFAOYSA-N 364.435 0.835 0 50 FCAA Cc1cc(C)n(CCC(=O)NCc2nc(=O)c3ccccc3[nH]2)c(=O)n1 142629507 DNXDKMCAEHGSIC-UHFFFAOYSA-N 353.382 0.803 0 50 FCAA CCc1nccn1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 158743183 RTOSXWNPKJEHQV-KGLIPLIRSA-N 355.460 0.640 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(F)(F)F)n[nH]1 219296141 SLKMQUGGDAKLEM-PSASIEDQSA-N 364.324 0.421 0 50 FCAA Cc1ccn2c(C(=O)N[C@@H](Cc3ccncc3)[C@H]3C[C@@H](O)C3)nnc2n1 244742100 OBYRACDFJOLLRP-ZNMIVQPWSA-N 352.398 0.940 0 50 FCAA C[C@H](OC(=O)CN1CCCS1(=O)=O)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 252477261 KXZJTJMGJBXMGC-YTFOTSKYSA-N 372.487 0.895 0 50 FCAA CS[C@@H]1CN(c2ccc(C(=O)NC3CCOCC3)nn2)C[C@H]1N(C)C 252477868 WTYJQGVAJLPOMU-HUUCEWRRSA-N 365.503 0.867 0 50 FCAA Cn1ccc2c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cccc21 253410236 NBBSZBLXKNYOAH-UHFFFAOYSA-N 351.428 0.661 0 50 FCAA COCCn1nnnc1[C@@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 299757057 LQCXAXRBKMLFEW-ZDUSSCGKSA-N 362.390 0.400 0 50 FCAA O=C(Cn1ccc(C(F)(F)F)n1)NC[C@H]1CCC[C@]12NC(=O)NC2=O 332848103 SSGZKIMHWFEXJX-OQPBUACISA-N 359.308 0.396 0 50 FCAA CCc1nc(CN(C)c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)no1 426509367 LUOOZYPVLXQRQF-NSHDSACASA-N 360.418 0.743 0 50 FCAA COC(=O)c1ncsc1S(=O)(=O)NC[C@H](O)Cc1cccc(F)c1 451631277 VAKHDKSHZZTVIU-LLVKDONJSA-N 374.415 0.951 0 50 FCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)CC(=O)NCC(F)(F)F)C1 886078219 QVDRHSAUVLKFFE-UTUOFQBUSA-N 351.369 0.813 0 50 FCAA Cc1nnc(SCC(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)s1 1076076075 UIHHBCOJPAYUNY-MNOVXSKESA-N 352.445 0.903 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)n1 1565509164 HWKDSXOYTBYEIL-HOTGVXAUSA-N 360.414 0.619 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2 1704325119 DYHVDZHDTPBPEV-BBRMVZONSA-N 370.409 0.934 0 50 FCAA Cc1ncsc1CN1CCOC2(CCN([C@@H](C)C(N)=O)CC2)CC1=O 1857684392 MCCVCGDNRCOCQN-ZDUSSCGKSA-N 366.487 0.909 0 50 FCAA Cc1ccc(S(=O)(=O)CCCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 1857797785 QHZUPTHWZBIWSU-CYBMUJFWSA-N 352.412 0.470 0 50 FCAA Cc1nc(C(=O)NCc2cncnc2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875299961 DJXBOIMITUUYMU-OAHLLOKOSA-N 355.446 0.954 0 50 FCAA CCn1nncc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397206 POXOYKFOAOYGOG-CQSZACIVSA-N 372.477 0.775 0 50 FCAA Cc1cnn(C)c1C(=O)N1C[C@]2(C)CN(Cc3nnn(C)n3)C[C@]2(C)C1 1875406264 ANFISIOVYZDCOT-CALCHBBNSA-N 358.450 0.236 0 50 FCAA Cc1cncnc1N1C[C@H](NC(=O)Cn2ccnn2)C2(CCOCC2)C1 1875407776 HQSOKQYTZOMMJE-AWEZNQCLSA-N 357.418 0.178 0 50 FCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCCc1nn[nH]n1 1940195488 SVGFEDNMXHCZQJ-UHFFFAOYSA-N 368.397 0.840 0 50 FCAA Cn1c(CNC(=O)c2cn3c(n2)CC[C@H](N)C3)cc(=O)n1-c1ccccc1 2325796066 QPDDXKGCNAAIIK-ZDUSSCGKSA-N 366.425 0.576 0 50 FCAA COc1cccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 785785 GBSKQTADVGVMPV-UHFFFAOYSA-N 369.443 0.185 0 50 FCAA CN(Cc1ccccc1)c1ncccc1CNC(=O)CN1CC(=O)NC1=O 19143323 DHCBBVZEEVUGMX-UHFFFAOYSA-N 367.409 0.886 0 50 FCAA COC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1 20500870 ZLOUJKMDILFHJN-UHFFFAOYSA-N 355.358 0.577 0 50 FCAA O=C(Cn1nc2c(cc1=O)CCCC2)N[C@@H](Cc1ccccc1)C(=O)O 49547046 LPAVZNSKIJSMMI-INIZCTEOSA-N 355.394 0.934 0 50 FCAA Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)cn1 55183319 PVTVVQDUWFZRLT-KRWDZBQOSA-N 371.416 0.931 0 50 FCAA CCn1c([C@@H]2CCCN(C(=O)c3c(C)nc4ncccn34)C2)n[nH]c1=O 67649170 GZQKYTSHOMOEKI-GFCCVEGCSA-N 355.402 0.962 0 50 FCAA Cc1nc[nH]c1CN1CCN(Cc2ccoc2)[C@H]2CS(=O)(=O)C[C@H]21 72428798 DQVSVLWFWXDASA-JKSUJKDBSA-N 350.444 0.795 0 50 FCAA O=C(C[C@H]1COCCN1C(=O)c1nc(O)c2ccccc2n1)N1CC=CC1 72476653 QSAZKFWUIYUHCP-ZDUSSCGKSA-N 368.393 0.965 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccccn2)[C@H]3C1=O 77387432 WYFMYZUGOHTABO-BOSXTWCSSA-N 371.437 0.859 0 50 FCAA CN(C)CCn1ccnc1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 91325910 VKUKJHCYRZRKJN-UHFFFAOYSA-N 366.491 0.747 0 50 FCAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC[C@@H]1c1ccco1 95513166 QPAFNVSIFUVRFZ-CQSZACIVSA-N 360.418 0.852 0 50 FCAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 95516731 JFUVQXMNYFUTSI-CYBMUJFWSA-N 363.439 0.680 0 50 FCAA O=C(CN1CCOC1=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 95520806 CJQZWJFJQVCTLR-UHFFFAOYSA-N 365.337 0.658 0 50 FCAA CCC(=O)N1C[C@@H](NC(=O)c2cnc(C)cn2)C[C@H]1C(=O)N(CC)CC 96148087 DBQPXEZFXNUPIT-ZFWWWQNUSA-N 361.446 0.763 0 50 FCAA Cc1nc(C2CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)cc(=O)[nH]1 96148439 QLJNRHDNXOJVMZ-CQSZACIVSA-N 356.430 0.823 0 50 FCAA O=C1NCCN(C(=O)c2ccc(CN3CCCC3)o2)[C@@H]1Cc1c[nH]cn1 97499710 NECMZFMGQZCRDN-OAHLLOKOSA-N 357.414 0.782 0 50 FCAA O=C1CC[C@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)NC(=O)N1 97522064 BTBKSLUTOCRDRU-CYBMUJFWSA-N 368.397 0.318 0 50 FCAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 120718192 SYZMYCKFYANCBS-LBPRGKRZSA-N 374.416 0.984 0 50 FCAA CN1CCN(Cc2ccc(C(=O)NCCC(=O)N3CCOCC3)cc2)CC1 193611219 NXHRYEFMBWRLJY-UHFFFAOYSA-N 374.485 0.413 0 50 FCAA CN1CCCNC(=O)C12CCN(C(=O)c1nnc3n1CCCCC3)CC2 215163150 PBQRGASNIJFFGB-UHFFFAOYSA-N 360.462 0.431 0 50 FCAA COc1ccccc1[C@H]1CN(C(=O)CCCn2cnnn2)C[C@@H]1C(=O)O 216377148 OEXHONCYPYIXLI-KGLIPLIRSA-N 359.386 0.789 0 50 FCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2c[nH]c3c(C)cccc3c2=O)[C@H]2CCO[C@H]21 222470027 RAQYTXIGTLQIKH-BUIXCFAXSA-N 355.394 0.858 0 50 FCAA Cc1nc(N)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 223122686 RDUBMRQBXXGJKD-UHFFFAOYSA-N 369.381 0.581 0 50 FCAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCNCC2)c1 238085232 JXEVCPUMISLEEN-UHFFFAOYSA-N 362.249 0.532 0 50 FCAA O=C(NCC(=O)N1CCCc2ccccc21)c1cn(C2CCNCC2)nn1 238153157 ZBLYSHHOVHURMS-UHFFFAOYSA-N 368.441 0.912 0 50 FCAA C[C@@H](C(=O)N1CCN(CCn2cncn2)CC1)n1c(=O)oc2ccccc21 244692019 JNBSEANXEBSNGY-AWEZNQCLSA-N 370.413 0.591 0 50 FCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 248029857 PACSBDNJHCAGOC-HOTGVXAUSA-N 350.463 0.358 0 50 FCAA C[C@H](C(=O)O)N(C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 263557804 PJPZWSZOEGEGHO-DXDYRAJHSA-N 350.371 0.003 0 50 FCAA CN1C[C@H](NC(=O)CN2CCCCCC2=O)c2sccc2S1(=O)=O 299785449 ZXJIZXZQIOEBLQ-NSHDSACASA-N 371.484 0.942 0 50 FCAA Cn1cc(N2CCC[C@@H](N3CCC[C@H](c4ccnc(N)n4)C3)C2=O)cn1 330275439 LMYKBIQOVWNWLF-XJKSGUPXSA-N 355.446 1.167 0 50 FCAA CN1CCN(c2cc(C(=O)N3CCN([C@H]4CCOC4)CC3)ccn2)CC1 372110268 AYMXFCRWAUFTJL-KRWDZBQOSA-N 359.474 0.380 0 50 FCAA Cc1nnnn1-c1cccc(NC(=O)N[C@H]2CCc3nnnn3CC2)c1 421096302 XMPPUDHTDGOAAJ-NSHDSACASA-N 354.378 0.484 0 50 FCAA CC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1F 499200168 AZLGKCCRTGYICC-NSHDSACASA-N 365.361 0.018 0 50 FCAA CN(C)[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@@H]1n1ccnn1 862941848 FRRZSTONZIFNED-CABCVRRESA-N 352.402 0.486 0 50 FCAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cc2ccc3c[nH]nc3c2)C1 886084847 LGNKNNPETWLNSJ-GOSISDBHSA-N 354.414 0.830 0 50 FCAA NC(=O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 952849810 GUQZYVLYJLTBAV-WBMJQRKESA-N 352.412 0.134 0 50 FCAA NC(=O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cccc3c1OCC3)C2 952850361 LPNNZPFQQQQOBK-WBMJQRKESA-N 352.412 0.134 0 50 FCAA Cn1c(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)cc(=O)n(C)c1=O 1073373846 NTTADJSAZMFTKU-GJZGRUSLSA-N 360.458 0.421 0 50 FCAA CN(C)c1nc2c(c(NC[C@H]3CN(S(C)(=O)=O)CCO3)n1)CCCC2 1529118605 NHTLCCBWGZKHRI-LBPRGKRZSA-N 369.491 0.494 0 50 FCAA 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0 50 FCAA NC(=O)c1c[nH]c(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)c1 1857528361 CEXHUAMJICCAJQ-HNNXBMFYSA-N 370.413 0.718 0 50 FCAA CC(=O)c1c(C)nn(CCC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1C 1857731833 QQSTXBKBEMBOMJ-KDOFPFPSSA-N 360.414 0.652 0 50 FCAA O=C(Cc1cnn(-c2ccccc2)n1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402326 FXJSHVGLAPMPQZ-BMGDILEWSA-N 366.425 0.962 0 50 FCAA COC(=O)[C@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C)Cc2ccccc21 2325758355 NDVZPTFMDCAOLO-WFASDCNBSA-N 354.428 0.724 0 50 FCAA C[C@H]1C[C@H](CNC(=O)c2cn(C)nc2-c2cnn(C)c2)CCS1(=O)=O 2325786648 MFJNBCOMHSUAHJ-NWDGAFQWSA-N 365.459 0.764 0 50 FCAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 2502247 PCZMDRVHMOCOJG-MRXNPFEDSA-N 373.434 0.798 0 50 FCAA O=S(=O)(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)N1CCOCC1 72157965 WZPVTBPYYBBGKM-QGZVFWFLSA-N 365.499 0.785 0 50 FCAA CC(C)(O)CCc1ccc(C(=O)N2C[C@]34CNC(=O)[C@]3(CNC4=O)C2)cc1 72424089 NURSCKSKOPVVCT-PMACEKPBSA-N 371.437 0.078 0 50 FCAA Cc1ncn(-c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)ncn2)c1C 72434242 GABVFVBQMUXTBY-UHFFFAOYSA-N 365.463 0.208 0 50 FCAA CCN(C)S(=O)(=O)N1CCC(Oc2ccc(C)nc2)(C(=O)O)CC1 72479627 UNMNKQIQVLCXSC-UHFFFAOYSA-N 357.432 0.885 0 50 FCAA CC(=O)N1CCN(Cc2nc3ccccc3nc2C)[C@H]2CS(=O)(=O)C[C@H]21 72480203 JGDRTFBYOGQUFM-ZWKOTPCHSA-N 374.466 0.768 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)CCc3nncn3C)CC2)cc1 82161964 WUEYDZYBVAOTEG-UHFFFAOYSA-N 357.414 0.741 0 50 FCAA Cc1cccc(=O)n1CCC(=O)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91551005 GIOLIEZHDJARQN-IBGZPJMESA-N 361.442 0.380 0 50 FCAA CCC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)C[C@@H]1N 91809142 JFGNREBLGZQXJI-FZMZJTMJSA-N 355.460 0.803 0 50 FCAA OCCO[C@H]1C[C@@H](O)C12CCN(Cc1nc(C(F)(F)F)no1)CC2 92077098 QOYXYJVVODJINI-ZJUUUORDSA-N 351.325 0.813 0 50 FCAA COc1cc2c(cc1OC)CN(C(=O)CN1C[C@@H]3CC[C@H](CC1=O)N3)CC2 95519858 QLVXYLLDKVMWLN-CVEARBPZSA-N 373.453 0.941 0 50 FCAA O=C(c1cccnc1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 211489226 VERTYGFWODGGMJ-CVEARBPZSA-N 360.414 0.449 0 50 FCAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)Cc1nncn1C 288305883 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1529189477 NRNSWFVONUOFNB-IINYFYTJSA-N 362.398 0.218 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@@H](O)C1 1565513813 NHSJYFRNMBQVPI-KBPBESRZSA-N 373.375 0.959 0 50 FCAA Cc1ncsc1CCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565527665 NPIMYCYYDFCOED-STQMWFEESA-N 354.476 0.024 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1ccccc1OCCO)C2 1704327786 GLZHXUVDJHGEOL-HOCLYGCPSA-N 350.415 0.275 0 50 FCAA O=C(O)c1n[nH]c2c1CN(C(=O)CCc1nc3ccccc3[nH]c1=O)CC2 1857679162 GXOAZYXDSCKNDC-UHFFFAOYSA-N 367.365 0.862 0 50 FCAA CC(C)N1CCC(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857691716 AMFJJGPYDBNFPZ-QFBILLFUSA-N 351.491 0.987 0 50 FCAA COc1ccccc1CC(=O)N[C@@H]1CN(Cc2nccn2C)CC[C@@H]1O 1857698381 OGHSOQYIGWFHLW-CVEARBPZSA-N 358.442 0.723 0 50 FCAA Cc1cccc(-n2nc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(=O)cc2C)c1C 1857797951 GJHVDYFJZXIUFG-CYBMUJFWSA-N 368.393 0.693 0 50 FCAA O=C(O)CN(Cc1cn(CCc2ccccc2)nn1)C(=O)[C@@H]1CCOC1 1875324693 JATYRQNWUIFMLP-OAHLLOKOSA-N 358.398 0.971 0 50 FCAA 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0.993 0 50 FCAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)C1CCN(Cc3ccco3)CC1)C2 71415666 WYPYPCPYZVTDAM-UHFFFAOYSA-N 357.414 0.742 0 50 FCAA COC[C@H](O)CNc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 71755133 BADIGXADPXPWBT-CQSZACIVSA-N 357.414 0.862 0 50 FCAA COc1cc(CCC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1C 77420931 JIPFXDPGIYVGRT-CVEARBPZSA-N 366.483 0.876 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(C(=O)c4cc[nH]c4)CC3)n2C)CC1 96141933 HWCUQOIULOMNDR-UHFFFAOYSA-N 371.489 0.910 0 50 FCAA COCCn1nnnc1[C@H]1CN(C(=O)Cc2sc(C)nc2C)CCO1 97655374 BUFPVEBPPGAVKH-GFCCVEGCSA-N 366.447 0.535 0 50 FCAA CC(=O)NC[C@@H]1CN(C(=O)NCc2ccccc2-n2ccnc2)CCO1 172280575 RHGRXQRIJQSFBA-MRXNPFEDSA-N 357.414 0.919 0 50 FCAA CC(C)[C@H]1CN(CC(=O)NCCc2ccccc2)C[C@@H]1NS(C)(=O)=O 216382529 SVUJKNSINVYCEC-SJORKVTESA-N 367.515 0.851 0 50 FCAA Cc1noc(C)c1CN1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 220467998 TWBKTCHVPAFIFS-HNNXBMFYSA-N 354.432 0.582 0 50 FCAA O=S(=O)(N1CCCC1)N1CCCN(Cc2noc(C3CC3)n2)CC1 243914749 BKHSRVWIOWKUOL-UHFFFAOYSA-N 355.464 0.795 0 50 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358.402 0.396 0 50 FCAA CSCCCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCNC2)c1 214998644 BVPPFAMKUCRVNZ-ZDUSSCGKSA-N 357.501 0.810 0 50 FCAA COCC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(=O)nc[nH]3)C2)CC1 215349135 KATZYBSAYZPZKF-AWEZNQCLSA-N 362.430 0.361 0 50 FCAA CC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(NC(N)=O)cc2)C[C@@H]1C(C)C 216264623 RIHOFWINXNLZNL-CABCVRRESA-N 368.459 0.958 0 50 FCAA CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)O)c2cnn3cccnc23)c1O 218178169 ZMXMFNHEORJBRK-VIFPVBQESA-N 372.337 0.907 0 50 FCAA Cc1cc(N)n(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)n1 219986190 QYNRZCPJCFXCQF-ZBFHGGJFSA-N 368.441 0.818 0 50 FCAA Cn1cnnc1C1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1 244678459 IDLZJDZTYTVNIU-UHFFFAOYSA-N 358.427 0.993 0 50 FCAA O=C(O)[C@@]12COc3ccccc3[C@@H]1CN(S(=O)(=O)N1CCOCC1)C2 247363268 FHJDNFZFJXBGFO-BBRMVZONSA-N 368.411 0.126 0 50 FCAA COc1ccc(C(=O)N2CCc3nc(N(C)C)nc(O)c3CC2)c(OC)n1 299766528 DYAOREQCPWKQSD-UHFFFAOYSA-N 373.413 0.901 0 50 FCAA COCC(=O)N1CC[C@@H](NC(=O)c2cc3ccccc3cc2O)[C@H](O)C1 299800862 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CC(=O)N1C[C@@H]2CN(CC(=O)NCCc3ccccc3)C[C@]2(C(=O)O)C1 92028136 AZTOVDLRZNGZGL-LPHOPBHVSA-N 359.426 0.210 0 50 FCAA O=C(C1CCOCC1)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C(=O)O)C1 92106779 QPJKQFGHYUORGK-VQIMIIECSA-N 359.426 0.853 0 50 FCAA O=C(C1CCN(Cc2ccco2)CC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 95383821 LZBLJZUAWIVZKG-JKSUJKDBSA-N 367.471 0.089 0 50 FCAA O=C(NC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)c1n[nH]c2ccccc12 95497144 SGYQUOAYUBRGQU-LBPRGKRZSA-N 368.401 0.218 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)CN1Cc1ncc[nH]1 95501644 DPSXQTWGXXMBGL-OLZOCXBDSA-N 371.397 0.257 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccccc23)CN1C(=O)COC 96165833 AZWDBAWLKZPBGZ-RISCZKNCSA-N 373.413 0.045 0 50 FCAA CCN1CCNC(=O)[C@H]1Cc1nc(C)nn1-c1ccc2c(c1)OCCO2 96166304 KDBLFIKKJXVMQK-CQSZACIVSA-N 357.414 0.710 0 50 FCAA C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)n1nc(-c2cccs2)oc1=O 179716355 GFWOIRYYFFHVCL-IUCAKERBSA-N 357.413 0.429 0 50 FCAA Cc1[nH]nc(CCC(=O)N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)c1C 216543475 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O=C(NCc1cccnc1)[C@@H]1CNCCN1C(=O)c1onc2c1CCCC2 426372437 YCQOUGYRGULJFI-INIZCTEOSA-N 369.425 0.679 0 50 FCAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1cnc(O)nc1O 670440579 HLVMBGNNXNRHNB-JSFIFOFKSA-N 357.374 0.352 0 50 FCAA CCN1C(=O)CO[C@@H](CNCc2cccc(OC)n2)[C@@H]1c1nccn1C 886093900 KCOCNEIKDLLLNV-WMLDXEAASA-N 359.430 0.902 0 50 FCAA CN1CCN(S(=O)(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 952860317 MDKMDZIFPBTZJH-UHFFFAOYSA-N 367.450 0.935 0 50 FCAA CO[C@@H]1C[C@H](CNC(=O)Cc2ccccc2CO)N(c2ccncn2)C1 952887573 SNTDWKXHPYJNMN-IAGOWNOFSA-N 356.426 0.922 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc3scnc3c2)C[C@@H]1O 1529172123 JMSVGCWULROKJW-AAEUAGOBSA-N 369.468 0.621 0 50 FCAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)CCN1CCOCC1 1565515435 QYLCKTCJOMMYCP-IRXDYDNUSA-N 367.446 0.804 0 50 FCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2 1565516302 HGLMWFWFJGRFLW-BBRMVZONSA-N 364.398 0.336 0 50 FCAA O=C(O)c1sc(Cl)cc1S(=O)(=O)N1C[C@H]2CNC[C@@]2(CO)C1 1772707579 QFEAVZIXBPLKSO-KRTXAFLBSA-N 366.848 0.302 0 50 FCAA O=S1(=O)CC[C@H](CCS(=O)(=O)NCCN2CCc3ccccc32)C1 1857684449 OFDMWAWVJXDFEW-CQSZACIVSA-N 372.512 0.793 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)Cc2ccc(CO)cc2)[C@H]1c1cnn(C)c1 1857732911 MSRCXGFTOIVVAX-ICSRJNTNSA-N 372.469 0.985 0 50 FCAA C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ncnc2c1nnn2CC1CC1 1875310919 HAIUEGQBOKUKGS-CMPLNLGQSA-N 365.463 0.713 0 50 FCAA Nc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC23CC3)nc(O)c1Cl 1875346644 KDXKMYCRAYPMPR-HTQZYQBOSA-N 354.794 0.030 0 50 FCAA NC(=O)CSCC(=O)NCC1(NC(=O)c2coc(C3CC3)n2)CCC1 1875347827 TYVONHZZMNPRST-UHFFFAOYSA-N 366.443 0.539 0 50 FCAA Cc1nc2nc(C)c(Nc3nccc(N4CCC[C@H](O)C4)n3)c(=O)n2[nH]1 2356137554 PLWAYJNOTRVHRT-NSHDSACASA-N 356.390 0.529 0 50 FCAA Cc1ccccc1OC[C@H](O)Cn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 633054 KGFOZXZFUMLOIO-GFCCVEGCSA-N 373.413 0.238 0 50 FCAA CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O 3831282 BPLBGHOLXOTWMN-MBNYWOFBSA-N 350.396 0.697 0 50 FCAA biogenic,fda O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NCCO 5023282 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Cc1ccc(OCCN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)cc1C 1565516460 HMTSGYJBUXLETF-IRXDYDNUSA-N 371.503 0.513 0 50 FCAA COc1ccc(OC)c(NC(=O)CCN(C)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 1565529932 PGZNPHLQIGPSJN-KBPBESRZSA-N 372.443 0.122 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccnc2ccccc12 1704299295 ICPZYGPKTPDKJD-BLLLJJGKSA-N 363.439 0.871 0 50 FCAA COc1ccc(F)cc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2CC(=O)O 1704324963 IFYOFDUHKCXYMU-YPMHNXCESA-N 352.362 0.692 0 50 FCAA Cc1cc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCn3ncnc3C2)ncn1 1875359661 MANCYVSZQMIRCV-IHRRRGAJSA-N 359.409 0.672 0 50 FCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCC2(n3cncn3)CC2)ncn1 1875402010 YMEPRHXKODFFAI-ZIAGYGMSSA-N 358.450 0.171 0 50 FCAA CC(=O)C1CN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 2325774281 ASVNAIBVKCEVTL-UHFFFAOYSA-N 350.440 0.578 0 50 FCAA CC(=O)c1c(C)nn(CCC(=O)N2CCC3(CC2)CNC(=O)CO3)c1C 2356144405 WGJPVCRWSKYERS-UHFFFAOYSA-N 362.430 0.600 0 50 FCAA O=C(NCCOCCOCCNC(=O)c1cccnc1)c1cccnc1 4268730 AZWILAJDMRRBPV-UHFFFAOYSA-N 358.398 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O=S(=O)(NCc1cc2n(n1)CCCNC2)c1ccc(-c2ccn[nH]2)o1 82166403 XMYHAHQKUBVDRV-UHFFFAOYSA-N 362.415 0.838 0 50 FCAA O=C1C[C@H](C(=O)O)C2(CCN(S(=O)(=O)c3ccccc3F)CC2)N1 91830414 MBDHRZYGKCTXCH-SNVBAGLBSA-N 356.375 0.570 0 50 FCAA Nc1nc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c2cn[nH]c2n1 91952004 UKLHWDAVXQBLQL-OCCSQVGLSA-N 361.450 0.235 0 50 FCAA Cc1cc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)ccc1F 96179985 KNZKALJFWKFLGY-CZUORRHYSA-N 356.419 0.912 0 50 FCAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(N)nc1)C2 220584736 COWCFFDFIOSVCW-OAHLLOKOSA-N 353.386 0.332 0 50 FCAA O=C(CCn1cccn1)N[C@H]1C[C@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 220647860 NCTSVUNNOZXKCO-ZNMIVQPWSA-N 356.430 0.697 0 50 FCAA C[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 263285594 XZMWMMXJZANIES-BDAKNGLRSA-N 367.383 0.772 0 50 FCAA O=C(Cc1cccc(F)c1F)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274482250 PEWROSOKRKKDBL-UHFFFAOYSA-N 371.369 0.159 0 50 FCAA O=C(O)CN(C(=O)Cn1cc(Br)ccc1=O)C1CCOCC1 299742321 BDXDYIDVGBXNJL-UHFFFAOYSA-N 373.203 0.703 0 50 FCAA CC1(C)C[C@H](CN2CCn3nc(CNS(C)(=O)=O)cc3C2)CCO1 299791326 CYBWVNZDBNYULK-CYBMUJFWSA-N 356.492 0.953 0 50 FCAA CN(C)C(=O)Cc1ccccc1NC(=O)N1CCN([C@@H]2CCNC2)CC1 299799260 QRYYKBWLDRTDKX-MRXNPFEDSA-N 359.474 0.829 0 50 FCAA CN(C[C@H]1CN(Cc2noc(C3CC3)n2)CCO1)c1nccn(C)c1=O 328636520 OBCXRDOBQNVROG-ZDUSSCGKSA-N 360.418 0.378 0 50 FCAA CN(C[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1)c1nccn(C)c1=O 328651030 VTVMAVRJBDBEQX-CQSZACIVSA-N 356.430 0.789 0 50 FCAA CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc3c2OCC3)CC1 331783737 FCDXSSVCNRVHRS-UHFFFAOYSA-N 360.457 0.324 0 50 FCAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1CC(=O)N([C@H]3C[C@@H]3C)C1)CC2 332977108 WPWIAHVIBHRLDU-XFIYOXNOSA-N 365.474 0.957 0 50 FCAA CC(C)n1cnnc1[C@@H](C)NC(=O)N1CCN(CCn2cncn2)CC1 426405438 BNAQHMUKYMNFJX-CQSZACIVSA-N 361.454 0.539 0 50 FCAA O=C(NCCc1nc(-c2ccccn2)no1)NC[C@@H]1CCS(=O)(=O)C1 828023206 NHSGXJUBOOCKTL-NSHDSACASA-N 365.415 0.408 0 50 FCAA C=CC(=O)Nc1ccc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 876047618 HIKXDIDCXHEALC-UHFFFAOYSA-N 352.416 0.032 0 50 FCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1c[nH]c(C(F)(F)F)c1 888103400 XXDOICHAFDGOSP-VIFPVBQESA-N 356.308 0.704 0 50 FCAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1c[nH]nc1-n1cnnn1 1506403561 SUDMBBIDNYQLBK-HNNXBMFYSA-N 367.417 0.737 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1O 1529111956 CIBSVEHKSLPTJO-RDJZCZTQSA-N 364.471 0.556 0 50 FCAA CN1CC[C@@H]2CN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@@H]2C1=O 1772815321 GQNKBXOYMWPFFS-OCCSQVGLSA-N 356.382 0.293 0 50 FCAA CCc1onc([C@H]2CCCOC2)c1C(=O)N1CCS(=O)(=O)CCO1 1875308415 FKCUFNFEXNPNQR-NSHDSACASA-N 358.416 0.933 0 50 FCAA Cc1cc(C(=O)NC[C@@H]2CCN(c3ncnn4cccc34)C2)nc(O)n1 1875339327 FHSOKNGUNNRJIG-LBPRGKRZSA-N 353.386 0.790 0 50 FCAA Cc1[nH]nc(C(=O)O)c1S(=O)(=O)N1CC(O)(c2cccc(F)c2)C1 1875405818 OYWHMSUQUUTRAV-UHFFFAOYSA-N 355.347 0.448 0 50 FCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc2nc(C(F)(F)F)[nH]c2c1 1940196017 CSGZYZVWFRRVBK-DDHJBXDOSA-N 357.288 0.839 0 50 FCAA COc1cncnc1N1CCO[C@@H](CN(C)C(=O)CCOC(C)C)C1 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CCC[C@H]1CN(Cc2ccc(C)o2)C[C@@H]1NC(=O)CNS(C)(=O)=O 91859678 GXYXSWXJHPSUPO-ZFWWWQNUSA-N 357.476 0.854 0 50 FCAA O=C1OCCCN1CCNC(=O)[C@@]12CNC[C@@H]1CN(Cc1ccccc1)C2 96136117 ZUVKEUGISMHNEW-YLJYHZDGSA-N 372.469 0.667 0 50 FCAA COC(=O)C1=CN(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)N=C1C 169771844 ULEGJQOPZDVEBY-UHFFFAOYSA-N 367.383 0.712 0 50 FCAA O=C(NCCF)c1cccc(S(=O)(=O)NCC2(CO)CCOCC2)c1 215163080 JATPDAKXGYFOJH-UHFFFAOYSA-N 374.434 0.453 0 50 FCAA Cn1ccnc1CNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 215771728 NHQHKBVXXMFLQM-ZDUSSCGKSA-N 364.427 0.417 0 50 FCAA Cc1cccc2nc(CNC(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)cn12 215844016 GAQRUNGNBQTZAN-OAHLLOKOSA-N 364.471 0.768 0 50 FCAA Cn1nc2n(c1=O)C[C@@H](C(=O)NCCc1nc3c(s1)CCCC3)CC2 222381978 RXRIVUFBNXOLFP-NSHDSACASA-N 361.471 0.838 0 50 FCAA Cc1cc(S(=O)(=O)N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)n(C)n1 223955723 KIZORPFVCOIWBT-TXEJJXNPSA-N 367.479 0.143 0 50 FCAA O=C(CCCn1cncn1)N[C@H]1C[C@@H](c2cc(N3CCOCC3)ncn2)C1 240517123 NVHROLYSBMBHMD-GASCZTMLSA-N 371.445 0.747 0 50 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CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCn1ccc(=O)[nH]c1=O 72425029 VXBDVNLYJCXDGY-INIZCTEOSA-N 356.426 0.442 0 50 FCAA CS(=O)(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91459861 KBXNXWGAOYJDGR-UHFFFAOYSA-N 350.448 0.997 0 50 FCAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)CC1 95501704 QDQOKHSYXLPQPO-KRWDZBQOSA-N 374.485 0.641 0 50 FCAA COc1ccc([C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2N(C)C)cc1 95524512 ZCDCTECBPNCUNK-LSDHHAIUSA-N 360.414 0.103 0 50 FCAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1c[nH]c(=O)[nH]c1=O)CC2 95528431 PNLLANGQZDQDMD-UHFFFAOYSA-N 372.429 0.186 0 50 FCAA NC(=O)Cc1nc(C[C@@H]2C=CS(=O)(=O)C2)n(-c2ccc3c(c2)CCC3)n1 97370288 UAWPMSNORIZLSM-LBPRGKRZSA-N 372.450 0.885 0 50 FCAA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccc(F)cc2c1O 220212617 MGTQZHFSIILWBV-KGLIPLIRSA-N 363.345 0.469 0 50 FCAA Cn1cc([C@@H](NC(=O)c2nc(N)nc3c2CCCC3)[C@H]2C[C@H](O)C2)cn1 223762054 ZKHBCCFWBUVSMG-NVBFEUDRSA-N 356.430 0.913 0 50 FCAA Cc1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 229742228 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373043027 ONNXGGVHGFAZOO-CQSZACIVSA-N 353.382 0.984 0 50 FCAA CC(C)CC(=O)N1CCC(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 820906051 JZTQEGUHMYKXIR-ZDUSSCGKSA-N 366.505 0.130 0 50 FCAA CS(=O)(=O)CCS(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1 849462279 QGBPFTJWDKUZGW-ZDUSSCGKSA-N 351.421 0.573 0 50 FCAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 888093548 FKEBVEXDZIYNQL-SUNYJGFJSA-N 366.462 0.155 0 50 FCAA Cc1c([C@@H]2[C@@H](C(=O)N[C@H]3CC[S@](=O)C3)CC(=O)N2C2CC2)cnn1C 888102382 RUIHYSWJRUYONB-RDGICZDSSA-N 364.471 0.418 0 50 FCAA COc1ncccc1C(=O)N[C@@H]1CC12CCN(c1nccn(C)c1=O)CC2 952895070 RQKHSFUKLDWITI-CQSZACIVSA-N 369.425 0.973 0 50 FCAA Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2CC(=O)O)nn1 1565509843 WDHFHHBCGTXUKW-YPMHNXCESA-N 350.400 0.694 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc2c(c1)ncn2C 1704344712 WYHNLTAJOFGXIS-GXTWGEPZSA-N 366.443 0.210 0 50 FCAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc3n(n1)CCN(C)C3=O)C2 1857666263 SYPAEBGZXXEZCA-LBPRGKRZSA-N 370.409 0.958 0 50 FCAA COCc1nnc(N2C[C@H](C(=O)NCC[C@H]3C[C@@H](O)C3)CC2=O)s1 1857719707 TUZNWUBLCOBZIZ-MXWKQRLJSA-N 354.432 0.315 0 50 FCAA CN(C)S(=O)(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857723192 XXMCQGVZOONYHX-LZWOXQAQSA-N 351.428 0.567 0 50 FCAA O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(C(CO)CO)C[C@]23CC[C@H]1O3 1857725197 MJWQXEGZWVOAPM-DODZYUBVSA-N 352.475 0.516 0 50 FCAA CCOc1ncccc1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 2356161502 XWRNMBBSCOHAMW-DLBZAZTESA-N 350.415 0.987 0 50 FCAA COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1 12844128 GQYVNYOMHGHAQJ-UHFFFAOYSA-N 359.423 0.229 0 50 FCAA COc1ccccc1C(=O)N1CCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H]2C1 14537081 DTKJQAVVVRNDRZ-HUUCEWRRSA-N 359.426 0.893 0 50 FCAA O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 19228915 IUMNPBRGOUDNDO-GOSISDBHSA-N 359.470 0.916 0 50 FCAA Cn1cc(CNC(=O)Nc2nnc(CCN3CCOCC3)s2)cn1 20861437 KMLXUVREVWVOBS-UHFFFAOYSA-N 351.436 0.468 0 50 FCAA O=C(Cc1nnn[nH]1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48351406 VZMVBOBFJAGONZ-UHFFFAOYSA-N 353.342 0.446 0 50 FCAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccc(F)cc1 49762691 XCYZOFLKXOWSJY-GJZGRUSLSA-N 362.405 0.779 0 50 FCAA CC(C)SCC(=O)N1CCn2nc(C(=O)N3CCN(C)CC3)cc2C1 65460459 XLPXSKOUCKXLJV-UHFFFAOYSA-N 365.503 0.755 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3ccco3)nn2)CN1 67947264 PZENKRSHLAELAC-KGLIPLIRSA-N 360.418 0.571 0 50 FCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 67973960 CFSRQKCOLNJPEW-ZFWWWQNUSA-N 359.405 0.916 0 50 FCAA COc1cccc(N2CCN(C(=O)c3nnc(CN(C)C)o3)CC2=O)c1 71753941 OKSHPVUHDVYBQK-UHFFFAOYSA-N 359.386 0.629 0 50 FCAA O=C(CN1CCC[C@@H](O)C1)N1CCN(c2ncnc3ccccc23)CC1 72412438 WKMAXVVZQXICSQ-OAHLLOKOSA-N 355.442 0.735 0 50 FCAA O=C(COc1ccc(F)cc1)N1C[C@H](O)[C@@H](N2CCC(CCO)CC2)C1 72429572 JAAPDZFMSUAINP-ROUUACIJSA-N 366.433 0.871 0 50 FCAA O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O 82097413 AXXZNTILHWFYSY-UHFFFAOYSA-N 355.354 0.102 0 50 FCAA CN(C)CCN1C[C@H](C(=O)NCCN2CCc3ccccc3C2)CCC1=O 91391379 HZGLGKSSLVJXJT-LJQANCHMSA-N 372.513 0.961 0 50 FCAA CC(C)Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)no1 95358259 PCKHVBXICMDWSL-HZPDHXFCSA-N 364.490 0.801 0 50 FCAA Cn1c(C(=O)NCc2cccc(OC(F)(F)F)c2)cc(=O)n(C)c1=O 95392315 UGYMIEXSYZVHGU-UHFFFAOYSA-N 357.288 0.913 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc[nH]n2)CN1Cc1cc(C)no1 95529291 SRGMNLCKOXREQS-BBRMVZONSA-N 374.445 0.947 0 50 FCAA Nc1nc(N2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)cc(=O)[nH]1 97499706 UXCXTXREGOKPMH-UHFFFAOYSA-N 359.386 0.138 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccccc2-c2ncc[nH]2)C1 97814893 UJLMDNWBWPDSIO-GFCCVEGCSA-N 364.427 0.467 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(CCN)c1)C2 216497029 MCDDNFMROLMNPQ-MSOLQXFVSA-N 358.486 0.699 0 50 FCAA Cc1ccc(O[C@H]2COCC[C@H]2NS(=O)(=O)N2CCN(C)CC2)cn1 222330923 ABFFBAGALVEMTO-CVEARBPZSA-N 370.475 0.008 0 50 FCAA COCCn1cnnc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 244787836 QEPCHTQLGWEXGD-UHFFFAOYSA-N 367.431 0.250 0 50 FCAA CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 253425905 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0.930 0 50 FCAA COCCc1noc(CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n1 243902095 BFVSQOFVSNGBNF-UHFFFAOYSA-N 368.415 0.453 0 50 FCAA CCN1CCCN(C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)CC1 252503523 VELCFXCTINMTDQ-UHFFFAOYSA-N 356.430 0.819 0 50 FCAA COc1cc(OC)cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1 274987874 MJKURMTURMZKJP-UHFFFAOYSA-N 359.400 0.864 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC2CCN(c3ccccc3)CC2)[C@H](O)C1 426575157 SWQNJUWUHOGPRT-RTBURBONSA-N 360.502 0.768 0 50 FCAA CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)[C@H]1NCCc3nc[nH]c31)C2 426595117 YHQWCAVFMUFRNU-HNNXBMFYSA-N 370.461 0.103 0 50 FCAA Cn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc3[nH]c(=O)ccc3c1)CC2 469170190 OKFOZZYOEYIDQF-UHFFFAOYSA-N 372.406 0.369 0 50 FCAA NC(=O)Cc1nc(CCN2CCCC2=O)n(-c2cccc3c2CCC3)n1 670471859 DYHORBGJCFDBNM-UHFFFAOYSA-N 353.426 0.949 0 50 FCAA Cc1nc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cn1C 828189062 WPUPBHIDGAHNFL-LBPRGKRZSA-N 352.416 0.905 0 50 FCAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ncn(-c3ccccc3)n2)C1 888077674 OPMQJTUYIDPBQO-GOSISDBHSA-N 353.430 0.965 0 50 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DIXHIIQKPSAOKJ-CQSZACIVSA-N 370.409 0.406 0 50 FCAA COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C2 65422717 SXDYMDUVIKWACR-UHFFFAOYSA-N 363.395 0.729 0 50 FCAA COc1ccc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1Cn1cncn1 72156112 VTUWNKQABPEPQJ-MVJTYMMSSA-N 358.442 0.899 0 50 FCAA CCc1ccccc1CN1CCN(S(C)(=O)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 72426466 RSOISWMGZOXTCQ-JKSUJKDBSA-N 372.512 0.492 0 50 FCAA CC1=NN(CC(=O)N2CCc3ncnc(N4CC[C@@H](O)C4)c3CC2)CC1 72440522 GKUNOBZOBVXPHD-CQSZACIVSA-N 358.446 0.056 0 50 FCAA O=C(O)c1ccc(C[C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)cc1 72479098 UHBPPBIKKUXFFM-CQSZACIVSA-N 354.428 0.826 0 50 FCAA COCCN1CCN(C(=O)COc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 82086810 HCYFYBIJCNILOF-CVEARBPZSA-N 368.455 0.022 0 50 FCAA CNS(=O)(=O)CCNC(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 91390838 KRGSVPJFRJZBQU-OAHLLOKOSA-N 367.471 0.133 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 91690912 SJMFXMBYVWOEGT-HNNXBMFYSA-N 368.397 0.352 0 50 FCAA Cc1cccnc1CNS(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1 97602451 WVSWFZMXEWWLMJ-UHFFFAOYSA-N 374.466 0.914 0 50 FCAA COc1ccccc1CN1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 216393135 KPESEJUHZOTVPB-CABCVRRESA-N 367.471 0.660 0 50 FCAA Cn1ccnc1CN1CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1 217506579 NKVZQOTZJSFGLV-UHFFFAOYSA-N 352.398 0.615 0 50 FCAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2n[nH]c3c2CCC3)cc1 222634498 PPEDKMXQEHMLAF-HZPDHXFCSA-N 370.409 0.964 0 50 FCAA O=C(NCCCN1C(=O)CNC1=O)N1CCc2c(F)ccc(F)c2C1 267649392 BISITXLRGKPUSP-UHFFFAOYSA-N 352.341 0.974 0 50 FCAA CC(=O)N1CSC[C@@H]1C(=O)NCCc1ccc(OCC(=O)O)cc1 299742315 BCNPZLFUYJGHEN-CQSZACIVSA-N 352.412 0.730 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N2CCCC2=O)cc1 299777848 IAAPMNKTZDZRIY-KRWDZBQOSA-N 369.425 0.900 0 50 FCAA Cc1ncnc(N2CCN(C(=O)CCn3ccc(O)nc3=O)CC2)c1C 299794425 JTMNXLAMUBRTRM-UHFFFAOYSA-N 358.402 0.095 0 50 FCAA Cc1noc(CN2CCc3nc(N(C)C)nc(N4CCC(O)CC4)c3C2)n1 299796852 ORZYBTOZDACCIH-UHFFFAOYSA-N 373.461 0.753 0 50 FCAA CN1CCc2c(Br)c3c(c(OCC(N)=O)c2C1=O)OCO3 826838231 XUGRNGRMDMYXJT-UHFFFAOYSA-N 357.160 0.670 0 50 FCAA biogenic CS(=O)(=O)N1CCOC2(CCN(C(=O)Cc3cccnc3)CC2)C1 827920934 BCRILZZAZQWJNM-UHFFFAOYSA-N 353.444 0.277 0 50 FCAA CCn1c(CCNC(=O)[C@@H]2Cn3c(C)nnc3CN2)nc2ccccc21 844178350 PZTBKJAEXRLTMT-AWEZNQCLSA-N 353.430 0.787 0 50 FCAA Cc1noc(C)c1CCC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096708 KBTLLKBEQZWHFM-QGZVFWFLSA-N 351.403 0.612 0 50 FCAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCOC[C@@H]1OCC(N)=O 1565528805 WSQIQVFWXQQXFH-HOTGVXAUSA-N 363.389 0.934 0 50 FCAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)Cc2cnccn2)cc1 1615721932 MYRZBUQERAUVGF-HOTGVXAUSA-N 356.382 0.471 0 50 FCAA Cc1cccc(Nc2nc(N)nc(CN3C[C@H]4CNC[C@]4(CO)C3)n2)c1 1772805726 PZYARTGULCSUIQ-FZKQIMNGSA-N 355.446 0.520 0 50 FCAA CSCC(=O)N1C[C@@H]2CN(Cc3nccn3C)C[C@]2(CN(C)C)C1 1772812677 NZEKJUYNMJHURE-WMLDXEAASA-N 351.520 0.605 0 50 FCAA NCCCCCOc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1875302038 XTDVDUSWFFNLSE-LBPRGKRZSA-N 359.382 0.596 0 50 FCAA NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 8392255 LKWIFUPAYNDNAW-CYBMUJFWSA-N 373.409 0.535 0 50 FCAA CCOC(=O)[C@@H]1CCCCN1C(=O)c1cn(CCN2CCOCC2)nn1 19838647 ZFXIMAXNOVLBPK-HNNXBMFYSA-N 365.434 0.168 0 50 FCAA CCc1nnc(CNC(=O)C[C@H]2COCCN2S(=O)(=O)C2CC2)s1 72431496 VESFSWJVNDPAEV-JTQLQIEISA-N 374.488 0.300 0 50 FCAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CNS(=O)(=O)c1cccs1)C2 72474187 HAECVRPWQBAKSM-WDEREUQCSA-N 357.457 0.106 0 50 FCAA CN(C)CCN1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O 74192192 OMZSDRAJOKQWSO-CYBMUJFWSA-N 351.476 0.202 0 50 FCAA CNC(=O)c1noc(CN2C[C@H](C(C)C)[C@@H](NC(=O)CCOC)C2)n1 91391116 NPKVKGFHRCYMDH-NEPJUHHUSA-N 353.423 0.038 0 50 FCAA CC(C)n1cnnc1CN(C)C(=O)CNS(=O)(=O)c1cccs1 91725679 AGWVEGHHGBNXOX-UHFFFAOYSA-N 357.461 0.857 0 50 FCAA CCc1cc(C(=O)N2CCN(CCOC)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 91997377 XYYUICMGVCZYFK-CABCVRRESA-N 372.512 0.880 0 50 FCAA CCN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 95376841 ZAPZSFJFHDUYHX-KRWDZBQOSA-N 360.458 0.611 0 50 FCAA 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O=C(O)[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1 263035916 VEALVVPWFPZHQR-CYBMUJFWSA-N 354.384 0.152 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cnc3ccccc3c2)[C@H](O)C1 299760131 RWBMSBIPVBOMAR-IAGOWNOFSA-N 356.426 0.488 0 50 FCAA CCN1CCC(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 299779988 HHDJABDWJXLVOH-UHFFFAOYSA-N 369.491 0.006 0 50 FCAA CN1CCCc2ccc(S(=O)(=O)NC[C@@H](O)c3cnn(C)c3)cc21 366653746 NKKFPRFDOAMEPI-MRXNPFEDSA-N 350.444 0.814 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)NCc3cn4ccccc4n3)CC2)C(=O)N1 426369127 FZJZBSREDUEFTQ-UHFFFAOYSA-N 369.429 0.426 0 50 FCAA CCN(Cc1ccc(C)o1)C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1 584901018 LFRXUFQXBDFXMJ-CQSZACIVSA-N 359.448 0.780 0 50 FCAA CN1CCN(c2cc3c(nn2)CCN(C(=O)NCC2=CCNCC2)C3)CC1 952894581 RXUHLAOIKWWIQS-UHFFFAOYSA-N 371.489 0.216 0 50 FCAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cccc(N)n2)cc1 1565507486 LVWCBDUVXAJJHF-GJZGRUSLSA-N 356.382 0.729 0 50 FCAA CCC[C@H]1CN(C(=O)c2cc3ncccn3n2)C[C@@H]1NS(C)(=O)=O 1565517047 OQTLHFIIHULBMS-AAEUAGOBSA-N 351.432 0.519 0 50 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CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccc(C)cc1 49765305 MMSXPPKURCSIOR-HOTGVXAUSA-N 358.442 0.949 0 50 FCAA Cc1cccc2[nH]c(COCC(=O)N3CCN4CCN(C)C[C@@H]4C3)nc12 67674428 ZLWGHBSLCMDMBT-OAHLLOKOSA-N 357.458 0.846 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)Cn3cncn3)cnn2c1 67947676 PKKOZBUYWFOSKK-CYBMUJFWSA-N 356.434 0.981 0 50 FCAA COC(=O)c1sccc1S(=O)(=O)N1CCc2c(nc(C)[nH]c2=O)C1 71738439 KVXHTQHYABTKOT-UHFFFAOYSA-N 369.424 0.673 0 50 FCAA Cc1nnnn1CCCN1CCCn2nc(CN3CCOCC3)cc2C1 72140394 CMLDJCUJTNYRHR-UHFFFAOYSA-N 360.466 0.306 0 50 FCAA NC(=O)CN1C(=O)[C@@]2(CCN(Cc3cccnc3N)C2)c2ccccc21 72170075 INNDEGKBSAZCSF-LJQANCHMSA-N 351.410 0.639 0 50 FCAA COc1ccc(NC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 72463009 KZLORIWUTNYPAL-KGLIPLIRSA-N 369.443 0.649 0 50 FCAA CC(=O)N1CCc2nc(C3CC3)nc(NCCN3CCNC3=O)c2CC1 72480913 XCQKSVZBZJXNPY-UHFFFAOYSA-N 358.446 0.738 0 50 FCAA O=C1C[C@@H](C(=O)O)C2(CCN(Cc3cnc(N4CCCC4)nc3)CC2)N1 91849056 MEIBBPDRTVSJQL-AWEZNQCLSA-N 359.430 0.632 0 50 FCAA COc1cccc([C@@H]2CCN(C(=O)CN3C(=O)CCNC3=O)C2)c1OC 95502957 XJESNNKWDICUAX-GFCCVEGCSA-N 361.398 0.962 0 50 FCAA Cn1c(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)cc(=O)n(C)c1=O 95527112 YZVKKWHGPSWNTL-LBPRGKRZSA-N 372.410 0.037 0 50 FCAA CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 96131234 AGHHNNYXIDHNSO-HNNXBMFYSA-N 366.487 0.792 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)NCc1ccccc1)C2 212456809 BQRPSBABYRAEQT-CVEARBPZSA-N 358.442 0.907 0 50 FCAA CN(CCc1ncon1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 216290355 DGSIELMJRCMIMQ-UHFFFAOYSA-N 350.400 0.825 0 50 FCAA Cn1cc([C@H](NC(=O)Cn2cnc3ccccc3c2=O)C2CC(O)C2)cn1 218907296 FKFVMLMCEQICNL-OOKWDQIISA-N 367.409 0.758 0 50 FCAA O=C1CN(CC(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)C(=O)N1 222923696 MYFAYDAFRKWQSZ-LBPRGKRZSA-N 370.369 0.389 0 50 FCAA Cc1nc2ncccn2c1C(=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 244700942 JWVVAJBKNKGOMM-HZPDHXFCSA-N 366.425 0.798 0 50 FCAA CN(C(=O)[C@H]1CC(=O)N(c2cccc(O)c2)C1)C1CCS(=O)(=O)CC1 244795569 RIXLZCWWLGXXDD-LBPRGKRZSA-N 366.439 0.781 0 50 FCAA Nc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)cn1 244898832 ZCGWTQSVVPOJRH-IHRRRGAJSA-N 354.414 0.701 0 50 FCAA CCCCCN(C)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248101119 HNPKXQBSEYDEAN-KGLIPLIRSA-N 353.492 0.678 0 50 FCAA CSCC[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252538949 NKWKOYLHRITCKJ-UONOGXRCSA-N 365.455 0.932 0 50 FCAA COC(=O)c1cc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)ccc1OC 262230844 VKHPPGRITRVSRW-HNNXBMFYSA-N 351.403 0.198 0 50 FCAA COc1ccc2c(c1)[C@H](C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)CC2 277190857 FUOCBTSHCAGAAO-OAHLLOKOSA-N 370.413 0.083 0 50 FCAA CCOc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)cn1 328625771 KZVMQIVXJSJJJI-CMPLNLGQSA-N 354.388 0.668 0 50 FCAA Cc1noc(CN2CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)CC2)n1 330359870 WNCLAMQNFATVRR-GOEBONIOSA-N 360.418 0.534 0 50 FCAA C[C@@H]1CN(C(=O)CN2CCn3c(nnc3-c3cccnc3)C2)C[C@@H](C)O1 375874473 QQVKFCMWSHPHPP-ZIAGYGMSSA-N 356.430 0.792 0 50 FCAA CCS(=O)(=O)NCCN1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886096438 HNBDPKKYWITLHK-INIZCTEOSA-N 356.492 0.536 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccccc1-n1ccnn1)C2 952851743 UWRPQPMDRSRYFT-ACJLOTCBSA-N 355.398 0.492 0 50 FCAA O=C(c1ccccc1-n1cnnc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076137991 ZNJOPHMEAUWJSD-CVEARBPZSA-N 351.370 0.845 0 50 FCAA OCCN1CCN(C2CCN(c3ncccc3-c3ncon3)CC2)CC1 1506418094 PAHBHUVQIILUGP-UHFFFAOYSA-N 358.446 0.710 0 50 FCAA Cc1nc(CCNC(=O)c2c[nH]nc2-n2cnnn2)nc2c1CCCC2 1506425567 PPHNCGFQVYEKMS-UHFFFAOYSA-N 353.390 0.335 0 50 FCAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(C)C(=O)[C@H]1C(C)C 1506428833 QXEMCBJWBFBOCB-CQSZACIVSA-N 370.427 0.881 0 50 FCAA COCCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 1529126605 JPJHYAHRAYQQMZ-CVEARBPZSA-N 352.387 0.413 0 50 FCAA O=C(O)[C@H]1CN(C(=O)CCn2ccc(O)nc2=O)C[C@@H]1c1ccccc1 1565506769 BWQMLBGLMXIUKV-KGLIPLIRSA-N 357.366 0.666 0 50 FCAA COCC(=O)N1CC[C@H](NC(=O)c2cccc(Cn3cccn3)c2)[C@@H](O)C1 1565510793 IBNYLHLIPIEEJU-IRXDYDNUSA-N 372.425 0.269 0 50 FCAA N[C@H]1CCN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)C[C@@H]1O 1565531119 ZMEJHFLDSWGCDO-GJZGRUSLSA-N 363.443 0.171 0 50 FCAA CN1CC[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)C[C@@H]2C1=O 1772809739 FESVYWKWGRBEGJ-NEPJUHHUSA-N 352.412 0.557 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3CCOC[C@@H](C(=O)O)C3)CC2)c1 1775983717 SAWWEYIMKANVAA-INIZCTEOSA-N 361.442 0.677 0 50 FCAA CSc1ncc(CN2CCCN(C(=O)CN3CCOC3=O)CC2)cn1 1800410649 ABIIQLMVZSAMCU-UHFFFAOYSA-N 365.459 0.685 0 50 FCAA CN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC12CCOCC2 1857683399 RVGUCDKSIWPYNB-QGZVFWFLSA-N 370.457 0.780 0 50 FCAA COCc1nnc(N2C[C@H](C(=O)NCC3CCOCC3)CC2=O)s1 1857700480 CUDVRWDKWYKRJC-LLVKDONJSA-N 354.432 0.580 0 50 FCAA CS(=O)(=O)c1cnn(CC(=O)Nc2nc3ccc(Cl)cn3n2)c1 1875331438 HRMHSGPDESPNJU-UHFFFAOYSA-N 354.779 0.621 0 50 FCAA CCOC(=O)c1sc(N(C)C(=O)[C@@H]2CCn3nnnc3C2)nc1C 1875341519 WJQXWISMLBDUNR-SECBINFHSA-N 350.404 0.840 0 50 FCAA C[C@@H]1COC[C@@](CO)(CN[C@H]2CCCNC(=O)C2)N1Cc1ccccc1 1875392752 RPXRNAUJQKNJIG-KPFFTGBYSA-N 361.486 0.897 0 50 FCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cc4c(cn3)OCCO4)C2)cc[nH]1 1875397543 DGTBRQPKVZJUQI-CJNGLKHVSA-N 372.429 0.100 0 50 FCAA O=C(Cc1cnn(-c2ccccc2)n1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402862 MTWISLLIELMDNL-ZTFGCOKTSA-N 366.425 0.962 0 50 FCAA N[C@H]1CCc2cc(C(=O)Nc3cn([C@H]4CCOC4)nn3)ccc2NC1=O 1875405855 QACIJPRAPHGCDK-STQMWFEESA-N 356.386 0.704 0 50 FCAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)Cn3nc4ccccc4n3)[C@@H]2C1 2100478182 XXVFVSIRRYXZHQ-APHBMKBZSA-N 357.414 0.573 0 50 FCAA Cn1c(CO)nnc1CC1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 55370339 QUJDCOZBLXJJDP-CQSZACIVSA-N 373.461 0.128 0 50 FCAA CCC[C@H]1COCCN1Cc1cn(C2CCN(S(C)(=O)=O)CC2)nn1 63872435 WSDCUUIDJHDGBG-INIZCTEOSA-N 371.507 0.876 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NC1(CO)CCCC1 72146064 PSMOGBWVNKSNNT-AWEZNQCLSA-N 351.472 0.860 0 50 FCAA NCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3ccc(CO)cc3)CC[C@H]21 72423668 XNEZQZXXHWBJRV-ZWKOTPCHSA-N 359.470 0.910 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(c2ncccn2)C1 72428490 SRJBBOIEYKVQHP-AWEZNQCLSA-N 357.462 0.946 0 50 FCAA O=C1OC2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)CN1CCc1ccccc1 77406339 USFKPKQDHXBQMQ-SJORKVTESA-N 373.453 0.765 0 50 FCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC([C@H](O)CCc2ccccc2)CC1 77537287 ULUWISPJXVDAHJ-MRXNPFEDSA-N 357.410 0.909 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)CN1Cc1cccnc1N 91526178 BVZPVALENGGPKL-KGLIPLIRSA-N 371.445 0.204 0 50 FCAA CSCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91997118 RJRYOZYEBHDPFL-UHFFFAOYSA-N 372.516 0.798 0 50 FCAA COCCn1nnnc1[C@@H]1CN(c2nc(N)nc3c2CCCC3)CCO1 95367448 JYNJSYKPAXHXDD-ZDUSSCGKSA-N 360.422 0.148 0 50 FCAA CC(C)[C@@H]1CN(C(=O)c2sccc2N)C[C@H]1NS(=O)(=O)N(C)C 95367927 PLFDZIMIMPIHNW-CMPLNLGQSA-N 360.505 0.823 0 50 FCAA CNC(=O)N1CCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)CC1 170649699 LMVBDHWXUVPMAD-UHFFFAOYSA-N 360.414 0.898 0 50 FCAA CN1C(=O)CC[C@H](C(=O)Nc2cnn(CC(N)=O)c2)[C@@H]1c1ccccc1 171991291 YLUAQKBSRNHNIY-YOEHRIQHSA-N 355.398 0.917 0 50 FCAA Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCCN(C(=O)C2CC2)CC1 186637846 FBCCXAAYBJCXRO-UHFFFAOYSA-N 356.430 0.999 0 50 FCAA O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1ccc(-n2cnnn2)cc1O 244734595 NILOCPKVUQLBDD-HAQNSBGRSA-N 354.374 0.873 0 50 FCAA NC1[C@H]2CCC[C@H]1CC(C(=O)N1CCN(c3ccc4nncn4n3)CC1)C2 262327086 RDPPCYAWLMHNOH-KZGGZSBBSA-N 369.473 0.927 0 50 FCAA Cn1ccnc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(F)cc3)C2)c1=O 275582470 PEUWIGUEKIHOLM-CABCVRRESA-N 359.405 0.704 0 50 FCAA O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1COCCN1CC1CCC1 287759111 LXTXIIVNPJIOKW-KRWDZBQOSA-N 358.442 0.947 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1O 299764779 FIPZGTCPWQSPSU-GHMZBOCLSA-N 368.381 0.436 0 50 FCAA Cc1nc(CCN(C)C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)no1 299777335 NPMLVVZWNUGMQX-CQSZACIVSA-N 370.475 0.278 0 50 FCAA O=C(NCc1cnn2cccnc12)C1CCN(C(=O)[C@H]2CCCO2)CC1 299785253 YMRWNINDWACZJG-OAHLLOKOSA-N 357.414 0.763 0 50 FCAA Cc1cc(C)nc(SCC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 670468728 CFGDWFPGPIQGEI-KBPBESRZSA-N 352.460 0.089 0 50 FCAA C[C@H](Cn1cncn1)C(=O)N1CCCN(C(=O)CCc2cn[nH]c2)CC1 1529179213 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CCN1CCN(CCc2noc(Cc3c(C)nn(C)c3C)n2)C(=O)C1=O 225605837 GLLIZTBXJYZZTF-UHFFFAOYSA-N 360.418 0.244 0 50 FCAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCN(CCn2cncn2)CC1 299774794 GJIYHWVZVWIPQT-UHFFFAOYSA-N 357.340 0.488 0 50 FCAA Cn1cc([C@@H]2CN(C(=O)CCN3CCCCO3)C[C@@H]2CC(=O)O)nn1 299788707 ZQLZRQYFILFGCW-QWHCGFSZSA-N 351.407 0.249 0 50 FCAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cn1ncn(C)c1=O 328614561 AJVJWFFKMQNQID-JTQLQIEISA-N 372.351 0.518 0 50 FCAA O=C(c1cc(=O)nc2sccn12)N1CCC[C@H](c2ccn(CCO)n2)C1 426361108 DPUIRHFKEOQZBX-LBPRGKRZSA-N 373.438 0.965 0 50 FCAA CC(=O)N1CCO[C@@H](CNC(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)C1 426689263 NYBJJDVCQFDVJV-NSHDSACASA-N 366.349 0.525 0 50 FCAA CCc1cc(N2CCN(C(=O)NCc3cncn3CCOC)CC2)ncn1 426712587 GOCYOYJUZYSVRU-UHFFFAOYSA-N 373.461 0.914 0 50 FCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)Cc1nc2c(s1)CCCC2 584889207 XYCJSVNWJGGVFA-VXGBXAGGSA-N 373.500 0.975 0 50 FCAA CN(C)[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn23)C[C@@H]1O 823730122 OAUCSMMLSSRGPX-YUMQZZPRSA-N 350.853 0.345 0 50 FCAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 888093546 FKEBVEXDZIYNQL-PMUMKWKESA-N 366.462 0.155 0 50 FCAA COc1ccc(CN2CC[C@H](N)[C@@H](O)C2)cc1OCCN1CCOCC1 1565530285 DPPRWTMBZUKZAQ-IRXDYDNUSA-N 365.474 0.300 0 50 FCAA Cc1nnnn1CCC(=O)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615738862 AAXPTQPHEBWYKW-YJBOKZPZSA-N 366.425 0.982 0 50 FCAA COc1ccc(OCCCN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1615739389 IRVGTJCDVFGTFH-PBHICJAKSA-N 372.487 0.648 0 50 FCAA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CCNCC3)CC2)cc1 1857670206 AZABZEBUHRFEOE-GOSISDBHSA-N 367.515 0.662 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(Cc3ccn4nccc4c3)C[C@@]2(CO)C1 1857683051 QRYXORFBAMJKOO-ZBFHGGJFSA-N 350.444 0.020 0 50 FCAA NC(=O)NCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857721017 VJHREFXRLHNENV-HZSPNIEDSA-N 352.822 0.639 0 50 FCAA CC(=O)N1CCN(C[C@H](O)C2CCN(C(=O)c3ncoc3C)CC2)CC1 1857732082 BHYRNCGTSRSQDA-INIZCTEOSA-N 364.446 0.360 0 50 FCAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(c3ncc(C)c(=N)[nH]3)C[C@]23CC[C@H]1O3 1857739042 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CC1CCN(Cc2nnnn2CC(=O)N[C@H]2CCOC(C)(C)C2)CC1 12582865 XAFOEBUFDZWRPW-AWEZNQCLSA-N 350.467 0.979 0 50 FCAA C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(Br)c3)CN2C1=O 14746124 CSJNHGWENUMNTP-ZHAHWJHGSA-N 366.215 0.667 0 50 FCAA O=C(Nc1cccc2ccccc12)N[C@H]1C[C@H]2C(=O)N[C@H](CO)C(=O)N2C1 14748121 FFBZHLBSFGEWBK-MAZHCROVSA-N 368.393 0.422 0 50 FCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncccn2)CC1 15065631 IVAMZTNHTWQIHH-INIZCTEOSA-N 374.489 0.362 0 50 FCAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 20999080 JLEWMABFEANVOH-GOSISDBHSA-N 367.453 0.486 0 50 FCAA O=C(COc1ccc(CNCCN2CCNC2=O)cc1)N1CCOCC1 55153243 RJURXQPIZVYXFG-UHFFFAOYSA-N 362.430 0.039 0 50 FCAA CN(C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 65381466 SOSCYMUEBGCHCH-ZJUUUORDSA-N 357.457 0.275 0 50 FCAA CN1C(=O)C2(CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)c2ccccc21 72124206 VDMMOSKFXQIMDI-UHFFFAOYSA-N 368.393 0.143 0 50 FCAA CC(=O)N[C@@H]1CN(C(=O)COc2cccc(-n3cnnn3)c2)C[C@H]1C(C)C 77521890 MVJWYQBHGJUQCW-DLBZAZTESA-N 372.429 0.660 0 50 FCAA O=C1C[C@]2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)C(=O)N1 82148243 HAXGEBTVLDMQBG-KRWDZBQOSA-N 364.785 0.919 0 50 FCAA Cc1nc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)cc(=O)[nH]1 91459924 OCBKSLMOXXYETR-UHFFFAOYSA-N 355.398 0.889 0 50 FCAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c(OC)c1 91493401 GKCIQPPRGTVDAI-HUUCEWRRSA-N 364.442 0.717 0 50 FCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1c(C)nn(C)c1C)C2 91493737 JSKBYKTYLDRCON-UONOGXRCSA-N 370.475 0.295 0 50 FCAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 91635687 VDLVOKSOXXNRSA-CYBMUJFWSA-N 357.414 0.892 0 50 FCAA CN1CCN(C(=O)N2CCCC2)C[C@@]12CCC(=O)N(CC(=O)O)CC2 91830746 ZAEGNPJAPNLNEO-KRWDZBQOSA-N 352.435 0.286 0 50 FCAA Cc1nn(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)c(=O)c2ccccc12 95356973 JKCWTRQLCNPZRD-AWEZNQCLSA-N 355.354 0.240 0 50 FCAA CC1(C)OC(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1=O 95512605 DJJOQVLTLQJVKR-UHFFFAOYSA-N 359.382 0.728 0 50 FCAA CCN1C(=O)COc2cc(NC(=O)N[C@@H]3C=CS(=O)(=O)C3)ccc21 96141037 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O=C(O)C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCO1 262832004 SEDKPDFLBVHZSJ-KGLIPLIRSA-N 353.419 0.616 0 50 FCAA O=C1OCC2=C1[C@H](c1cccs1)NC(=O)N2CC(=O)N1CCOCC1 263616175 HMQUOSZAAMQEIK-AWEZNQCLSA-N 363.395 0.484 0 50 FCAA COCCN(CC(=O)O)C(=O)c1ccc(N2CCCS2(=O)=O)cc1C 269128713 KIEDDSLFCOAXRY-UHFFFAOYSA-N 370.427 0.708 0 50 FCAA CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)c1 299779507 RTBCOKIGBNVGFA-LBPRGKRZSA-N 368.459 0.839 0 50 FCAA Cc1c(C(=O)N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)cnc2ccnn12 299796489 QQXVWDNYMWOZEM-ZIAGYGMSSA-N 353.386 0.515 0 50 FCAA CCn1cc(NS(=O)(=O)CCCCS(=O)(=O)NCC2CC2)cn1 328598602 NMODPAXEPPCNPL-UHFFFAOYSA-N 364.493 0.754 0 50 FCAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)n1 328614829 WZWNYYQMUBCMRM-CQSZACIVSA-N 355.420 0.692 0 50 FCAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc3nnn(C)c3c2)cn1 330297954 LHKWSFSWDZBTBG-ODCWNRFASA-N 358.427 0.648 0 50 FCAA C[C@H]1CN(CC(F)(F)F)CCN(C(=O)CCC(=O)N2CCOCC2)C1 333962670 NFAPHGOBNLWNTR-ZDUSSCGKSA-N 365.396 0.968 0 50 FCAA CC(=O)Nc1ccc(NC(=S)N2CC[C@H](n3cc(C(N)=O)nn3)C2)cc1 819043380 RJCRAASVDRNXDH-ZDUSSCGKSA-N 373.442 0.979 0 50 FCAA COc1ccccc1N1CCN(C(=O)[C@@H]2Cn3c(C)nnc3CN2)CC1 844165671 PTNSGVGEAYONOQ-AWEZNQCLSA-N 356.430 0.416 0 50 FCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 888098839 WMWQGSVTHXOIDY-GFCCVEGCSA-N 359.401 0.663 0 50 FCAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)NCc2c(C3CC3)cnn2C)n1 952887881 LKEVGEFWKNAVME-AWEZNQCLSA-N 358.446 0.528 0 50 FCAA CS(=O)(=O)NCCC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 1506405898 DJVKTNLERNRWAT-UHFFFAOYSA-N 367.431 0.747 0 50 FCAA CN(CCC(=O)N1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1506407793 LIHHOMMAMAOZTG-GFCCVEGCSA-N 371.425 0.202 0 50 FCAA CC(C)CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)[C@@H](C)C1=O 1506427582 NPNKUKASBSWFMI-LBPRGKRZSA-N 358.402 0.697 0 50 FCAA COc1cccc(OCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704316182 ZEZOGPGHWHNXRY-SWLSCSKDSA-N 372.443 0.097 0 50 FCAA NC(=O)c1noc(CN2CCCN(C(=O)CCc3ccccc3)CC2)n1 1772712003 JHXFTRDOXADYKE-UHFFFAOYSA-N 357.414 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NC(=O)[C@@H]1CCCN(CCCNC(=O)c2cccc(-n3cnnc3)c2)C1 216074741 VITRDKKPHGCDFW-OAHLLOKOSA-N 356.430 0.585 0 50 FCAA Cc1cc(=O)n(CC(=O)NCCc2nc(-c3cccnc3)no2)nc1C 219397690 VACHIQGGMOGCOM-UHFFFAOYSA-N 354.370 0.664 0 50 FCAA Cn1c(O)nc(=O)c2[nH]c(CCC(=O)OCCCCC(C)(C)O)nc21 241466131 NVAHQTPACKCTPL-UHFFFAOYSA-N 352.391 0.779 0 50 FCAA COc1ccnc(N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)n1 275537464 FCQBFTNMQXSXFY-ZDUSSCGKSA-N 359.434 0.758 0 50 FCAA Cc1cc(C(=O)N[C@@H]2CCN(Cc3cccc4nonc34)C[C@H]2O)no1 299794309 JGRCVAJRQSRPLX-IUODEOHRSA-N 357.370 0.884 0 50 FCAA Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 301622161 DSBTWOFCAIFBON-UHFFFAOYSA-N 350.400 0.593 0 50 FCAA O=C1CC[C@H](NC(=O)N2CCC[C@H](n3cncn3)C2)[C@@H]([C@@H]2CCCO2)N1 332880652 COSFVEITPSXVNI-YXWQFLTLSA-N 362.434 0.451 0 50 FCAA CC(=O)Nc1ccc(F)c(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 408361870 KBFRXCNNIOWJFH-UHFFFAOYSA-N 362.361 0.941 0 50 FCAA CC(C)CN1C[C@@H](C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)CCC1=O 670451591 IOZGCSBNSNRODU-HNNXBMFYSA-N 365.474 0.731 0 50 FCAA Oc1cc(CN2CCOC3(CCN(C[C@@H]4CCOC4)CC3)C2)nc(O)n1 828407735 HBBGLASZLKACGL-AWEZNQCLSA-N 364.446 0.591 0 50 FCAA Cc1cc2c(NC(=O)N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)cccc2nn1 1076038517 CKTNUGYAKHYRNI-CABCVRRESA-N 361.427 0.541 0 50 FCAA CN(C)S(=O)(=O)N[C@H]1CCN(CCCCOc2ccccc2)C[C@@H]1O 1565513425 JMSNJAZSWAYBHJ-IRXDYDNUSA-N 371.503 0.677 0 50 FCAA Cc1nc(CN2CC[C@H](NC(=O)c3ccc(=O)n(C)c3)[C@@H](O)C2)cs1 1565514927 JWERMNKTKQFRRV-GJZGRUSLSA-N 362.455 0.515 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)CN3CCOc4ccccc4C3)C[C@H]2O)n[nH]1 1704351081 NPUHVOBIHACGJI-SJLPKXTDSA-N 370.453 0.975 0 50 FCAA CN(CC(=O)N[C@@H]1CC[C@H](C(=O)NC2CC2)C[C@H]1O)Cc1ccncc1 1875251384 DQANRYFUMBAJNE-USXIJHARSA-N 360.458 0.438 0 50 FCAA Cc1cccc(CC(=O)N2C[C@H]3[C@H](CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)c1 1875349050 LANHMZBRALKUJB-WCXIOVBPSA-N 355.438 0.637 0 50 FCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C)nn3C)C2)n1 1875396772 AIJFBWVRYVYXQN-CQSZACIVSA-N 357.462 0.863 0 50 FCAA CC[C@@H](C)C(=O)NC1(CN(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 2325827794 QPOKVRMCKJBHEZ-KGLIPLIRSA-N 373.519 0.954 0 50 FCAA C[C@@H]1CCN[C@@H](C(=O)NS(=O)(=O)c2ccc(Cn3cncn3)cc2)C1 2325860688 PSOITYBVKCBUEJ-IUODEOHRSA-N 363.443 0.519 0 50 FCAA NC(=O)Cc1nc(C[C@H]2CCC(=O)N2)n(-c2ccc(F)c(Cl)c2)n1 2356143555 MOIFQHNHKZYVKL-MRVPVSSYSA-N 351.769 0.909 0 50 FCAA CNC(=O)c1ccc(N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)nn1 2356146659 PFDKIQZDLHXYAK-CXAGYDPISA-N 350.419 0.914 0 50 FCAA CCOC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(CC(=O)OC)ccc2O1 1399656 HTJKCSSIOFPQJV-ZDUSSCGKSA-N 357.384 0.492 0 50 FCAA CCS(=O)(=O)N1CCN(c2ncnc3sc4c(c23)CCNC4)CC1 65369765 UCXYKJNIIGCESV-UHFFFAOYSA-N 367.500 0.809 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)N3CCC(=O)NC[C@@H]3C)cnn2c1 67695640 PFKMBMOYYXSFNG-ZDUSSCGKSA-N 358.446 0.922 0 50 FCAA CC(C)(O)CCc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1 72408015 XHONLXDHLWWWCM-JKSUJKDBSA-N 366.483 0.601 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(c2ncc(F)cn2)C1 72424384 ALQUFRWPBWSEOI-ZDUSSCGKSA-N 361.425 0.960 0 50 FCAA CC1=C(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)SC2=NCCN21 77353326 ZXFHKECGIRNFDM-QGZVFWFLSA-N 366.487 0.322 0 50 FCAA O=C(c1ccc2[nH]nnc2c1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91441798 PXGXXQPHCXPDLF-ZIAGYGMSSA-N 359.430 0.361 0 50 FCAA O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CN3)cc1 91746952 ZMSYVVFHRVDYEF-SOUVJXGZSA-N 365.455 0.330 0 50 FCAA Cc1cccc([C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)c1 91973689 NUMGPDWWQXXLPK-MRXNPFEDSA-N 368.503 0.548 0 50 FCAA Nc1nc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n[nH]1 91985843 WVEJKHABOKPHFJ-WDEREUQCSA-N 350.448 0.338 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(O)c2)CN1Cc1ncc[nH]1 95523289 VLMNRONBJPIJRW-HOCLYGCPSA-N 371.441 0.553 0 50 FCAA COc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1 96139564 RITUTRCSPAXNJH-CZUORRHYSA-N 354.428 0.473 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 162290428 UAGUPUNQWPRZNY-IBGZPJMESA-N 361.486 0.951 0 50 FCAA Cc1c(O)cccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 219944857 KKMQUTVWAJYHAQ-KGLIPLIRSA-N 359.426 0.852 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCCN2)cc1F 237442767 DNKUDBVZIVWWNX-SNVBAGLBSA-N 350.437 0.650 0 50 FCAA O=C(O)CN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CC1 268953537 SDFSNZCFMXEWLO-LLVKDONJSA-N 360.366 0.886 0 50 FCAA CCc1ccccc1OCCN1CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C1 299779521 RXKXYQVMURBVPS-HZPDHXFCSA-N 371.503 0.459 0 50 FCAA O=C(NCc1cc2n(n1)CCN(c1cc(NCCO)ncn1)C2)C1CCC1 299783565 WSCXQBFCBWSIIM-UHFFFAOYSA-N 371.445 0.514 0 50 FCAA O=S1(=O)CCC[C@H](CS(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)C1 333415879 ICIZNCPNCKHZQT-QWHCGFSZSA-N 362.477 0.070 0 50 FCAA NC(=O)NC1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 363975141 UNPPCVVFAXXKBW-UHFFFAOYSA-N 367.494 0.864 0 50 FCAA Cn1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)COC3CCCC3)C2)n(C)c1=O 952848307 DSTOTRBTYAKINJ-OUCADQQQSA-N 352.435 0.049 0 50 FCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccc(N)nc2)cc1 1565513522 PEQCFJYGLJSGKX-GJZGRUSLSA-N 356.382 0.729 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3C[C@H]4[C@H](C3)C4(CO)CO)CC2)c1 1772805647 NSZLFEGWNICIOT-ROUUACIJSA-N 359.470 0.176 0 50 FCAA CC(=O)NCC(=O)N1CC[C@]2(C1)Cn1c(nnc1-c1ccc(C)o1)CO2 1857690481 FQTGKEAAIXMXBU-KRWDZBQOSA-N 359.386 0.484 0 50 FCAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC(=O)N(c2nccs2)C1 1857717112 JRSCSRRZPHRLIF-LURJTMIESA-N 360.321 0.949 0 50 FCAA NS(=O)(=O)c1cnn2c1CN(Cc1c[nH]c(-c3cccs3)n1)CC2 1875393406 MVPSUMPWUVSEIQ-UHFFFAOYSA-N 364.456 0.998 0 50 FCAA O=C(Cc1ccc(-n2cnnn2)cc1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 2100540783 PJFXAKMVXQUDTA-SJLPKXTDSA-N 364.409 0.662 0 50 FCAA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)N[C@H]1CNCC12CCOCC2 2325766237 FYHISPNGJPUWDB-QWRGUYRKSA-N 364.368 0.217 0 50 FCAA CN(C)c1nccc2c1CN([C@H]1CC(=O)N(CCCCC(=O)O)C1=O)CC2 2325767046 OLRXWTSKBFESCT-HNNXBMFYSA-N 374.441 0.888 0 50 FCAA c1cnc(-c2nnc3c(N4CCN(C[C@H]5CCCO5)CC4)nccn23)cn1 2325789378 LYUMGDFQRUULBJ-CQSZACIVSA-N 366.429 0.882 0 50 FCAA CC1=NN(C)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 10363641 QWGYGMAOXDSWID-UHFFFAOYSA-N 356.361 0.910 0 50 FCAA Cn1ccnc1SCCNC(=O)C[C@@H]1C(=O)NCCN1C1CCCC1 12209781 SQVUPJMRWKHJFY-CQSZACIVSA-N 365.503 0.762 0 50 FCAA CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 14961557 QGNFZFUTGWYFKP-QGZVFWFLSA-N 371.416 0.965 0 50 FCAA CCn1c(CC2CCN(c3nc(OC)cc(OC)n3)CC2)nn(C)c1=O 67805466 QBJWWLIMWCJJTD-UHFFFAOYSA-N 362.434 0.868 0 50 FCAA Cc1ccc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)cc1N1CCNC1=O 67967598 OATADISEQUVEKV-ZBFHGGJFSA-N 373.457 0.591 0 50 FCAA Cn1nc(NC(=O)CN2CCOC2=O)c2c(N3CCOCC3)cccc21 72420166 HIEOHWOHCCQSHI-UHFFFAOYSA-N 359.386 0.801 0 50 FCAA O=C(c1ccc(O)nn1)N1CCc2ncnc(N3CC=CCC3)c2CC1 72462728 GJYHVTWOHPLUCB-UHFFFAOYSA-N 352.398 0.980 0 50 FCAA CCC(=O)N1CCN(Cc2cccc3nonc23)[C@H]2CS(=O)(=O)C[C@H]21 72479866 KZMDOJXJSGJLAD-UONOGXRCSA-N 364.427 0.443 0 50 FCAA COc1ccccc1S(=O)(=O)N1CCC2(CC1)CN[C@@H](C(=O)O)C2 91738367 MYRZLSGJAKBKDL-GFCCVEGCSA-N 354.428 0.913 0 50 FCAA Cc1cnc(C(=O)N2CCn3nc(CCC(=O)NC4CC4)cc3C2)cn1 92038564 FDIJMDUHPIRDIH-UHFFFAOYSA-N 354.414 0.849 0 50 FCAA CN(C[C@@H]1COCCO1)C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95384197 JBLZFTRJBRBEIM-OAHLLOKOSA-N 374.441 0.897 0 50 FCAA Cc1nc(-c2cccc(N3CCS(=O)(=O)CC3)c2)n(CC(=O)O)n1 97766735 BMVRBPTYXSGJMF-UHFFFAOYSA-N 350.400 0.573 0 50 FCAA Cc1cccc2[nH]c(COCC(=O)N3CCN4CCN(C)C[C@H]4C3)nc12 106249129 ZLWGHBSLCMDMBT-HNNXBMFYSA-N 357.458 0.846 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4)CC2)c1 221226424 GXFZYSUCCWYYJY-SJORKVTESA-N 356.470 0.854 0 50 FCAA COc1ccc(-n2cc([C@H](C)NC(=O)CN3C(=O)CNC3=O)cn2)cc1 221435074 PKTRZOMCDNBWQF-NSHDSACASA-N 357.370 0.610 0 50 FCAA Cc1ccc(CN2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 247563872 ZRHYAPAPBIZUOU-CVEARBPZSA-N 372.512 0.546 0 50 FCAA COc1ccnc(N2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)n1 275537462 FCQBFTNMQXSXFY-CYBMUJFWSA-N 359.434 0.758 0 50 FCAA Cc1ccc(O)c(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c1 299789266 YNCOGKIXEOGXFD-UHFFFAOYSA-N 364.427 0.602 0 50 FCAA CCCc1noc(CN2C[C@@H](O)[C@H](N(CC)Cc3nnc(C)o3)C2)n1 328622503 BGPZATBRRDJEMT-CHWSQXEVSA-N 350.423 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0.396 0 50 FCAA COCc1c(CN[C@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@@H]2O)nnn1C 1857531019 WBVIBBKLBHAJSF-GMXABZIVSA-N 354.842 0.741 0 50 FCAA CN1CCO[C@H](c2nc(CC(N)=O)nn2-c2cccc3cccnc23)C1 1857721623 YQRCOQOPVTZSQG-AWEZNQCLSA-N 352.398 0.846 0 50 FCAA O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857727025 IQXXZHNFVOGKKG-BEFAXECRSA-N 368.393 0.346 0 50 FCAA O=C1CC2(CCNCC2)[C@@H](C(=O)NCc2cc3c(nc2O)CCC3)CN1 1875336549 BGYXLKSQTQYUQX-CQSZACIVSA-N 358.442 0.398 0 50 FCAA Cc1nc(S(=O)(=O)NCCCn2ccc(O)nc2=O)c2n1CCCC2 1875346253 XTAICGFNAJTTEI-UHFFFAOYSA-N 367.431 0.159 0 50 FCAA C=CC(=O)N1CCN(C(=O)Cc2csc(N3CCNC3=O)n2)[C@@H](C)C1 1875381016 HGZIPLXFCFXFFL-NSHDSACASA-N 363.443 0.461 0 50 FCAA CN(CC(F)(F)F)C(=O)CS(=O)(=O)Cc1nnn(C)c1C(F)F 2325770623 NMSGHKGLNWMJRB-UHFFFAOYSA-N 364.296 0.688 0 50 FCAA C[C@H]1N(c2nnnn2CCCN2CCCS2(=O)=O)CCC1(F)F 2325777512 IHWUDFPGSAGIHE-SNVBAGLBSA-N 350.395 0.333 0 50 FCAA CS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cccc(O)n2)cc1 2356139417 QQCJUZKELJRIOG-CQSZACIVSA-N 350.396 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QBJMAEAQIAKUIA-ZDUSSCGKSA-N 370.475 0.708 0 50 FCAA Cc1ccc(C)c(CN2CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C2)c1 328603161 FFSBMNAZVFDBDA-MRXNPFEDSA-N 370.471 0.850 0 50 FCAA CNC(=O)c1ccc([C@@H]2CCCCN2CCCNS(C)(=O)=O)n1C 328653561 WXXXBTYHIXXATG-AWEZNQCLSA-N 356.492 0.851 0 50 FCAA CN(C)c1nc(-c2ccc(C(=O)N3CC[C@](O)(CO)C3)cc2)ncc1F 426537469 JVINEOOBKYYBCW-GOSISDBHSA-N 360.389 0.918 0 50 FCAA NC(=O)[C@@]1(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)CCOC1 952823724 DAENOYHXVTVITC-MRXNPFEDSA-N 355.797 0.881 0 50 FCAA COc1ccc2c(c1)OC[C@H](CNC(=O)[C@@H]1CCCN(CC(N)=O)C1)C2 952975702 LQOGCLFTVQSCMY-DZGCQCFKSA-N 361.442 0.560 0 50 FCAA COc1cc(C)c(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1C 1529195676 NFFPYHQBKLKUMB-HOTGVXAUSA-N 356.488 0.996 0 50 FCAA O=C(O)c1n[nH]c2c1CN(S(=O)(=O)c1cccc3c1OCCO3)CC2 1608994469 SFLFDGFSVYOXRI-UHFFFAOYSA-N 365.367 0.626 0 50 FCAA C[C@]1(NC(=O)Cc2n[nH]c3ccccc23)CC2(CCNCC2)OC[C@@H]1O 1704298662 BCOJLNZMZURJSQ-WMZOPIPTSA-N 358.442 0.884 0 50 FCAA Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2cccnc2N(C)C)C3)n[nH]1 1775958444 ZVAUVWVUSIJLNJ-AWEZNQCLSA-N 355.446 0.746 0 50 FCAA COc1cccc(OC[C@H](O)CNC(=O)c2cc3n(n2)CCN(C)C3=O)c1 1857675832 KCKSPTWJDGITAO-GFCCVEGCSA-N 374.397 0.147 0 50 FCAA Cc1n[nH]c(C)c1CCc1nnc2n1C[C@@]1(CCN(CC(=O)O)C1)OC2 1857685925 AGDPSHFFLVFQAB-KRWDZBQOSA-N 360.418 0.463 0 50 FCAA CN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc2n(n1)CCN(C)C2=O 1857698287 KCVJXEHVVKGAJB-UHFFFAOYSA-N 366.381 0.890 0 50 FCAA Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)c(=O)n1 1857724204 PTWOHIRYHKFNQS-GFCCVEGCSA-N 361.427 0.486 0 50 FCAA O=C(c1ncc[nH]c1=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857725808 NYNFDEYWGWQLNH-CZUORRHYSA-N 350.378 0.994 0 50 FCAA O=C(CNC(=O)N1CCc2ccccc2C1)NCc1cnc(O)nc1O 1875260976 ZYMUYOAZJMUGAQ-UHFFFAOYSA-N 357.370 0.272 0 50 FCAA C[C@]1(c2ccccc2)CN(c2ncnc3c2ncn3C[C@H](O)CO)CCO1 1875269085 DPXLHXIWWJGDLX-HNAYVOBHSA-N 369.425 0.932 0 50 FCAA CCN[C@H](C)CNC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350672 WNZWZPZZFCAWFJ-SNVBAGLBSA-N 356.386 0.816 0 50 FCAA O=C(CNC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1)NCc1ccccc1 2325768403 RSBIBXNFQQXHPI-KRWDZBQOSA-N 372.469 0.410 0 50 FCAA C[C@H]1OCC[C@@H]1C(=O)N(C)CCNC(=O)c1ccsc1-n1cnnn1 2325866226 DVSCNPQTQGCGIE-MNOVXSKESA-N 364.431 0.337 0 50 FCAA Cn1[nH]c(C(=O)N2CCc3nc(CCc4ccccc4)nn3CC2)nc1=O 2356162627 HEWWFWXXUWGRCJ-UHFFFAOYSA-N 367.413 0.184 0 50 FCAA CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 2134989 VGVCTAXLJZOGTJ-KGLIPLIRSA-N 359.382 0.963 0 50 FCAA biogenic CCOC(=O)c1ccc(NC(=O)CSc2nnnn2CCCO)cc1 3612371 GGAUGKYNUUZHKJ-UHFFFAOYSA-N 365.415 0.963 0 50 FCAA Cc1nc(C)c(C(=O)N2CCn3nc(C(=O)NCCN(C)C)cc3C2)o1 67771302 KYOSCUWCQHIYJM-UHFFFAOYSA-N 360.418 0.435 0 50 FCAA CNC(=O)CN1C(=O)N[C@@](CCc2ccccc2)(C2CCNCC2)C1=O 67783955 DQHXFAIZWMAMPS-IBGZPJMESA-N 358.442 0.655 0 50 FCAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1cnccn1 72432898 PEUJPDVJGMGXDQ-AWEZNQCLSA-N 358.398 0.795 0 50 FCAA CCCCN1CCN([C@@H](C(=O)N(C)CCO)c2ccccc2)C(=O)C1=O 77485651 OGGKMQGMQWRIOH-MRXNPFEDSA-N 361.442 0.649 0 50 FCAA CN1CCN(C(=O)N2CCCCC2)C[C@@]12CCC(=O)N(CC(=O)O)CC2 91444564 YAOGURNOKHMLOZ-SFHVURJKSA-N 366.462 0.676 0 50 FCAA CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91452659 YTZHRFBSKVAUIF-AWEZNQCLSA-N 361.446 0.619 0 50 FCAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]nc1-n1cnnn1)C2 91644310 QNNDFJZYKOXVLN-QWHCGFSZSA-N 370.417 0.415 0 50 FCAA COc1ccc(CCN2C[C@H](C(=O)N3CCNC(=O)CC3)CCC2=O)cc1 91713177 MDRZVFKQWOOZBM-MRXNPFEDSA-N 373.453 0.825 0 50 FCAA O=C(CCc1nc(Cl)n[nH]1)N1CC[C@]2(CCCN(CCO)C2=O)C1 91860717 KNJBZQXFLSMUHH-OAHLLOKOSA-N 355.826 0.224 0 50 FCAA O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1 95354792 IBFCMZUIUJKYRZ-AWEZNQCLSA-N 364.427 0.797 0 50 FCAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)C1CCN(C2CCOCC2)CC1 96153241 FFVQYJPAJKQMLJ-INIZCTEOSA-N 362.430 0.639 0 50 FCAA CN1C[C@H]2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C[C@@]2(C(=O)O)C1 96162475 RIDOZANWXOZMFH-SJCJKPOMSA-N 367.833 0.652 0 50 FCAA C[C@H](NS(C)(=O)=O)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 109698948 ROICXALIHAXMFC-VIFPVBQESA-N 372.834 0.986 0 50 FCAA COc1cccc(CC(=O)N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)c1 212472970 SXSZDAXKGHQFBN-RDJZCZTQSA-N 370.409 0.420 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)N(CCO)Cc1nccn1C 215700543 IFUIQFJSDJGQOW-UHFFFAOYSA-N 357.418 0.428 0 50 FCAA NC(=O)[C@H]1CN(Cc2cc(-c3ccccn3)ccc2OCC(=O)O)CCO1 216263402 HTATZPILSCCNTJ-QGZVFWFLSA-N 371.393 0.898 0 50 FCAA CCCS(=O)(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 219197353 KPHCYJOYVHKZGS-OAHLLOKOSA-N 353.448 0.644 0 50 FCAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2CCS(=O)(=O)CC2)cn1 220483644 JRFCDOQDAFZSOA-CVEARBPZSA-N 368.455 0.867 0 50 FCAA Cn1cc([C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)[C@H]2C[C@H](O)C2)cn1 222688571 GNSVNDNJJPNLKX-NVBFEUDRSA-N 353.382 0.899 0 50 FCAA Cc1ccc(O[C@H]2COCC[C@H]2NS(=O)(=O)c2cn(C)cn2)cn1 222821052 RHOGNLLGHWIZBF-KGLIPLIRSA-N 352.416 0.638 0 50 FCAA CCOC(=O)[C@H]1CCCN(Cc2nnc([C@H]3C[C@H](NC(C)=O)C3)n2C)C1 243902118 BGGBSQDVYSOEOZ-KKUMJFAQSA-N 363.462 0.972 0 50 FCAA CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 269626053 VEMVEAOXXXKPNA-CYBMUJFWSA-N 367.427 0.252 0 50 FCAA Cn1cnc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 289995378 XSYJRONOCXWTQK-UHFFFAOYSA-N 352.398 0.824 0 50 FCAA Cc1cc(N)n(CC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1 299772879 BPAXJVKZUUWTFG-UHFFFAOYSA-N 359.434 0.285 0 50 FCAA COC[C@@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1ccnn1C 299796196 OFQAYKYGXFNTKX-CYBMUJFWSA-N 372.429 0.954 0 50 FCAA CCn1nc(C)c(S(=O)(=O)N2CCOC[C@H]2c2nnc(C)o2)c1C 333007822 ALPWPSOOEHOCRB-LBPRGKRZSA-N 355.420 0.973 0 50 FCAA Cc1nc2ccc(N3CCC(CNC(=O)c4cnn(C)c4)CC3)nn2n1 333451321 NRAJFPYBYNASPT-UHFFFAOYSA-N 354.418 0.813 0 50 FCAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](S(C)(=O)=O)C1 408071598 OBDHZYOLHUAHPI-XDQVBPFNSA-N 352.522 0.792 0 50 FCAA O=C(NS(=O)(=O)C[C@@H]1CCCO1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 408489328 RMYWOXLSSOQBSX-LXUNUROVSA-N 357.350 0.967 0 50 FCAA COCCc1noc([C@H]2CCCCN2C(=O)NCCc2nncn2C)n1 426548567 SOYGEOJJQVQVHS-GFCCVEGCSA-N 363.422 0.866 0 50 FCAA CN(CCNc1cc([C@H]2CCOC2)ncn1)C(=O)CN1CCCCC1=O 426647928 NEJMTLJCVBAXES-AWEZNQCLSA-N 361.446 0.863 0 50 FCAA CN1CCC([C@H]2OCC[C@@H]2C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 498242374 IJYQNCDKIDHHBD-LSDHHAIUSA-N 358.504 0.769 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)N[C@@]2(C(=O)O)CCCc3ccccc32)C1 952868329 JUWXRJRBAGNMLM-KUHUBIRLSA-N 359.426 0.616 0 50 FCAA Cc1ccc(C(=O)N2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)cc1F 1565507941 STESKQXEPCZHTA-KBPBESRZSA-N 359.423 0.106 0 50 FCAA Cc1ccc(CCC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1616070099 AHUKPDGUBWDNNQ-CVEARBPZSA-N 354.472 0.638 0 50 FCAA COCC1CCN(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704336717 LJFLIPNPDYMIFK-SJORKVTESA-N 369.487 0.832 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)CCCc2cn[nH]c2)[C@H]1c1cnn(C)c1 1857716571 AWNHXFAKEDVSQQ-WMZOPIPTSA-N 360.462 0.996 0 50 FCAA COc1ccccc1-c1noc(CCC(=O)N2CC[C@H](CO)[C@H](O)C2)n1 1857721974 ALMXRUQXVLYSQW-TZMCWYRMSA-N 361.398 0.880 0 50 FCAA 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357.395 0.926 0 50 FCAA O=C1NCCN(C(=O)c2coc(COc3cccc(F)c3)n2)[C@@H]1CCO 67643634 JWVIWMUJNJILSJ-CQSZACIVSA-N 363.345 0.716 0 50 FCAA COc1c[nH]c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1=O 72129192 ARNCQAMUVBJCIB-MSOLQXFVSA-N 369.421 0.932 0 50 FCAA O=C1NC(=O)[C@@H](CC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)N1 72438997 BNVDHGNYKBOVOG-MRXNPFEDSA-N 356.426 0.286 0 50 FCAA Cc1ccnc(OCC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)n1 72441547 YNBPGYICKBWXFV-UHFFFAOYSA-N 371.445 0.677 0 50 FCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@H]4C2=O)c1 77469734 IZUVGIVQXYKIQC-BOSXTWCSSA-N 370.405 0.180 0 50 FCAA CCS(=O)(=O)N1C[C@@H]2CN(c3ncccc3Cl)C[C@]2(C(=O)O)C1 92038184 WHEAHAUPOGMJKZ-HZMBPMFUSA-N 359.835 0.908 0 50 FCAA O=C(CN1CCOC1=O)N1CCc2nnc(Cc3ccccc3)n2CC1 95531818 VDHXMFPRNXWHKM-UHFFFAOYSA-N 355.398 0.706 0 50 FCAA Cc1csc(N(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C2CC2)n1 151038277 WOCLMCUKVBZGNP-UHFFFAOYSA-N 374.426 0.394 0 50 FCAA Cn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 169615994 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KXKIKECIOHYWTP-LLVKDONJSA-N 371.434 0.704 0 50 FCAA CC(CO)(CO)NC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 67740907 QGSHTCAWJSGOBX-QGZVFWFLSA-N 358.385 0.151 0 50 FCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 67790767 XETIHIXJGDXQGA-ABAIWWIYSA-N 361.373 0.985 0 50 FCAA COCCOC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77485830 IXFYDVPCZAWCET-UHFFFAOYSA-N 367.450 0.610 0 50 FCAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)C2(C(N)=O)CC2)CC1 77564217 YSPZDZKUZMBVTR-UHFFFAOYSA-N 374.489 0.773 0 50 FCAA COC(=O)[C@@H](C)N1CCCn2nc(CCC(=O)N3CCOCC3)cc2C1 82114739 MPYMUHFCHCUVPX-CQSZACIVSA-N 364.446 0.442 0 50 FCAA CCC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1NS(C)(=O)=O 82161401 AFIRDWZMFYBIGA-TZMCWYRMSA-N 370.475 0.106 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2noc(C)c2CO)CN1CC=C(C)C 91305599 OFTQBMFMFDZWCK-ZFWWWQNUSA-N 364.446 0.750 0 50 FCAA CN(CCO)C[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)C[C@@H]1CO 91526192 VMKHRPLZCYECDZ-ZIAGYGMSSA-N 358.385 0.893 0 50 FCAA COC[C@]1(O)CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1(C)C 91830271 ADXRMKCTHYHFLC-GOSISDBHSA-N 361.398 0.650 0 50 FCAA Cc1nc(N)nc(N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c1Cl 95378186 JBAPYGAJRJNRSD-SECBINFHSA-N 353.810 0.923 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)C2CCN(Cc3ccco3)CC2)CC1 95386035 SWJPSEZMPWRHQN-UHFFFAOYSA-N 355.460 0.595 0 50 FCAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 96139726 DNPWWBCPEVMWOU-LSDHHAIUSA-N 361.427 0.679 0 50 FCAA CC(C)N1CCO[C@@H](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 97172934 RKGWURGENQRCRR-AWEZNQCLSA-N 355.460 0.450 0 50 FCAA O=C1CN(c2ccc(C(=O)NCc3cn4c(n3)SCC4)cc2)C(=O)N1 97436886 XZLOBNPYCBJXDN-UHFFFAOYSA-N 357.395 0.975 0 50 FCAA CC(C)CNC(=O)c1cccc(NC(=O)NCCNS(C)(=O)=O)c1 97681758 GUINYWPEUZXLQP-UHFFFAOYSA-N 356.448 0.743 0 50 FCAA CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)NC(=O)N3)CC2)cc1 97694864 CPHQWUWIJCTZKF-HNNXBMFYSA-N 358.398 0.526 0 50 FCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1cnn(C)c1)C2 219738066 DNLRUXAAGIYPLW-CABCVRRESA-N 369.491 0.082 0 50 FCAA NC(=O)c1cccnc1N1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 220001670 UJKJQKSGSSSPII-OAHLLOKOSA-N 358.373 0.702 0 50 FCAA O=C(O)c1csc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1 220120458 JPLGXOSMPQAKFI-ZDUSSCGKSA-N 372.410 0.971 0 50 FCAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c[nH]cn1)C2 222742971 OEFKDWSFIUQKRQ-QGZVFWFLSA-N 355.402 0.396 0 50 FCAA Cc1c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)nnn1C1CCNCC1 237736001 UIAXNKCRXJZYTJ-QGZVFWFLSA-N 368.441 0.824 0 50 FCAA CS(=O)(=O)N(CC(=O)N1CCN2CCC[C@H]2C1)c1cccc(F)c1 244866430 VWCDEOMHCDPVQS-HNNXBMFYSA-N 355.435 0.898 0 50 FCAA O=C(c1ccc(-n2cnnn2)cc1)N1CCCO[C@H](CN2CCCC2)C1 252504513 VJQXDIHOYNLLRZ-QGZVFWFLSA-N 356.430 0.989 0 50 FCAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCn3ccc(O)nc3=O)[C@H]2C1 299773407 AJESRHPQBMWOJV-IIYDPXPESA-N 351.403 0.524 0 50 FCAA Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)no1 363416850 VKEJMKYKTKQSIL-YAYDYNKSSA-N 359.382 0.809 0 50 FCAA NC(=O)c1cn(C2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3)C2)nn1 378546101 VSWNQMWUAVTROU-OAHLLOKOSA-N 368.397 0.065 0 50 FCAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)c1cnn3ccn(C)c13)CC2 534632394 YPWOKOYWWHGNLG-QIIPPGSGSA-N 359.430 0.961 0 50 FCAA Cc1ccn(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)c(=O)c1 886085010 UEPQTWLCVAAMIC-CXAGYDPISA-N 357.414 0.369 0 50 FCAA O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)N1CCOCCN1 894223610 WSSYUMZTYNRCHI-UHFFFAOYSA-N 354.432 0.273 0 50 FCAA CN(C)[C@@H]1CCN(Cc2cn(C)nc2C(=O)NCCc2ccn(C)n2)C1 952888225 NRGPNCUEOUPTCS-MRXNPFEDSA-N 359.478 0.262 0 50 FCAA CCCn1nc(C)c(NC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 1076014972 MOCJFPZVQHOIKK-OLZOCXBDSA-N 355.464 0.513 0 50 FCAA CN(C)C(=O)N1CCC(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)CC1 1076112940 IBOIFMNKPQPDRX-CABCVRRESA-N 362.434 0.344 0 50 FCAA CN1CCN(CCCOc2ccccc2CNCc2nc(O)n[nH]2)CC1 1506396088 BQTWRXCMKMHSBE-UHFFFAOYSA-N 360.462 0.816 0 50 FCAA COc1cccc(CC(=O)N2CCCN(CCS(C)(=O)=O)CC2)c1 1772709943 KVXNBYMBDQRKKV-UHFFFAOYSA-N 354.472 0.817 0 50 FCAA O=C(c1nc(=O)c2ccccc2[nH]1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857737139 YZGPKECDWRSOSO-ACJLOTCBSA-N 354.366 0.487 0 50 FCAA O=C(NCCc1cnc[nH]1)c1cn2c(n1)CCN(C(=O)[C@H]1CCCO1)CC2 1875250754 FCRFPQPAIWQMIK-OAHLLOKOSA-N 372.429 0.142 0 50 FCAA C=CC(=O)N(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 1875366992 DZMXALRRTLRLPY-PBHICJAKSA-N 352.431 0.838 0 50 FCAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)C1(n2cncn2)CC1 1875403607 WMYFDCCXPVCBMU-CYZMBNFOSA-N 350.810 0.573 0 50 FCAA Cc1nc2c(C(=O)NCc3ncc4c(n3)CCN(C)C4)ccnc2n1C 2100477981 PZFPWJKXPNIWDK-UHFFFAOYSA-N 351.414 0.985 0 50 FCAA C[C@@H]1C[C@H]1c1ccc(C(=O)N2CC(C)(NC(=O)c3cn(CCO)nn3)C2)o1 2325830070 ZQJYAADXLRLPOS-VXGBXAGGSA-N 373.413 0.631 0 50 FCAA COc1ccc(C)cc1CC(=O)N(C)C[C@H]1COCCN1C(=O)CO 2325875114 GPWGTHXBBBRMOA-HNNXBMFYSA-N 350.415 0.224 0 50 FCAA O=C(NC[C@H]1OCCc2ccccc21)c1cn(CCN2CCOCC2)nn1 15074207 FHUZOJAJYGDACL-GOSISDBHSA-N 371.441 0.654 0 50 FCAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C[C@H](O)CO)CC1=O 39344879 NJOJJDXQEGJMLQ-ROUUACIJSA-N 368.449 0.864 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCc1nc2cccnc2n1C 67893999 WQIRGKVAGMCPAB-JSGCOSHPSA-N 358.446 0.354 0 50 FCAA O=C(Cn1nc2c(cc1=O)CCCC2)N[C@H](Cc1ccccc1)C(=O)O 71335589 LPAVZNSKIJSMMI-MRXNPFEDSA-N 355.394 0.934 0 50 FCAA CC(=O)N1CC2(CCN(c3nc(C(N)=O)cs3)CC2)C[C@H]1C(=O)O 72145377 NLRVJOLQXVEVNW-NSHDSACASA-N 352.416 0.534 0 50 FCAA CCN1CCN(C(=O)NCCc2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 77287526 VTILCHLIGUCNAZ-KGLIPLIRSA-N 357.501 0.803 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ncccc2C)[C@H]3C1=O 77538707 DBGANZCNJXEIJX-BOSXTWCSSA-N 371.437 0.777 0 50 FCAA COC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc[nH]n2)cc1 92077691 AZNIZCAHBRJLRY-LBPRGKRZSA-N 366.443 0.995 0 50 FCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cnccn3)CC2)c1 95352838 RLWAETTYAFFJAQ-UHFFFAOYSA-N 365.390 0.226 0 50 FCAA COCCN1CC[C@]2(CCC1=O)CN(C(=O)c1ccccn1)CCN2C 95373799 UOIJDZNMEIRVCM-LJQANCHMSA-N 360.458 0.867 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc(-n3cnnc3)nc2)C1 97243904 JKRYIDUDXZUVJA-LBPRGKRZSA-N 364.431 0.064 0 50 FCAA CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](N2CCNC2=O)C1 139378991 VWDDVQPPWRRRHI-CQSZACIVSA-N 374.441 0.831 0 50 FCAA CC[C@H](C(=O)OC)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 170611029 YCAHIAFLCHVUHD-INIZCTEOSA-N 361.442 0.646 0 50 FCAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 247940096 IALRDISIOJHVAL-MNOVXSKESA-N 373.504 0.443 0 50 FCAA Cn1cc(C(=O)N2CCCN([C@H]3COC[C@@H]3O)CC2)c(=O)c2ccccc21 252508420 XNDATDRIXRKSME-ROUUACIJSA-N 371.437 0.446 0 50 FCAA C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 252693646 FITUUBFJCVHWRH-HKMBFBJRSA-N 369.421 0.730 0 50 FCAA biogenic O=C(O)[C@@H]1CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCO1 262064153 HONFWHRRZBLIBJ-NSHDSACASA-N 351.750 0.306 0 50 FCAA CN1CCN(C)[C@@H](CNC(=O)NCCNC(=O)c2ccc(F)cc2)C1 264850108 MYGZQGCGQSRTRI-HNNXBMFYSA-N 351.426 0.101 0 50 FCAA CCn1ccnc1CN(C)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 299764388 SFZLGFGMYPLUGN-HNNXBMFYSA-N 368.503 0.761 0 50 FCAA O=C(C1CCN(C(=O)[C@@H]2CCCCn3nnnc32)CC1)N1CCOCC1 299770242 QFMULACQVMXLDF-CQSZACIVSA-N 362.434 0.038 0 50 FCAA 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CCOC(=O)c1cc(/C=c2/s/c(=C\C(=O)c3ccco3)nc2O)[nH]n1 2325854632 NPFIITCUEZFWOJ-GUZOQHLSSA-N 359.363 0.834 0 50 FCAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCO2)cc(OC)c1 55107436 YHHRGHSHTKIUFN-MRXNPFEDSA-N 363.414 0.558 0 50 FCAA CC[C@]1(C2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)NC(=O)NC1=O 67956096 LSAOCIMOAWWMCZ-MRXNPFEDSA-N 366.805 0.869 0 50 FCAA Cc1cc(C)nc(N2CCN(S(=O)(=O)c3c(N)noc3C)CC2)n1 71195452 RYXACBCFTGCFKR-UHFFFAOYSA-N 352.420 0.483 0 50 FCAA COc1ccccc1CNC(=O)CN1CCC[C@@](O)(CNC(C)=O)CC1 72171362 OSYAOAQNPBNTLL-IBGZPJMESA-N 363.458 0.665 0 50 FCAA O=C(c1ccon1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72429847 DBULOHUTKIGUCM-CVEARBPZSA-N 361.423 0.798 0 50 FCAA O=C(NC1CCC1)[C@@H]1CN(C(=O)CN2CCOc3ccccc3C2)CCO1 72439787 NEKBZKRSZFNIMM-SFHVURJKSA-N 373.453 0.777 0 50 FCAA CSCCCN1CCN(Cc2[nH]cnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 72474934 PHQKCEZAHOGMBX-LSDHHAIUSA-N 358.533 0.754 0 50 FCAA COCC(=O)N1CCN(Cc2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 77455511 RDUVQFPYFCRESE-DLBZAZTESA-N 366.483 0.760 0 50 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NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 129817995 OOUMVFZXLGIECO-BXKDBHETSA-N 372.809 0.995 0 50 FCAA O=C(O)c1cc(C(=O)O)cc(C(=O)OC([C@@H]2CO2)([C@@H]2CO2)[C@@H]2CO2)c1 139882285 ZJTWUOJJHZVZFW-SRVKXCTJSA-N 350.279 0.175 0 50 FCAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2sccn2c1=O 219830499 ANVJBMOUWPUHMW-OLZOCXBDSA-N 366.443 0.222 0 50 FCAA Cc1cc(C)n(CC(=O)N2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)n1 219954352 GBZBPGIOGDRIHP-MRXNPFEDSA-N 374.445 0.251 0 50 FCAA Cn1nc2n(c1=O)C[C@@H](C(=O)NC1CCN(c3ccccc3)CC1)CC2 222292604 YUKKYXVZAYRJPX-AWEZNQCLSA-N 355.442 0.929 0 50 FCAA O=C(N[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1O)c1cnccn1 222420934 OLSWLTTZSUQSBJ-YOEHRIQHSA-N 365.393 0.963 0 50 FCAA CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)S(=O)(=O)C2COC2)CC1 330205853 DTAXWHLZIYWIQN-DLBZAZTESA-N 359.536 0.984 0 50 FCAA CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1=O 333083718 XTMYSEUMFVCJCX-RYUDHWBXSA-N 353.444 0.340 0 50 FCAA NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 408213960 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O=C(NCc1csc2c1CCCC2)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1565514581 WJWYFONVUGOULS-KGLIPLIRSA-N 369.512 0.907 0 50 FCAA COC[C@H]1[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2OC)[C@H]2CCO[C@H]21 1565516978 HZNKBFJGGXREPD-UEEZHKSASA-N 370.427 0.122 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(F)cc1 1704335602 OZVBWFIOPWKWAW-ZFWWWQNUSA-N 358.435 0.781 0 50 FCAA O=C1C[C@H]2N(Cc3cnc(N4CCOCC4)s3)CC[C@]23OCCCN13 1857712565 QSQRJPFSMAQQCQ-PBHICJAKSA-N 364.471 0.903 0 50 FCAA O=C(C(=O)N1CCN(C(=O)c2ccc3c(c2)COCC3)CC1)N1CCCC1 1875280423 IFAUWJKEIYOMAI-UHFFFAOYSA-N 371.437 0.666 0 50 FCAA Cn1nc(C(=O)N[C@H]2C[C@H](NC(=O)c3nc[nH]c4nccc3-4)C2)cc1O 1875341902 NJJOXFNRPDDPNI-KYZUINATSA-N 355.358 0.039 0 50 FCAA CN1CCc2ccc(-c3nc(CC(N)=O)nn3[C@@H]3CCCC[C@H]3O)nc21 1940197946 DBESHRKWNPGOQD-ZIAGYGMSSA-N 356.430 0.836 0 50 FCAA Cn1ccnc1C[C@@H]1CCCN1C(=O)Cn1nnn(-c2cccs2)c1=O 2325810827 HJLRXDCKBZZUTO-LBPRGKRZSA-N 373.442 0.458 0 50 FCAA CCOC(=O)[C@H](NC(=O)[C@@H](O)C1(O)CCOCC1)c1ccc(Cl)cc1 2325861406 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356.426 0.466 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)CN2CCCC2=O)C1 220183330 ZIVPFNNWJLYGFG-BETUJISGSA-N 357.418 0.045 0 50 FCAA Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(O)C2)n1 222635317 KQRYFDAZAZQRLG-UHFFFAOYSA-N 363.443 0.599 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCNC2)cc1F 237442438 BEWVVCTZQHPLTR-NSHDSACASA-N 364.464 0.897 0 50 FCAA Cn1cc([C@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCO2)cn1 267524016 HFCHVBNMXDPECY-CQSZACIVSA-N 365.411 0.954 0 50 FCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)C1=O 269081631 GZMQXDDXBGBFMI-FZKQIMNGSA-N 359.382 0.519 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 283015342 PUJKDHPQVFJFPX-ZWKOTPCHSA-N 355.442 0.972 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)CCO1 299751193 PVHTYQVFJDJRRD-OLZOCXBDSA-N 354.309 0.630 0 50 FCAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1 299789424 ZXNHTCBYKUBFEK-LBPRGKRZSA-N 358.446 0.795 0 50 FCAA COCCn1cncc1CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 299799266 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369.476 0.137 0 50 FCAA COc1cccc(-n2cc(CNC(=O)Cc3cc(O)nnc3O)cn2)c1 824792420 DLKHNSJACMCRLP-UHFFFAOYSA-N 355.354 0.941 0 50 FCAA Cn1nc(C[C@H]2CCCC[C@H]2NS(=O)(=O)CC2CCC2)n(C)c1=O 888098656 JTPLVUSXKBZPKF-ZIAGYGMSSA-N 356.492 0.940 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(C)C3(CCN(C)CC3)C2)C1 1506423768 IRHUUVXTTKQTKL-INIZCTEOSA-N 374.551 0.301 0 50 FCAA COc1ccc(C)cc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529191976 LMMHVQAOOIWYEU-GXTWGEPZSA-N 356.444 0.328 0 50 FCAA Cc1ccc(OCC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1615963274 ARPXGFUMQZKLFR-HIFRSBDPSA-N 356.444 0.085 0 50 FCAA O=C1CN(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)C(=O)N1 1704340847 NPNYXWWBSYTHFR-CZUORRHYSA-N 368.393 0.460 0 50 FCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)COc3ccc(F)cc3)C[C@@H]12 1857695523 NBTCRYCBFCIYGR-KKUMJFAQSA-N 356.419 0.390 0 50 FCAA Cc1ccc2oc(N3CCC(C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC3)nc2n1 1857729195 MOZXVCNRAZJZRQ-MFKMUULPSA-N 361.402 0.099 0 50 FCAA CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccncn2)CC1 1875316127 WJWFRGBCGSXTQD-ZDUSSCGKSA-N 353.448 0.085 0 50 FCAA Cc1ncc(CNC(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)s1 1875393545 OESSHLWDLCTVJO-CYBMUJFWSA-N 369.472 0.360 0 50 FCAA CCc1ccccc1CCNC(=O)C(=O)NCCN1CCCS1(=O)=O 2325818192 GHHVINGNIJAFEF-UHFFFAOYSA-N 367.471 0.059 0 50 FCAA C=CC(=O)NCC(=O)N[C@@H]1Cc2ccc(Br)cc2NC1=O 2325888786 ZHRZDDJLIICGOL-LLVKDONJSA-N 352.188 0.731 0 50 FCAA Cn1ccc2ccc(-c3nc(CC(N)=O)nn3[C@H]3CCS(=O)(=O)C3)nc21 2356150883 DSTWNHRXYHITFI-NSHDSACASA-N 374.426 0.219 0 50 FCAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNCCO)cc12 2852722 FFLVMHGGFPJUGM-ZDUSSCGKSA-N 350.415 0.985 0 50 FCAA Cn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 4174783 YMDMBQFJGRGTTQ-UHFFFAOYSA-N 350.400 0.693 0 50 FCAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)cc1 6800324 ZDIVMPYSUBNAAN-UHFFFAOYSA-N 365.411 0.417 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)Nc3ccccc3C(F)(F)F)C[C@H]12 65398024 XLNLYDFNIHUOCG-LLVKDONJSA-N 356.304 0.880 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C 67713046 GHCNGIMOEBCHKK-PBHICJAKSA-N 355.442 0.706 0 50 FCAA Cn1c(=O)c(Cn2ncc(N3CCNCC3)cc2=O)cc2ccccc21 72150058 KQGGTVXBHMDRSY-UHFFFAOYSA-N 351.410 0.553 0 50 FCAA CN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCCN(CCc2ccccc2)C1 72162933 HREBXMHIUYQEBM-QGZVFWFLSA-N 370.453 0.771 0 50 FCAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)CNC(N)=O)C1 72447838 FANKZOOHDIUMJO-CYBMUJFWSA-N 363.466 0.175 0 50 FCAA CCCOC(=O)N1CCN(Cc2cnn(CC)c2)[C@H]2CS(=O)(=O)C[C@H]21 72468020 RSFRLJZTPRIDBC-LSDHHAIUSA-N 370.475 0.733 0 50 FCAA CCC(=O)N1CCN(C(=O)c2cc(C3CC3)no2)[C@H]2CS(=O)(=O)C[C@H]21 72473608 NBBPOWLCFXBMBC-OLZOCXBDSA-N 367.427 0.412 0 50 FCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCO)[C@H]4C2=O)c1 77406058 FCJUGJONLVDYQC-BOSXTWCSSA-N 372.421 0.428 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1cn(CC[C@H]3CCCCN3)nn1)C2 82166884 VXWQWSWIKJBNNB-CYBMUJFWSA-N 371.445 0.368 0 50 FCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(c1ccnc(N)n1)CC2 91325913 VIPLBHFUAWTPKB-UHFFFAOYSA-N 363.447 0.095 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 91364994 ICMPBFNHQVNEIE-GDBMZVCRSA-N 369.425 0.055 0 50 FCAA COc1coc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)cc1=O 92020682 HYFNZNYDCXKIGV-WDEREUQCSA-N 356.400 0.144 0 50 FCAA O=C1CC[C@]2(CCCN(C(=O)Cn3nc4ccccc4n3)C2)CN1CCO 95505723 ADIMURNNEITCJQ-IBGZPJMESA-N 371.441 0.655 0 50 FCAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 95518353 IXYIDUHMAAGPEM-INIZCTEOSA-N 356.426 0.809 0 50 FCAA C[C@@H](c1ccon1)N(C)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O 95524024 PPCOCDFCLRPSSM-AWEZNQCLSA-N 374.445 0.593 0 50 FCAA Cc1cc([C@@H]2CCCN2C(=O)Cn2nnnc2CN2CCOCC2)on1 95528777 OMAAXBXXYCNCIR-ZDUSSCGKSA-N 361.406 0.165 0 50 FCAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCCn2nnc4ccccc42)[C@@H]3C1=O 102542869 LDJCEWCONMUKNZ-GGXPGOJBSA-N 367.409 0.349 0 50 FCAA O=C(NCc1ccon1)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 215495708 DGHNUINTLCWRPH-UHFFFAOYSA-N 361.383 0.806 0 50 FCAA CN(CC(=O)NCc1c[nH]nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 219089802 NQJDCNFAQZNGLL-OAHLLOKOSA-N 362.455 0.812 0 50 FCAA Cn1c(CO)nnc1C1CCN(Cc2nnc([C@H]3C[C@H](N)C3)n2C)CC1 219706682 CTVNFXIPSZWHKO-BETUJISGSA-N 360.466 0.020 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 219770340 AQTNBQSOLDAJNP-INIZCTEOSA-N 352.398 0.959 0 50 FCAA CCc1nnsc1C(=O)N1CCn2nc([C@H](O)CN(C)C)cc2C1 220400244 YYNGIMGUGGODKY-CYBMUJFWSA-N 350.448 0.548 0 50 FCAA O=C(NCc1csc(-c2ncccn2)n1)c1c[nH]nc1-n1cnnn1 223795281 VEJUOAPWHUCPAS-UHFFFAOYSA-N 354.359 0.229 0 50 FCAA CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccccc2F)(C(N)=O)C1 225656465 AMGCQAFEJFPEEK-UHFFFAOYSA-N 373.406 0.579 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 244831506 UEUBJEJWTWLSGB-UHFFFAOYSA-N 353.444 0.241 0 50 FCAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1sccc1-n1cnnn1 268391066 PVALEDXBDXCAOO-UWVGGRQHSA-N 370.460 0.172 0 50 FCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)CC2CCOCC2)C1=O 275375402 XZWGAGRWCLURHN-CQSZACIVSA-N 370.475 0.744 0 50 FCAA CN(Cc1nnn(C)n1)S(=O)(=O)c1ccc(Br)s1 289345713 GLLRGYFDSOOQQN-UHFFFAOYSA-N 352.239 0.855 0 50 FCAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C)C2)n(C)n1 299791370 DRUJBMLUQHQRBR-FZMZJTMJSA-N 360.418 0.325 0 50 FCAA CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 328589419 AIOYOPGYBHYZEW-YSKGHYERSA-N 352.412 0.931 0 50 FCAA Cc1csc2nc(Cn3cc(S(=O)(=O)N(C)C)cn3)cc(=O)n12 331805114 CONNMQWXVVFYMD-UHFFFAOYSA-N 353.429 0.560 0 50 FCAA CC(C)[C@@H](C(=O)N(C)C1CCN(S(C)(=O)=O)CC1)N1CCCC1=O 408274220 XAEALJWINPSLPP-HNNXBMFYSA-N 359.492 0.516 0 50 FCAA COc1ccc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c(F)c1 886077667 OBJDDLKXGVYCPM-KRWDZBQOSA-N 351.378 0.237 0 50 FCAA O=C(NCc1ccccc1OCC1CC1)c1cn([C@@H]2COC[C@H]2O)nn1 888093799 SYWVMDFALYJEJM-HZPDHXFCSA-N 358.398 0.929 0 50 FCAA Cn1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccn3C3CC3)C2)n(C)c1=O 952849587 XCCCIADDCSQWPW-YWPYICTPSA-N 359.430 0.540 0 50 FCAA O=C(CN1CCCCCC1)N1CCC(N2CCN(CCO)CC2)CC1 952870108 SAQWWNITGOJWNB-UHFFFAOYSA-N 352.523 0.463 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2OC)cc1 1565513265 GXWQVPRDFZZONL-GJZGRUSLSA-N 356.444 0.447 0 50 FCAA Cc1cccc(CCN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)n1 1614987019 GTGHLVKYMFHGPQ-BBRMVZONSA-N 353.444 0.211 0 50 FCAA Cc1cnc(C)c(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@]3(CO)C2)n1 1772803964 BKYOZAAKPPTJPB-APWZRJJASA-N 360.458 0.777 0 50 FCAA Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775958080 BVNZXLOSSYZPCE-HUUCEWRRSA-N 359.430 0.200 0 50 FCAA CCC[C@]1(CO)CCN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H]1O 1857710117 IJZXRIYUHQCGJC-HNAYVOBHSA-N 359.426 0.919 0 50 FCAA OC[C@@H]1CCN(c2ccc3nnc(-c4ccc5c(c4)OCO5)n3n2)C[C@H]1O 1875260446 IMYGVLUOYHQHRP-QWHCGFSZSA-N 369.381 0.700 0 50 FCAA CCn1nc(C)c([C@@H](C)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)n1 1875399838 KBZDKSFLDBAYOY-BPLDGKMQSA-N 374.493 0.753 0 50 FCAA Cc1nc(C(=O)NCc2cn(C)cn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404164 XLYPREZSMFHRRV-OAHLLOKOSA-N 357.462 0.897 0 50 FCAA CO[C@@H]1CN(C)[C@](C)(C(=O)N[C@@H]2CCN(c3ccn4nccc4n3)C2)C1 1875405250 BEVXNDGGONIHOU-GLJUWKHASA-N 358.446 0.533 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CN(C)CC[C@H]2O)cc1 2100534462 JREAFUDJDOBTPJ-HZPDHXFCSA-N 369.487 0.092 0 50 FCAA C[C@@H]1C[C@H](CNC(=O)c2cn(C)nc2-c2cnn(C)c2)CCS1(=O)=O 2325786650 MFJNBCOMHSUAHJ-VXGBXAGGSA-N 365.459 0.764 0 50 FCAA Cn1cnc(C(=O)N2C[C@@H]3ON=C(CNC(=O)c4cccn4C)[C@H]3C2)c1 2325873690 PYSUJDPEDVZHLJ-ABAIWWIYSA-N 356.386 0.015 0 50 FCAA Cc1cc2ncn(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2cc1C 898140 RMBMCANDOGRBLF-UHFFFAOYSA-N 366.381 0.741 0 50 FCAA CN(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 11841956 JIMHOQXMSUEPQG-OAHLLOKOSA-N 360.524 0.497 0 50 FCAA Cc1ccccc1Cn1cc(C(=O)NCCSc2nnnn2C)nn1 12577865 CEINDOUCGRGYMS-UHFFFAOYSA-N 358.431 0.680 0 50 FCAA CN1CCN([C@@H]2CCN(C(=O)Cc3c(F)ccc(F)c3F)C[C@H]2O)CC1 20994022 DHCDZISCMXWAHB-HZPDHXFCSA-N 371.403 0.856 0 50 FCAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCOCC2)C1 23338664 PDOQYVXPWSMKCP-CQSZACIVSA-N 368.455 0.943 0 50 FCAA CCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530307 JNTPLMJRVCAVRZ-UHFFFAOYSA-N 355.464 0.175 0 50 FCAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H](N)CO)CC1 67756412 IDJYMZNCYYITFJ-KRWDZBQOSA-N 369.469 0.652 0 50 FCAA COc1ccccc1CNC(=O)CN1CC2(CCNCC2)C[C@@H]1C(=O)O 72146093 ALUMARRHGLOXJS-OAHLLOKOSA-N 361.442 0.840 0 50 FCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1n[nH]c(C)n1 72147252 MCLUKYUWLNSJAZ-AWEZNQCLSA-N 372.429 0.129 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@H]3C1=O 77460035 WTFHGXQMZJNOKS-XSWJXKHESA-N 360.414 0.105 0 50 FCAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c(OC)n1 91871454 NDQIWXHJECVGEM-ZIAGYGMSSA-N 365.430 0.112 0 50 FCAA CCS(=O)(=O)N[C@H]1CN(Cc2nccn2CCOC)C[C@@H]1C1CC1 91966201 HBIGYDVPSOXJTK-CABCVRRESA-N 356.492 0.679 0 50 FCAA CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 96131233 AGHHNNYXIDHNSO-OAHLLOKOSA-N 366.487 0.792 0 50 FCAA CC(C)n1cnnc1CN1C[C@@H]2CN(c3ncccn3)C[C@]2(C(=O)O)C1 96140102 BYZRVISLJBBSBR-CXAGYDPISA-N 357.418 0.672 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)CN1C(=O)Cn1ccnc1 96154038 QOAFPVWOHAFLNF-CVEARBPZSA-N 369.425 0.419 0 50 FCAA Cc1nc(=O)c(CC(=O)N2CCN(Cc3ncccc3C)CC2)c(C)[nH]1 215299143 WBBKDZCOADKKOT-UHFFFAOYSA-N 355.442 0.977 0 50 FCAA CN1CCCN(CC(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)CC1 219015391 CZVSGKXOJWTRSA-HZPDHXFCSA-N 368.503 0.571 0 50 FCAA CCc1nccn1CCCNC(=O)[C@@H]1Cc2ccccc2S(=O)(=O)N1 219411584 GIDLNTWFQLRPPL-AWEZNQCLSA-N 362.455 0.855 0 50 FCAA COc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)ccc1O 221237565 DTVNPWMDHLUHBV-OCCSQVGLSA-N 352.387 0.393 0 50 FCAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC)c(O)c1 253471289 OQCPDBCXZWKTIR-SNVBAGLBSA-N 363.370 0.530 0 50 FCAA CC(C)Cn1nc(C(=O)N2CCOC[C@H]2C(=O)O)c2ccccc2c1=O 268998909 XRNLZGURJIUHBP-AWEZNQCLSA-N 359.382 0.978 0 50 FCAA Cn1c(CO)nnc1C1CCN(C(=O)CSc2nnc(N)s2)CC1 299791972 DNKDSGQBZAFVOM-UHFFFAOYSA-N 369.476 0.239 0 50 FCAA Cc1cc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc(N2CCOCC2)n1 299799651 UGBMNBCDCZQCJN-GJZGRUSLSA-N 357.418 0.563 0 50 FCAA CN(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 328605091 MHXWZJQNFBDRRJ-HIFRSBDPSA-N 367.446 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351.432 0.881 0 50 FCAA Cn1ccnc(NC[C@H]2CN(Cc3cnn4ccccc34)CCO2)c1=O 328634339 MPNGKNFBXUPWGP-HNNXBMFYSA-N 354.414 0.741 0 50 FCAA COc1ccc(C(=O)N2CCOC[C@H](CN(C)C)C2)c(OCCN)c1 426412691 HDFPWBSCRIGDBG-CQSZACIVSA-N 351.447 0.683 0 50 FCAA CN(C)CCN(C)C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 426443387 NNPLMPVPVTXBOO-MOMVYJMYSA-N 371.529 0.757 0 50 FCAA Cc1ccccc1[C@@H](O)CNC(=O)NCCCN1CCC(C(N)=O)CC1 534584152 GNRBKTXUTZULIP-KRWDZBQOSA-N 362.474 0.915 0 50 FCAA O=S1(=O)CC[C@H](S(=O)(=O)NCCN2CCCc3ccccc32)C1 670452416 WPBKTDKVFZCKOP-AWEZNQCLSA-N 358.485 0.546 0 50 FCAA Cc1nc(C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n(CCO)n1 828776688 JDKTVCKPMQAPDD-AWEZNQCLSA-N 359.430 0.721 0 50 FCAA COc1ccc([C@@H](C(=O)O)N2CCN(CCn3cncn3)CC2)cc1F 1506423348 XVLKSJALKCHXAT-INIZCTEOSA-N 363.393 0.869 0 50 FCAA COc1ccc(F)c(F)c1CN1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529172536 NRNDTAUJRLQJFK-GXFFZTMASA-N 364.414 0.658 0 50 FCAA COCCCN1C(=O)CC[C@@H]2CN(Cc3c[nH]nc3C(=O)O)CC[C@@H]21 1565506286 HGZJGFFWDDKUQY-OCCSQVGLSA-N 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360.458 0.403 0 50 FCAA CNS(=O)(=O)CC(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 366631943 OZUGDBZZQGSUJU-CYBMUJFWSA-N 350.444 0.824 0 50 FCAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCN(c2ncccn2)CC1 426374426 STQZIPJHORSXQT-HNNXBMFYSA-N 355.446 0.489 0 50 FCAA Cc1cc(C)nc(CCNc2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)n1 426707179 KIPNJRLTDFKPLE-CQSZACIVSA-N 370.457 1.223 0 50 FCAA COc1nc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)ncc1F 584892121 FMYNJOYCOMEYJJ-UHFFFAOYSA-N 368.390 0.570 0 50 FCAA CC(C)[C@@H]1CN(C(=O)C[C@@H]2CN(C(=O)C3CC3)CCS2(=O)=O)CCO1 952883748 ZIGDZDXRBPNXBD-CABCVRRESA-N 372.487 0.296 0 50 FCAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCc3c(c(C(N)=O)nn3C)C2)c1 1506397586 WRRPMLWHDAHDTL-INIZCTEOSA-N 374.397 0.720 0 50 FCAA CO[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1Cc1cc(C)no1 1704299314 ITDBKKZYMMCQJK-YPMHNXCESA-N 364.402 0.329 0 50 FCAA COc1cccc(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704299871 MSRXFPNDUBQQCG-ZFWWWQNUSA-N 356.444 0.260 0 50 FCAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1F 1704313613 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CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(-n2cccn2)cc1 2356170054 SIJOUFMBNBCPGB-UHFFFAOYSA-N 364.427 0.497 0 50 FCAA COc1ccc2c(ccn2CC(=O)N2CCN(S(C)(=O)=O)CC2)c1 20720956 ALOXLICWXSTQMB-UHFFFAOYSA-N 351.428 0.754 0 50 FCAA COC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(C)C 25664263 YJIGHRNHFWGNJX-AEGPPILISA-N 366.414 0.976 0 50 FCAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC2(CC1)NCCNC2=O 67559335 HBYXWNALNKCSFD-QGZVFWFLSA-N 356.470 0.732 0 50 FCAA COc1cccc(CN2CCC[C@](O)(CN3CCNCC3)C2=O)c1OC 67847275 AZLZKFTZQZJDPO-IBGZPJMESA-N 363.458 0.463 0 50 FCAA CCN1CCN(Cc2cc(C(=O)NCc3csc(N)n3)no2)CC1 67847671 BOMVTVNOXQWIHG-UHFFFAOYSA-N 350.448 0.781 0 50 FCAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C[C@@H](O)CO)C1 71751475 AYEROHKDWCQXDF-CQSZACIVSA-N 357.414 0.233 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)NCc1cc(N2CCOCC2)ncn1 72407724 TUXCCVJBDYYIFE-UHFFFAOYSA-N 358.446 0.913 0 50 FCAA C[C@H](C(=O)N1CCc2c(ncnc2N2CCOCC2)C1)N1CCCC1=O 77452367 ZPBDZRVFQXUQRZ-CYBMUJFWSA-N 359.430 0.209 0 50 FCAA 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355.398 0.595 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(CO)cc2)n1 1565514221 GNEWIYWGCLFNCI-HOTGVXAUSA-N 360.414 0.619 0 50 FCAA CC(=O)N1CCC(N2CCCN(C(=O)[C@]3(C)CCN(C)C3)CC2)CC1 1775981209 QTXIYRJONPYXCY-LJQANCHMSA-N 350.507 0.873 0 50 FCAA Cc1cc(C)n(CCCNS(=O)(=O)CC[C@@H]2CCS(=O)(=O)C2)n1 1857692682 PCMQYYNWYBCHOA-AWEZNQCLSA-N 363.505 0.634 0 50 FCAA Cc1nnc(N[C@H]2CCCC23CN(C(=O)[C@@H]2CN(C)C(=O)N2)C3)nc1C 1875406850 NKQBBWUVNUQMBC-STQMWFEESA-N 359.434 0.305 0 50 FCAA CC(=O)N[C@@]12CCCC[C@@H]1CN(C(=O)c1cncc3c1CCNC3=O)C2 2325850677 FHWGRSPDDAZQFT-BFUOFWGJSA-N 356.426 0.888 0 50 FCAA Cn1cnc(C(=O)N2C[C@@H]3C[C@@H](O)[C@H]2[C@H]3NC(=O)CCn2cccc2)c1 2325873443 HNQWQNMKRJGHMV-YVVXQTMVSA-N 357.414 0.002 0 50 FCAA CC1=NN(Cc2ccccc2F)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4316619 YAOWQXXVLSCGRQ-UHFFFAOYSA-N 356.361 0.969 0 50 FCAA NCc1cn(CC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)nn1 23191860 AVPYOMRIMWEVSY-UHFFFAOYSA-N 357.414 0.947 0 50 FCAA COc1ccc(NC(=O)CC(=O)N2CCOC[C@H]2CC(=O)O)c(OC)c1 55284732 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CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@](C)(O)C(=O)O 262433911 SUXNUYQLVHOQKL-GUYCJALGSA-N 369.393 0.745 0 50 FCAA Cc1ccc(S(=O)(=O)NCCN2CCN([C@@H](C)C(=O)O)CC2)cc1 262691630 ZQZBDKUNESXRSR-AWEZNQCLSA-N 355.460 0.364 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 287595440 HOJWLAUDLJPYON-OAGGEKHMSA-N 367.471 0.750 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)Cc3c(C)[nH][nH]c3=O)CC2)cc1 299782229 FNFBPYNVYZEFLN-UHFFFAOYSA-N 358.398 0.547 0 50 FCAA CC(C)c1cc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)nc(N)n1 299793406 IRTIDMMJJLGSJP-UHFFFAOYSA-N 367.417 0.811 0 50 FCAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1cn(CCO)nc1C)CC2 299795608 MWPQUWLELLGPFN-OKZBNKHCSA-N 353.463 0.705 0 50 FCAA Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cncn2C)CC1 329578784 KPSWAGMXDDOELW-UHFFFAOYSA-N 367.431 0.562 0 50 FCAA CN1C(=O)C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@H]1c1ccnn1C 366421557 MUDAINPAKAEMCZ-CJNGLKHVSA-N 366.385 0.554 0 50 FCAA O=C1CCc2cc(C(=O)N3CCC[C@H](N4CCNCC4=O)C3)c(F)cc2N1 367649605 VFVKTLWKYMIDMT-ZDUSSCGKSA-N 374.416 0.747 0 50 FCAA Cc1cc(N2CCN(C(=O)NCCc3noc(C4CC4)n3)CC2)nc(N)n1 584901236 KAHBZQLXYOHNRU-UHFFFAOYSA-N 372.433 0.702 0 50 FCAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(Cn2cccn2)o1 1565527538 XPUHAPGWADNLNM-RDJZCZTQSA-N 362.430 0.990 0 50 FCAA CSCC(=O)N[C@]1(C)CCOC2(CCN(Cc3cnc[nH]3)CC2)[C@H]1O 1772707494 VIHHMEMUJOLPNP-JKSUJKDBSA-N 368.503 0.763 0 50 FCAA COC(=O)CCCC(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857719995 ZFHRJTCEIBWTTE-YOEHRIQHSA-N 352.435 0.594 0 50 FCAA Cc1cccc(OCC(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c1C 1857727473 SWBCVVNGGKNYGG-UXLLHSPISA-N 366.483 0.868 0 50 FCAA COCCO[C@H]1COCC[C@H]1NS(=O)(=O)NCc1ccc(F)cc1 1875298314 WURFATJMLJVLTN-CABCVRRESA-N 362.423 0.570 0 50 FCAA Cc1[nH]nc2ncnc(N3CC[C@H](N(C)C(=O)[C@H]4CC45CC(O)C5)C3)c12 1875339832 ZRMXZXRVHYFWIH-WELLJHPMSA-N 356.430 0.859 0 50 FCAA O=C(CN1CCC1)N1CC2(C1)CN(C(=O)c1cc3ccc(O)cc3[nH]1)C2 1875388154 PAMGOUMPUJESED-UHFFFAOYSA-N 354.410 0.864 0 50 FCAA Cc1nccn1CCCC(=O)NCCN1CCN(c2ccncn2)CC1 2325867543 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O=C1C[C@H](C(=O)N2CCC(C(F)F)CC2)CN1CCN1CCOCC1 330128255 NKOCYPMAPNMREC-AWEZNQCLSA-N 359.417 0.671 0 50 FCAA C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@H]1C(=O)O 332648209 SULOWNNWGMAYIB-NOZJJQNGSA-N 366.395 0.786 0 50 FCAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1n[nH]c2c1CCC2 426486188 PFLFHWINBXEGRN-GFCCVEGCSA-N 356.430 1.376 0 50 FCAA O=C(O)C[C@@H]1C(=O)NCCN1C(=O)CCCc1nc(-c2cccnc2)no1 426685441 TUTQLXMLXOJOKJ-GFCCVEGCSA-N 373.369 0.256 0 50 FCAA O=C1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N1 492574862 ZTPSAPOGQYXORL-CYBMUJFWSA-N 365.411 0.006 0 50 FCAA COc1ccc(N2CCN(C(=O)NCCn3cncn3)[C@H](C)C2=O)cc1 534591933 CRBQKCHFPAAHCP-CYBMUJFWSA-N 358.402 0.734 0 50 FCAA CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCc2cccnc2OC)C1 888099979 MTDMJPNGWRGTHA-CYBMUJFWSA-N 370.475 0.604 0 50 FCAA CCCn1cc(S(=O)(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cn1 952984706 MIARAILTHDGGAM-INIZCTEOSA-N 369.535 0.941 0 50 FCAA O=C(c1ccoc1)N1CCOC2(CCN(Cc3cc(O)nc(O)n3)CC2)C1 952987854 GYYYKQDMRONVST-UHFFFAOYSA-N 374.397 0.988 0 50 FCAA COCCN1C[C@@H](C(=O)Nc2nnc(CCN(C)C)s2)CCC1=O 1506407054 NYEPGCDYTWJZEC-NSHDSACASA-N 355.464 0.466 0 50 FCAA CCCc1n[nH]cc1C(=O)N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1565527577 FMHVWFYRWRYNKF-ZFWWWQNUSA-N 361.402 0.664 0 50 FCAA CCNC(=O)[C@@H]1CC[C@](C)(c2nc(CC(N)=O)nn2CCO)C1(C)C 1615695529 JHQSZSQCRUDLIQ-APPDUMDISA-N 351.451 0.128 0 50 FCAA C[C@]1(O)CC2(CCN(C(=O)c3cc4c(nc3O)CCC4)CC2)OC[C@@H]1O 1704299813 SXRQMMXHZVKZGB-YJBOKZPZSA-N 362.426 0.783 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C2 1704339852 NRZYTVONLSZOGH-STQMWFEESA-N 374.484 0.041 0 50 FCAA O=C1COc2ccc(S(=O)(=O)N[C@H]3CCCN4CCC[C@@H]34)cc2N1 1772815273 OFJCDSUKRCTPKE-JSGCOSHPSA-N 351.428 0.923 0 50 FCAA CN1CCC[C@@]2(C(N)=O)CCN(S(=O)(=O)c3ccc(F)cc3F)C[C@H]12 1857687657 YHFSAXOPIFMOPQ-GOEBONIOSA-N 373.425 0.925 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)C1 1875371796 MJYVLRLEVUBDAW-IRXDYDNUSA-N 355.438 0.981 0 50 FCAA CC(=O)N1CCC(C(=O)N2Cc3nnc(-c4cnn(C)c4)n3[C@@H](C)C2)CC1 2356157169 CQSSKNHZSYTWGK-LBPRGKRZSA-N 371.445 0.840 0 50 FCAA CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 759003 ARCLRBHKWMAMCN-UHFFFAOYSA-N 353.444 0.095 0 50 FCAA CSCC[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(N)=O 4760899 WORADQWNXMLKMX-ZDUSSCGKSA-N 353.444 0.978 0 50 FCAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)OC 4763846 HDCFZVUKHWLREV-QEJZJMRPSA-N 366.414 0.978 0 50 FCAA CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@H]1C(=O)O 13520637 HCYWNSXLUZRKJX-JHJVBQTASA-N 352.412 0.693 0 50 FCAA biogenic,world COc1ccccc1C(=O)N[C@H]1C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N2C1 14733690 VZAZSUYFUIHSID-CFVMTHIKSA-N 359.426 0.939 0 50 FCAA O=C(NCCN1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1 23006317 ZGFZTCKTTGCSNA-UHFFFAOYSA-N 367.471 0.679 0 50 FCAA Cc1cnc2c(Cl)c(C(=O)N3CCN4CCN(C)C(=O)[C@@H]4C3)nn2c1 65466322 PSNAXTOUMZEHGE-NSHDSACASA-N 362.821 0.290 0 50 FCAA O=C(NCCc1csc(-c2cnccn2)n1)[C@H]1CC2(CCNCC2)CN1 72164254 VPOOQVZGSLVWKG-CQSZACIVSA-N 372.498 0.991 0 50 FCAA CN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H](NS(=O)(=O)N2CCCC2)C1 72409163 YOLIAAYFVQMRGN-UONOGXRCSA-N 369.491 0.477 0 50 FCAA CCCN1CCN(C(=O)c2ccc(COC)o2)[C@H]2CS(=O)(=O)C[C@H]21 77322661 REEHIIRTLMCWIK-KGLIPLIRSA-N 356.444 0.759 0 50 FCAA CC(C)Cc1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)n(C)n1 91444586 UJYFICAMVINQJU-UHFFFAOYSA-N 363.506 0.709 0 50 FCAA O=C(CC1CCS(=O)(=O)CC1)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1 91768956 LLSUXOJGPYQCBY-OAHLLOKOSA-N 352.456 0.981 0 50 FCAA CN1CCC(Cc2nc(C[C@@H]3C=CS(=O)(=O)C3)n(CCO)n2)CC1 96165332 CXRLCYJAIDFMDI-AWEZNQCLSA-N 354.476 0.256 0 50 FCAA O=C(NCCS(=O)(=O)N1CCCC1)c1ccccc1-c1nnn[nH]1 97637945 GASHWQWPUJLUHX-UHFFFAOYSA-N 350.404 0.022 0 50 FCAA Cc1ccc(C)c(CN2CCN3C(=O)[C@@H](Cc4cnc[nH]4)NC(=O)[C@@H]3C2)c1 215835117 QITXZJUYYMHIOQ-MSOLQXFVSA-N 367.453 0.780 0 50 FCAA COCc1nc(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)no1 219188049 BIDOUEDKYQLPAZ-MRXNPFEDSA-N 359.390 0.244 0 50 FCAA COc1ccc(C(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)o1 220553249 WXQYCKCLQUJHQR-INIZCTEOSA-N 357.370 0.956 0 50 FCAA CC(C)c1cccc(-n2cc(O)c(C(=O)N3CC[C@@](O)(C(N)=O)C3)n2)c1 225699709 NEVKJWIIPRZMDI-SFHVURJKSA-N 358.398 0.764 0 50 FCAA NS(=O)(=O)CCOCCNS(=O)(=O)C1=Cc2ccccc2CC1 242273734 YFMZCJQPHGXVHJ-UHFFFAOYSA-N 360.457 0.198 0 50 FCAA Cn1cc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cn1 263429226 SDGCTABTSUSXMO-UHFFFAOYSA-N 365.415 0.779 0 50 FCAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 299762750 XMIDVJLFZNIVQE-GFCCVEGCSA-N 368.434 0.779 0 50 FCAA O=C1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CCN1C1CC1 328832960 RSRCUSIAOPERCX-UHFFFAOYSA-N 360.439 0.927 0 50 FCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccn(Cc2ccccc2)c1=O 372758153 PWCVYXYCLREFQD-NVXWUHKLSA-N 355.394 0.817 0 50 FCAA CCn1nccc1S(=O)(=O)NC[C@@]1(N2CCOCC2)CCCOC1 375228343 HHJKQGMTTZXFHQ-HNNXBMFYSA-N 358.464 0.063 0 50 FCAA COc1cc(=O)n2c(c1C(=O)NCc1cc(C(C)(C)C)n[nH]1)CCNCC2 426404235 LIKDBUSSPPEQEQ-UHFFFAOYSA-N 373.457 0.953 0 50 FCAA CN(C)C(=O)[C@H]1CN(C(=O)NCc2cccc(-n3cccn3)c2)CCO1 426409287 IRWBYGSHFLHBHU-MRXNPFEDSA-N 357.414 0.871 0 50 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FCAA O=S1(=O)CC[C@H](CCS(=O)(=O)NCCn2cc(Cl)cn2)C1 1857702495 CXAQCMGDGGBOLW-SNVBAGLBSA-N 355.869 0.281 0 50 FCAA Cn1nc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c2ccccc2c1=O 1857709965 AZWLWAVTVOIHSB-ACJLOTCBSA-N 354.366 0.107 0 50 FCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)[C@H]1O 2356159953 XFNLSQUABQUEHK-DLBZAZTESA-N 373.413 0.169 0 50 FCAA COc1ccc(OC)c(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c1 798368 HCMIALRRFIGPJO-AWEZNQCLSA-N 361.398 0.533 0 50 FCAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN(C)C 13612895 CNXJHLLQRXCGBQ-UHFFFAOYSA-N 355.460 0.307 0 50 FCAA CN1CCN(c2cnn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1 20255973 OYAOHEARIYDAPG-UHFFFAOYSA-N 362.455 0.447 0 50 FCAA Cc1cc(C)n(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)n1 60230327 BFQWBSWCHFGHDK-QGZVFWFLSA-N 373.457 0.908 0 50 FCAA CN1C[C@H]2CNC[C@@]2(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 65396180 CZQJEDAABIEEQJ-JDNHERCYSA-N 356.348 0.310 0 50 FCAA COc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1O 72420215 LWFMLNYYMKLCNM-XJKSGUPXSA-N 372.425 0.682 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CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 372742448 PXQIPTSVPWMVFM-JTQLQIEISA-N 355.391 0.474 0 50 FCAA CC(C)N1CCC2(CC[C@@H](CNC(=O)c3cn(C)c(=O)nc3O)O2)CC1 426656874 FQQHHFBPPPBMML-ZDUSSCGKSA-N 364.446 0.638 0 50 FCAA Cn1c(=O)oc2ccc(S(=O)(=O)NCc3nc(C4CC4)no3)cc21 534676130 VHCYPFJCVDBJGA-UHFFFAOYSA-N 350.356 0.870 0 50 FCAA COCCOc1ncccc1C(=O)N[C@@H]1CN(C)C[C@H]1c1cncn1C 952886503 QKWQNWYVWCIARO-HUUCEWRRSA-N 359.430 0.668 0 50 FCAA CCCN1CCC(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1 1529091643 OUJXUHPVWZGKKL-MSOLQXFVSA-N 360.458 0.876 0 50 FCAA C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1875344740 LGGBTIRRFPWJMY-UKTARXLSSA-N 359.430 0.526 0 50 FCAA C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(C(=O)CCc2cnc[nH]2)Cc2nccn2C1 1875408086 NZIISJAHYRJQRO-CFVMTHIKSA-N 356.430 0.722 0 50 FCAA O=C(OC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O)c1ncn2cc(Cl)ccc12 2325760325 OBGCTAQQBPZWBE-JQWIXIFHSA-N 362.773 0.634 0 50 FCAA Cc1nnnn1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC2(F)F)CC1 2325865250 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CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3cc(C)ccc3C)nn2)CN1 71315436 FFDAQYBVGDKCPW-ZBFHGGJFSA-N 371.445 0.866 0 50 FCAA Cc1cc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 72409322 NULVHKXLYYIKAN-NEPJUHHUSA-N 355.416 0.089 0 50 FCAA COc1cccc(N2C[C@H](C)N(C(=O)CCNS(C)(=O)=O)CC2=O)c1 82096639 UZZCHVSMTDKCTC-LBPRGKRZSA-N 369.443 0.198 0 50 FCAA CN(C)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)C[C@@H]1O 91493398 XVILACDJYFFMIH-HOTGVXAUSA-N 367.471 0.264 0 50 FCAA CN(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 95522246 BSSUAQHTRDMHIU-OAHLLOKOSA-N 359.430 0.256 0 50 FCAA CC(C)Cc1noc(CN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n1 95528126 KDZBMUMVIIPUAB-UHFFFAOYSA-N 365.434 0.801 0 50 FCAA Cn1cnc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2c1=O 97217577 PPMSVZRSFIOHOP-UHFFFAOYSA-N 372.406 0.511 0 50 FCAA Cc1ncc(C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c(-c2ccccc2)n1 97604289 LMQYBDPLAVJHTJ-CVEARBPZSA-N 372.450 0.663 0 50 FCAA NC(=O)C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C1CCCCC1 170600711 CGOURPGXQNJZCC-LBPRGKRZSA-N 354.432 0.283 0 50 FCAA CN1CCC(OCCCNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 215410344 CENOYGGNJBCWEW-UHFFFAOYSA-N 355.460 0.565 0 50 FCAA CCC(C)(C)NC(=O)CN1CCn2nc([C@@H](O)c3ccnn3C)cc2C1 223313442 QAQUSPWAOGFUEG-QGZVFWFLSA-N 360.462 0.819 0 50 FCAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCN(c4ncccn4)CC3)n2C)C1 243901187 AZFWRKBLEUGLKG-SHTZXODSSA-N 370.461 0.309 0 50 FCAA O=C(O)[C@@H]1CCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 262719490 UUPNURKADNQJBI-AWEZNQCLSA-N 357.366 0.134 0 50 FCAA CS(=O)(=O)N1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)CC1 268961811 ZKRDGRDCADNAKZ-HNNXBMFYSA-N 366.439 0.696 0 50 FCAA C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 299738418 AOCDYZIKEIVLPI-FGTMMUONSA-N 352.523 0.772 0 50 FCAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H](O)C1 299784965 LMXZFKJRHGXJNN-NVXWUHKLSA-N 370.413 0.928 0 50 FCAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)CC[C@H]2CCCO2)C1=O 328610184 GVSROTWDRFEOPA-KGLIPLIRSA-N 370.475 0.887 0 50 FCAA CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2C[C@H]3CCCN3C[C@H]2C)nn1 332889139 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Cn1ccnc(NC[C@H]2CN(Cc3cccc4nccn34)CCO2)c1=O 328652720 WQURXVGACCTLKG-HNNXBMFYSA-N 354.414 0.741 0 50 FCAA CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccnc(C3CC3)c1)C2 329853048 VDYMYGVRXLOAFY-UHFFFAOYSA-N 370.413 0.061 0 50 FCAA Cc1cc(NC(=O)Cn2nc(C)sc2=O)n([C@H]2CCS(=O)(=O)C2)n1 333276089 DHZCZFQMANGAOM-JTQLQIEISA-N 371.444 0.116 0 50 FCAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 333577574 NIXPPJYGLHPHJT-KBPBESRZSA-N 355.464 0.646 0 50 FCAA CC1(C)C(=O)N(Cc2ccccc2)CCN1S(=O)(=O)N1CCOCC1 333721952 RRAXCBSMVMOVEP-UHFFFAOYSA-N 367.471 0.686 0 50 FCAA CNS(=O)(=O)c1ccc(N2CCN(C)[C@@H](c3nccn3C)C2)nc1 373668118 MDISAWAFGYPTDT-CYBMUJFWSA-N 350.448 0.216 0 50 FCAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O)c(C(F)(F)F)c2)CC(=O)N1 414332193 KZIUJOVSBXTQRY-ZETCQYMHSA-N 366.317 0.913 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)[nH]n2)[C@H](O)C1 426470875 SKEOSCSMPFTUNN-RHSMWYFYSA-N 371.441 0.330 0 50 FCAA CC(C)n1cnnc1CCNC(=O)N1CCC(NS(C)(=O)=O)CC1 426490423 XNPXGAKNCDQPTG-UHFFFAOYSA-N 358.468 0.125 0 50 FCAA CN(C)C[C@H]1COCCN(C(=O)NCc2nc(-c3ncccn3)no2)C1 584895514 SRVMVJCZORGVBY-GFCCVEGCSA-N 361.406 0.246 0 50 FCAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 670439847 GACBUBPOQJXVFH-GFCCVEGCSA-N 355.441 0.646 0 50 FCAA Nc1nc(C(=O)N2CCOC3(CCN(Cc4cnc[nH]4)CC3)C2)cs1 827597798 OTALRSRSHQBIAX-UHFFFAOYSA-N 362.459 0.956 0 50 FCAA CN1CC2(CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)OCC1=O 952980126 CSMXFVQWOSHRIQ-CYBMUJFWSA-N 350.415 0.712 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3cn4ccccc4n3)CC2)CN1 1529090016 DTUNWEHCRHKJNW-OAHLLOKOSA-N 355.442 0.895 0 50 FCAA CCN(C)C(=O)c1ccc(N[C@H]2CCN(C(=O)COC)C[C@@H]2O)nc1 1565511254 IWUGLYWNPCPBJF-KBPBESRZSA-N 350.419 0.194 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1nc2c(s1)CCCC2 1704299725 RHCQULOPPRHPLE-JQWIXIFHSA-N 373.500 0.658 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982172 LKTWDUXXRUHIKJ-FCGDIQPGSA-N 371.481 0.915 0 50 FCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCc1nc3ccc(F)cc3[nH]1)C2 1857734028 ANVUYWQVWIZNEA-YPMHNXCESA-N 360.389 0.950 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCc3c(O)ncnc3C2)CN1CC(F)(F)F 1875293304 LJCXVRYQYLOMGU-SECBINFHSA-N 358.320 0.868 0 50 FCAA O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC12CC(O)C2)c1cnnc(O)c1 1875331233 WBVZOZYLGJDXJH-FHFCMJPMSA-N 372.425 0.595 0 50 FCAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)C(C)(C)O)C2 1875396053 UJWBMECNKAEUKK-CQSZACIVSA-N 359.474 0.705 0 50 FCAA CCN1N=C(C(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)CC1=O 1875402305 FHRFGQCCASUZBD-UFGOTCBOSA-N 353.810 0.400 0 50 FCAA CO[C@@H]1CC[C@H](C(=O)NCCO)C[C@H]1NS(=O)(=O)c1ccccc1C 2100482468 BBLWJUCEADYAKR-RRFJBIMHSA-N 370.471 0.566 0 50 FCAA CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)C[C@@H]1COC[C@H]1O 2325779847 KDJGNVNXGUIWFN-FXUDXRNXSA-N 354.426 0.188 0 50 FCAA CCn1cc(NC(=O)CCn2cc(Br)cn2)c(C(N)=O)n1 2781339 CDJMHQYOVUSAJV-UHFFFAOYSA-N 355.196 0.990 0 50 FCAA O=C(N/N=C/c1ccccc1)[C@@H](O)[C@H](O)C(=O)N/N=C/c1ccccc1 3194261 XYDYEVZOXRMXBD-BTSOFAATSA-N 354.366 0.009 0 50 FCAA CCOC(=O)N1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 9341248 YMVXUANYBGVZME-UHFFFAOYSA-N 359.386 0.482 0 50 FCAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C[C@H](O)CO)C1 71575912 GHYMDMZOXUUYCA-ZDUSSCGKSA-N 357.414 0.233 0 50 FCAA CCc1oncc1C(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 72153413 BXTUWKDDQSCWMG-ZDUSSCGKSA-N 361.402 0.356 0 50 FCAA CN1CCN(C(=O)[C@H]2CNCCN2C(=O)CCCCc2ccccc2)CC1 72154589 RTGIUNLDNSEFOB-LJQANCHMSA-N 372.513 0.974 0 50 FCAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CCC(N)=O)C2 72172636 IRVOYCLPGAGFAE-UHFFFAOYSA-N 354.414 0.755 0 50 FCAA O=C(O)CCc1cc2n(n1)CCN(Cc1cc(=O)n3cccc(O)c3n1)C2 72453911 UMOAUDPRAGGIMK-UHFFFAOYSA-N 369.381 0.630 0 50 FCAA CN(CCO)Cc1nnc(C2CCN(C(=O)c3ccccn3)CC2)n1C 77504756 PWGPMCZAZGEYNH-UHFFFAOYSA-N 358.446 0.654 0 50 FCAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O 82145688 NLKGCSSORVPARE-VIFPVBQESA-N 362.773 0.594 0 50 FCAA Cc1cc(=O)[nH]c(NCCNC(=O)Cn2ncc3ccccc3c2=O)n1 91486569 WELSMIQJELFYHK-UHFFFAOYSA-N 354.370 0.017 0 50 FCAA COc1ccc2c(c1)[C@@H](C(=O)NCCSc1nnnn1C)CC(=O)N2 91691120 UDARLCBRYRCIND-NSHDSACASA-N 362.415 0.553 0 50 FCAA NS(=O)(=O)CCCC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91848707 JIUOVDYLZOFLKP-QWHCGFSZSA-N 358.391 0.521 0 50 FCAA C[C@H]1CN(Cc2ccccc2N2CCOCC2)CCN1S(C)(=O)=O 181927187 TVNYYDQDEGYZTR-HNNXBMFYSA-N 353.488 0.989 0 50 FCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O 239386661 PVZNOMYOMQFDQC-ZHCJQAHYSA-N 353.415 0.307 0 50 FCAA C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@H]1CN 299739153 LEZZQYCARQGKJS-GWCFXTLKSA-N 364.464 0.977 0 50 FCAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nc2ccccn2c1=O 299749798 LPHKJRUKACAQMO-AWEZNQCLSA-N 352.350 0.534 0 50 FCAA Cc1ccc(OCCN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1C 299774404 HMTSGYJBUXLETF-IAGOWNOFSA-N 371.503 0.513 0 50 FCAA COCc1cccc(C(=O)N2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)n1 299802831 WXOZJGKZRRKLAY-WCQYABFASA-N 359.386 0.687 0 50 FCAA O=C1CCc2cc(OCC(=O)N3CCOC[C@H]3c3ncon3)ccc2N1 329464442 UYQLMEVCZQVFDI-AWEZNQCLSA-N 358.354 0.933 0 50 FCAA O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1-n1ccnn1 364634903 RHPUHXDDRYYASN-HNNXBMFYSA-N 355.398 0.777 0 50 FCAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)[C@H]2CCCN(C(C)=O)C2)O1 366985749 BDXWCAORGOLAIM-GAUGTXIDSA-N 352.431 0.955 0 50 FCAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1)c1cnccn1 408521506 WXOVULOUXVBFNZ-CYBMUJFWSA-N 362.411 0.874 0 50 FCAA COc1ccc2c(c1)CCN(C(=O)N[C@@H]1C[C@H]3C(=O)N(C)CC(=O)N3C1)C2 584885486 YIHPAJAZDSTHHX-ZBFHGGJFSA-N 372.425 0.204 0 50 FCAA COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1 802159843 YFEFFRKGUPGBIF-BDAKNGLRSA-N 357.375 0.692 0 50 FCAA Cc1c([C@@H]2[C@@H](C(=O)NCc3cncn3C)CC(=O)N2C2CC2)cnn1C 854499422 ZBLKECRURJABPO-YOEHRIQHSA-N 356.430 0.830 0 50 FCAA O=C(NCCOc1ccc(F)cc1F)c1cn([C@@H]2COC[C@H]2O)nn1 888093818 VNTXPDBQOWZIJD-CHWSQXEVSA-N 354.313 0.297 0 50 FCAA CN(C)C(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1073389325 ULXQADMSSKIDAF-YPMHNXCESA-N 365.459 0.364 0 50 FCAA COC[C@H]1[C@@H](NS(=O)(=O)c2ccc(-c3cc[nH]n3)o2)[C@H]2CCO[C@H]21 1074573162 FMSUPKNSFTYEDP-KTJYFRGRSA-N 353.400 0.998 0 50 FCAA Cc1nc(CS(=O)(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)no1 1475106241 ADYXAKMJIODXBO-LBPRGKRZSA-N 353.404 0.679 0 50 FCAA COC[C@H]1[C@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)[C@H]2CCO[C@H]21 1565526536 PAEHWJNCEMPWRL-LTCOOKNTSA-N 357.410 0.642 0 50 FCAA Cn1cc(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)cn1 1616106666 WXNSFKLMQZOROK-ROUUACIJSA-N 356.474 0.573 0 50 FCAA Cn1ncc2c(N)nc(N3CCCN(C(=O)[C@@]4(C)CCCO4)CC3)nc21 1772810327 KDKLVDLRRIRHOM-QGZVFWFLSA-N 359.434 0.553 0 50 FCAA CS(=O)(=O)CCN1CCC2(CC1)CC(=O)N(C[C@H]1CCOC1)CCO2 1857685445 JRGXBWYRJLEPOB-OAHLLOKOSA-N 374.503 0.151 0 50 FCAA O=C(c1cn(-c2ccccc2)nn1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857716977 UCUASIVXQWDEKF-QAPCUYQASA-N 353.382 0.831 0 50 FCAA CC(=O)c1c(C)nn(CC(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1C 1857722499 WUHMSFOPDVWIBY-KDOFPFPSSA-N 360.414 0.652 0 50 FCAA CNC(=O)Cc1nc(-c2c(C)ncn2C)n(-c2cccc(C(=O)O)c2)n1 1857722685 NRBAWWNCOVIJOK-UHFFFAOYSA-N 354.370 0.963 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)CCc2ccnn2C)[C@H]1c1cnn(C)c1 1857737842 GDDUEMZDLWFSSZ-WMZOPIPTSA-N 360.462 0.617 0 50 FCAA O=C(O)CCCCCCNC(=O)C(=O)N1CC[C@H](NC(=O)C2CCC2)C1 1875266203 PTTDYONWPIEHNK-AWEZNQCLSA-N 367.446 0.655 0 50 FCAA NC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)C1 1875269130 HMRBYFGPTOECAC-RDBSUJKOSA-N 374.445 0.173 0 50 FCAA CN1CCN(c2cc(N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)ncn2)CC1=O 1875398517 UCXBOQALOHKEPL-RRFJBIMHSA-N 371.445 0.203 0 50 FCAA N[C@H]1CCc2cc(C(=O)Nc3cn([C@@H]4CCOC4)nn3)ccc2NC1=O 1875405853 QACIJPRAPHGCDK-OLZOCXBDSA-N 356.386 0.704 0 50 FCAA CC(C)(C)c1nc(C(=O)N2C[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)n[nH]1 1875406491 FRYIDNNEBBCFNQ-TXEJJXNPSA-N 357.418 0.670 0 50 FCAA O=C(CCc1ncc[nH]1)N[C@H]1C[C@H](NC(=O)C2CC(n3ccnc3)C2)C1 1875406590 HVNRPDFRRCXEFV-GZYXLSHKSA-N 356.430 0.954 0 50 FCAA CN1CC(=O)Nc2c(NC[C@@H](O)COc3ccc(F)c(F)c3)ncnc21 2325780467 JEGWTLGUXDWLKL-SECBINFHSA-N 365.340 0.995 0 50 FCAA CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325782986 QZUCWUJPWMTKIU-CQSZACIVSA-N 350.400 0.008 0 50 FCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 3830216 LSQZJLSUYDQPKJ-ZHSDAYTOSA-N 365.411 0.024 0 50 FCAA endogenous,in-man CN1CCN(C(=O)c2cn(CCNC(=O)CCC3CCCC3)nn2)CC1 20912085 JTNQTNJCZFDTST-UHFFFAOYSA-N 362.478 0.752 0 50 FCAA CCc1oc(C(=O)N2CCN3CCNC(=O)[C@@H]3C2)cc1CN1CCCC1 65376559 JQRZFNVQDXGJLW-HNNXBMFYSA-N 360.458 0.694 0 50 FCAA CCOC(=O)N1CCC(N2CCN(c3cncc(C(N)=O)n3)CC2)CC1 67758031 ROAXXXBKSWZLKX-UHFFFAOYSA-N 362.434 0.318 0 50 FCAA CCOC[C@@H](O)CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 71750084 SJYXEAYOSQTXNI-AWEZNQCLSA-N 357.414 0.879 0 50 FCAA COc1cccc(C(=O)N2CCNC[C@H]2C(=O)N2CCN(C)CC2)c1C 72143902 BHTDVUYWLQFOTB-INIZCTEOSA-N 360.458 0.192 0 50 FCAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1CCOc3ccccc3C1)C2 72148382 FNNYXUKAYJEZGR-UHFFFAOYSA-N 355.398 0.131 0 50 FCAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)NCCC(N)=O)nc2c1=O 72426824 WTHBBPJLFRQJBS-UHFFFAOYSA-N 373.800 0.959 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nccn2C)[C@H]3C1=O 77456693 ZRUPZHFOGFZVDT-YBKUAAOGSA-N 374.441 0.197 0 50 FCAA Cn1c(Cn2cccn2)nnc1C1CCN(c2cc(C(N)=O)ccn2)CC1 91486365 YMPBVMHLKYZVCW-UHFFFAOYSA-N 366.429 0.938 0 50 FCAA CCn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cn1 91964907 LENGGQFXCLYGQW-UONOGXRCSA-N 362.459 0.983 0 50 FCAA Cc1ccnn1CC(=O)N1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 91965236 UDLDRSQZYLDXTI-OAHLLOKOSA-N 368.445 0.971 0 50 FCAA CCNc1ncc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cn1 95386887 PDTZFMJZROGSPQ-LSDHHAIUSA-N 370.523 0.761 0 50 FCAA Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)C[C@@H](O)C2)c(=O)n1 95530898 DQUAWRCXQJGAAD-GOSISDBHSA-N 370.453 0.565 0 50 FCAA O=C([C@@H]1CCCCn2nnnc21)N1CCN(C2CCSCC2)CC1 97742713 XEBRPCQJSHAKEA-CQSZACIVSA-N 350.492 0.980 0 50 FCAA CN(C)S(=O)(=O)CCCN1CCCn2nc([C@H](O)C3CC3)cc2C1 230498357 MIYSYSJOGDVQLF-MRXNPFEDSA-N 356.492 0.814 0 50 FCAA O=C1C[C@@H](Cc2ccc(C(=O)N3CC[C@H](N4CCNCC4)C3)cc2)C(=O)N1 262360661 VNMKBDKZISLZPP-SJORKVTESA-N 370.453 0.012 0 50 FCAA C[C@@H]1CCC[C@H](CCN2C(=O)N[C@H](Cc3cn(CC(N)=O)nn3)C2=O)C1 275276955 JWCQGGFIBVXTDC-YRGRVCCFSA-N 362.434 0.443 0 50 FCAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOC[C@@]23CCOC3)c1 282498124 KDQRNACEKJDKGF-KRWDZBQOSA-N 366.439 0.759 0 50 FCAA CC(C)NS(=O)(=O)N1CCN(CC(=O)N[C@H](C)c2cccs2)CC1 284364146 TUBGVFSMMWIRNV-CYBMUJFWSA-N 374.532 0.786 0 50 FCAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCn1nnc2ccccc21 299802565 ZDSUGAPNSQXTRB-AWEZNQCLSA-N 351.432 0.362 0 50 FCAA CCOc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C)no3)C2)cn1 328615410 YEETVFRTWCUAQD-CQSZACIVSA-N 354.388 0.454 0 50 FCAA Cn1ccnc(NC[C@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)c1=O 328655578 YMKXGQJUTDXESH-NSHDSACASA-N 351.794 0.715 0 50 FCAA COc1ccnc(N2CCN(C(=O)[C@@H](NC(=N)O)C(C)(C)C)CC2)n1 330398458 HWAFQKBCVIYLME-GFCCVEGCSA-N 350.423 0.631 0 50 FCAA COCCN1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1 363250213 KMNIMXGCGGTBAX-CVEARBPZSA-N 362.478 0.774 0 50 FCAA CCC(CC)CN1CCc2nnc(CNC(=O)[C@H]3CCC(=O)N3)n2CC1 822603724 DSJABJJHADHVDR-CQSZACIVSA-N 362.478 0.467 0 50 FCAA COC[C@@H]1CCCN1S(=O)(=O)NC1CCN(C(=O)CC(C)C)CC1 824371064 QXSQPGSPUKNEHC-HNNXBMFYSA-N 361.508 0.969 0 50 FCAA Cn1cc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cn1 825658332 HHNWAUATYDQCIK-HNNXBMFYSA-N 351.432 0.167 0 50 FCAA NC(=O)NCC(=O)N1CCC[C@@H](CNC(=O)CCOc2ccccc2)C1 952972157 MUBOROKQKMFGEC-AWEZNQCLSA-N 362.430 0.479 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cs1 1704307339 XGEILYGMMNMMBA-QWRGUYRKSA-N 359.473 0.059 0 50 FCAA COc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc(OC)c1OC 1704313318 IRXNKERMKVKXQV-OLZOCXBDSA-N 364.398 0.642 0 50 FCAA O=C(CN1C(=O)CNC1=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704358409 KPLZSQFHSPQXDW-CJNGLKHVSA-N 368.393 0.460 0 50 FCAA O=C(CCn1cnnn1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857676759 LVKWBYGNQYEGAC-KRWDZBQOSA-N 356.386 0.339 0 50 FCAA Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2 1875250217 GQIWWRRACSRXKH-KGLIPLIRSA-N 353.382 0.434 0 50 FCAA CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)C3(n4ccnn4)CC3)CC1)O2 1875394891 ZVKYXLUDHXRPIZ-ZDUSSCGKSA-N 372.429 0.861 0 50 FCAA Cn1ncc2ncc(C(=O)N3CCN(c4ccnc5nncn45)CC3)cc21 2356152959 JVFGKZYUJIXYTK-UHFFFAOYSA-N 363.385 0.368 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)c1ccccc1OC(F)F 5358076 JVFBPMNQTSHFND-UHFFFAOYSA-N 350.281 0.908 0 50 FCAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H](N2CCOCC2)C1 23338666 PDOQYVXPWSMKCP-AWEZNQCLSA-N 368.455 0.943 0 50 FCAA CCN1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 36081932 QWUFMCKRVLWXMT-UHFFFAOYSA-N 351.428 0.666 0 50 FCAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCN(CCOCCO)CC1 55042529 GDBLPJZKBUDYSS-INIZCTEOSA-N 356.394 0.587 0 50 FCAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CCC(N)=O)C2=O)c1 67473441 LTFGIXMRCWVBLO-SFHVURJKSA-N 367.421 0.495 0 50 FCAA CC(=O)N1CCC[C@H]1C(=O)N1CCc2c(c(C(=O)O)nn2CC2CC2)C1 67725778 CRDJLIOTJOMXBJ-HNNXBMFYSA-N 360.414 0.887 0 50 FCAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CNC(N)=O)C2 71776033 MKVVMTIPWUQQRO-UHFFFAOYSA-N 355.402 0.158 0 50 FCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H]1CNC(=O)C1)C2 72158066 VCIQOWIYVALINR-CYBMUJFWSA-N 366.425 0.625 0 50 FCAA O=C(NC1CC1)[C@@H]1CNCCN1C(=O)c1ccc(CN2CCCC2)cc1 72173688 VATUGOFQFPZGDQ-SFHVURJKSA-N 356.470 0.975 0 50 FCAA NCCCN1C(=O)CC[C@H]2CN(C(=O)CCN3CCCCO3)CC[C@H]21 72474772 LUOOUNXYEDXIDP-JKSUJKDBSA-N 352.479 0.592 0 50 FCAA O=C(CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1)NCc1ccccc1 82091593 JXMCGZSTPZZBJG-HXUWFJFHSA-N 359.470 1.000 0 50 FCAA CCCc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)n(C)n1 91757146 OBSFFMAJGLPDHW-HUUCEWRRSA-N 350.463 0.385 0 50 FCAA O=C(CN1CCc2ccccc21)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91793576 NJBMSKGOBZDDIG-QZTJIDSGSA-N 359.470 0.448 0 50 FCAA Cn1c(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cc(=O)n(C)c1=O 95527121 ADEZDCXNJKUKEU-CQSZACIVSA-N 353.382 0.452 0 50 FCAA CN1CCC[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC[C@@H]21 122387359 YZKTZTLRUYXMRG-NHYWBVRUSA-N 350.444 0.961 0 50 FCAA O=C(NCCF)c1cccc(S(=O)(=O)NCCc2cnccn2)c1 216173134 KMHFDKZONDMLNE-UHFFFAOYSA-N 352.391 0.697 0 50 FCAA COc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)c(OC)c1 222518972 YYBOSFVHPMDTLB-KGLIPLIRSA-N 353.371 0.621 0 50 FCAA Cc1nc[nH]c1CN1CCN(Cc2ccoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 248006245 DQVSVLWFWXDASA-CVEARBPZSA-N 350.444 0.795 0 50 FCAA CNCC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 263237938 KFTZUEPLWRYIDO-UHFFFAOYSA-N 355.445 0.465 0 50 FCAA COc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)cc(Cl)c1OCC(N)=O 269165009 DXNGXOIBIWYNOG-MRVPVSSYSA-N 356.762 0.759 0 50 FCAA CN(C)CCN(CC(=O)O)C(=O)C[C@H]1Sc2ccccc2NC1=O 299746815 BFSBKJVBOBOLBC-CYBMUJFWSA-N 351.428 0.964 0 50 FCAA Cc1ccnc(SCC(=O)N2CCC[C@@H](c3nnc(CO)n3C)C2)n1 299761362 VRLXFUHBYAOMBC-GFCCVEGCSA-N 362.459 0.904 0 50 FCAA COc1ccc([C@H](O)C(=O)N2CCc3nc(N(C)C)nc(O)c3CC2)cc1 299797760 PGCUNRFUIUJIAS-INIZCTEOSA-N 372.425 0.918 0 50 FCAA CC(C)c1cc(C(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)n[nH]1 328635279 NFELSIKAHXILDB-LBPRGKRZSA-N 360.418 0.580 0 50 FCAA CN(C)C(=O)c1cc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)ccn1 331606092 QTEKJYWYNJEMOP-CQSZACIVSA-N 361.446 0.969 0 50 FCAA O=C(NCCNC(=O)c1cccnc1)NCc1ccnc(-n2ccnc2)c1 363207412 DBHDJSUDCJNQCF-UHFFFAOYSA-N 365.397 0.892 0 50 FCAA COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2nc(C)ccc2O)C1 365173942 APSUZADMTAOITC-CQSZACIVSA-N 357.476 0.968 0 50 FCAA CN1CCN(c2ccc(CNC(=O)N3CC[C@@](O)(C4CC4)C3)cn2)CC1 365889666 UGAPTRVHNCEXCY-IBGZPJMESA-N 359.474 0.890 0 50 FCAA COCCN(Cc1nccs1)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1 426358825 AZYIJAKTGPGYHN-LLVKDONJSA-N 351.432 0.276 0 50 FCAA CN(Cc1nc(C2CC2)no1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 426376587 WNOPSLJGOKZZCF-UHFFFAOYSA-N 365.415 0.936 0 50 FCAA Cc1cc(N)n(CC(=O)N2CCC[C@@H](CNC(=O)c3cncc(F)c3)C2)n1 826630333 ZPNFFPHPHYWZIN-ZDUSSCGKSA-N 374.420 0.976 0 50 FCAA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N3CCC3)nc2)C1 952848760 LALQUMIAYDQCDI-RRFJBIMHSA-N 356.430 0.705 0 50 FCAA Cc1noc([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C)C2)n1 1321255766 JIETVOOFLOIYPG-MWLCHTKSSA-N 369.451 0.501 0 50 FCAA Cc1ccc(OCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1C 1704312324 IQPKTGOYPQDLOI-GOEBONIOSA-N 370.471 0.705 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1cccc(Cl)c1 1704343040 IIBISOGXNKAIFM-JSGCOSHPSA-N 360.863 0.905 0 50 FCAA O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669048 WABYJJRKUBJABO-BLLLJJGKSA-N 355.412 0.477 0 50 FCAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc(-n2cnnn2)n[nH]1 1857676118 CSUWGPSEVPILGS-AWEZNQCLSA-N 352.402 0.514 0 50 FCAA COCc1nnc(N2C[C@H](C(=O)NCCN3CCCCC3)CC2=O)s1 1857697811 NGHCWVUBGQBOIB-GFCCVEGCSA-N 367.475 0.640 0 50 FCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875249834 DRLZAWDSSIZIFN-JSGCOSHPSA-N 354.428 0.644 0 50 FCAA C[C@H]1CC(=O)NC[C@@H]1C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O 1875301778 UHWVIHATKWIHOE-WFASDCNBSA-N 357.410 0.903 0 50 FCAA CCCN1C(=O)CC[C@H](C(=O)NC/C=C/C(=O)OC)[C@H]1c1cncn1C 1875319189 RXYBWDHUPGLTIY-WGIDWCPNSA-N 362.430 0.955 0 50 FCAA COc1cc(NC[C@]2(CO)COC[C@@H](C)N2C)nc(C2CCOCC2)n1 1875398350 MGJNBUUVKZGILZ-ACJLOTCBSA-N 366.462 0.873 0 50 FCAA O[C@@H](Cn1cccn1)Cn1cnc2c(N3CC[C@@]4(CCO4)C3)ncnc21 2325815469 LIWTYVWEQCMTJV-CXAGYDPISA-N 355.402 0.453 0 50 FCAA C[C@H](CNCc1ccc(OCC(=O)N2CCOCC2)cc1)n1cncn1 55195700 BWNMLQKJWQFQIV-OAHLLOKOSA-N 359.430 0.867 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)NCc2csc(-c3cnccn3)n2)C1 55327593 SACDRKKUTGLZKQ-NSHDSACASA-N 360.443 0.414 0 50 FCAA Cc1c(CN2CCO[C@@]3(CNCCOC3)C2)c2ccccc2n1CC(N)=O 72150405 IJDSTEANRSVHQA-FQEVSTJZSA-N 372.469 0.626 0 50 FCAA Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)c1 72168051 MVBOIHMCLGDLNC-SFHVURJKSA-N 358.446 0.890 0 50 FCAA CN1CCN(c2ncccc2-n2ccnc2-c2cc3n(n2)CCNC3)CC1 72435459 OKBKOPLJXISIPZ-UHFFFAOYSA-N 364.457 0.986 0 50 FCAA CCc1cc(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)n2nc(C)c(C)c2n1 72438480 RAUNTTVCOSSNBI-IRXDYDNUSA-N 358.490 0.705 0 50 FCAA Cn1cc(CCC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cn1 77387024 SPOFIUJECQPDEC-UHFFFAOYSA-N 356.430 0.564 0 50 FCAA Cc1ccc2nc(CN3CC[C@@]4(CCCN(CCO)C4=O)C3)cc(=O)n2c1 91468273 ZRKNWOSPPJRTFX-FQEVSTJZSA-N 370.453 0.810 0 50 FCAA COc1cccc(CN2CCN(c3cc(N)nc(N)n3)C[C@H]2CCO)c1 106950612 CBDSFCFQBXAMNA-CQSZACIVSA-N 358.446 0.723 0 50 FCAA O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H](OCCO)C1 178658370 OBFNGJWWNYJXSH-GFCCVEGCSA-N 359.220 0.611 0 50 FCAA CCc1cc(N2CCC(NC(=O)c3[nH]nc4c3CNCC4)CC2)ncn1 188788493 MHFRTRRUGBACNZ-UHFFFAOYSA-N 355.446 0.807 0 50 FCAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 212437143 SVMLCXJWLHKERF-MNOVXSKESA-N 359.477 0.189 0 50 FCAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 216481043 ZMMVJYVTTKWENQ-UHFFFAOYSA-N 362.411 0.428 0 50 FCAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCn1nnnc1C 219462107 DCMDLXLSPXEJFK-CABCVRRESA-N 364.406 0.467 0 50 FCAA CN1C[C@@]2(CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)OC1=O 221202384 YBEVJSHUBVELRX-QGZVFWFLSA-N 372.385 0.484 0 50 FCAA COCC(=O)N1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1 244811616 SHUPUWDUSHZRJB-UHFFFAOYSA-N 368.455 0.558 0 50 FCAA O=C1CN(C(=O)CN(Cc2nccs2)[C@@H]2CC23CCNCC3)CCN1 262069807 CBBCIBLKMHMEJW-CYBMUJFWSA-N 363.487 0.046 0 50 FCAA COc1ccc(CCN2C[C@H](C(=O)N[C@H]3CCNC3)CC2=O)cc1OC 262771825 VALBYYDDNLTUKX-CABCVRRESA-N 361.442 0.573 0 50 FCAA CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)O)C1 299753736 ZEAFXPFYMPMBNK-UONOGXRCSA-N 355.412 0.344 0 50 FCAA CN(C[C@@H]1CN(C(=O)Cc2cccs2)CCO1)c1nccn(C)c1=O 328623298 BWHSUGDYZVENDP-CYBMUJFWSA-N 362.455 0.748 0 50 FCAA C[C@H]1CN(C(=O)CSc2nnc(O)n2C[C@H]2CCCO2)C[C@@H](C)O1 328848323 RATPMWSJLAZDKK-GRYCIOLGSA-N 356.448 0.891 0 50 FCAA Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 330671836 CSNGMNSAPVCDMM-JTQLQIEISA-N 357.432 0.564 0 50 FCAA O=C(NCc1nncn1C1CCCCC1)N1CCN(CCCO)CC1 426369156 IGZRQQOEXSQVCU-UHFFFAOYSA-N 350.467 0.993 0 50 FCAA Cc1ccc(-c2nnn(C)n2)cc1NC(=O)NC[C@H]1COCCN(C)C1 426575042 OUCXFDWXCPAFKI-CYBMUJFWSA-N 359.434 0.885 0 50 FCAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NC1CCN(CC(N)=O)CC1 584899119 ATDFZBKRGRHQCD-UHFFFAOYSA-N 362.409 0.793 0 50 FCAA Cn1cc(O[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)n3)C[C@H]2O)cn1 862352337 CSSJDWOPIWVWGP-HZPDHXFCSA-N 354.370 0.265 0 50 FCAA CO[C@@H]1C[C@H](CNC(=O)CCc2cnn(C)c2C)N(c2ccncn2)C1 952887345 ONRHQJWGUWXVMV-HZPDHXFCSA-N 358.446 0.861 0 50 FCAA CCc1c(C(=O)NC[C@H]2C[C@@H](OC)CN2c2ccncn2)nnn1CC 952887886 VWIVOGQQTNUMLT-CHWSQXEVSA-N 359.434 0.674 0 50 FCAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CCN1CCCC1=O 1294011549 SAGOROLNTZQXIE-CYBMUJFWSA-N 368.459 0.811 0 50 FCAA CN(CCC(=O)N1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1506407807 LIHHOMMAMAOZTG-LBPRGKRZSA-N 371.425 0.202 0 50 FCAA Cc1cc2c(cc1C(=O)N[C@H]1CCOC[C@@H]1OCC(N)=O)OCCO2 1565505815 YSNQNUICBZKNMZ-WFASDCNBSA-N 350.371 0.155 0 50 FCAA Cc1cc(N)n(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)n1 1565511148 AQJDTAUGTKLWPO-CABCVRRESA-N 368.441 0.932 0 50 FCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]2O)no1 1565526283 MCPFSUGYZBLCAD-HOCLYGCPSA-N 358.398 0.702 0 50 FCAA COc1ccc(C(=O)N[C@H]2CCN(c3cnccn3)C[C@@H]2O)c(OC)n1 1565527822 XQMMYNJYRYTMJZ-STQMWFEESA-N 359.386 0.258 0 50 FCAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC(F)(F)F)cn1 1775996796 IZLQOURGLAVQES-UHFFFAOYSA-N 351.306 0.966 0 50 FCAA 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370.348 0.102 0 50 FCAA CCOC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 12761610 FNAWCDBIYDEBIN-HNNXBMFYSA-N 365.405 0.586 0 50 FCAA CN(C)c1cnn(CC(=O)NCc2nncn2C2CCCCC2)c(=O)c1 19742067 KVGFDWLGPCKJPO-UHFFFAOYSA-N 359.434 0.722 0 50 FCAA COc1cc2ncn(CCC(=O)N3CCC[C@H]3C(N)=O)c(=O)c2cc1OC 67630437 LPLNOHYAJBJJLS-ZDUSSCGKSA-N 374.397 0.280 0 50 FCAA CCc1oncc1C(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 72153412 BXTUWKDDQSCWMG-CYBMUJFWSA-N 361.402 0.356 0 50 FCAA Cc1ccnn1CC(=O)N1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72407616 DGGWBHJACLCABR-HNNXBMFYSA-N 374.441 0.896 0 50 FCAA CN(CCC(C)(C)O)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72478686 YLOYFXRQRLBYMH-LBPRGKRZSA-N 356.492 0.944 0 50 FCAA O=C1CC2(CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)CN1Cc1ccccc1 72480138 KTHYAVVLARDYOT-DLBZAZTESA-N 357.454 0.751 0 50 FCAA COCCCN1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72480305 BJSHGDUMPPRFBB-HNNXBMFYSA-N 351.495 0.988 0 50 FCAA CNc1nc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77358132 XJFGUNRZWWZNCX-OLZOCXBDSA-N 370.500 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358.385 0.578 0 50 FCAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCC(N2CCOC2=O)CC1 95510617 HMOUBGSHUNAOQI-QGZVFWFLSA-N 374.441 0.898 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1CC(=O)N1CCOc2ccccc21 96153085 QESXDPWDZQNFET-HOCLYGCPSA-N 374.441 0.127 0 50 FCAA CNC(=O)c1cc2c(s1)CCN(C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C)C2 97553180 DFLOMWDJGIWGQJ-SNVBAGLBSA-N 364.427 0.275 0 50 FCAA CCOCCN1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC1 97694848 IDCNDKJBSOEAAB-KRWDZBQOSA-N 360.458 0.611 0 50 FCAA O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCNCC2)c1 215254509 LABBBNDKAXXFIL-UHFFFAOYSA-N 365.377 0.963 0 50 FCAA CCc1nc(SCC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)n[nH]1 221252377 FFIQCDZWOSLVAU-UHFFFAOYSA-N 366.447 0.344 0 50 FCAA Cc1[nH]c(-c2ncccn2)nc(=O)c1CC(=O)N1CCC[C@H](C)[C@@H]1CN 237624283 HSOKRWANZWRFHJ-FZMZJTMJSA-N 356.430 0.664 0 50 FCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@H](CO)[C@@H](O)[C@H]1O 239386658 PVZNOMYOMQFDQC-BPKGMFCQSA-N 353.415 0.307 0 50 FCAA CCn1c(CN2CCN(c3cc(C)nc(N)n3)CC2)nnc1[C@H]1C[C@H](N)C1 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1529103509 CPZGHZOKOZRAFH-UHFFFAOYSA-N 359.430 0.420 0 50 FCAA Cc1nc(C(=O)NCc2nncn2C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875301754 SLUVPUUMOWHNDL-CYBMUJFWSA-N 358.450 0.292 0 50 FCAA CC(=O)N[C@]12CCOC[C@H]1CN(C(=O)c1cccc3c1oc(=O)n3C)C2 2325849379 NKOIMCIFLCSVEG-XIKOKIGWSA-N 359.382 0.499 0 50 FCAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnc3cccnn23)C1=O 2356137958 CCKSXKKQBAJLGN-GOSISDBHSA-N 357.414 0.973 0 50 FCAA Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)NCCc3ccccn3)C[C@@H]2O)nn1C 2356165635 MCTGLQGWSZZKMB-QRTARXTBSA-N 371.441 0.352 0 50 FCAA COc1ccc(NC(=S)N2CCN(S(C)(=O)=O)CC2)cc1OC 2855514 ULCAYQQTIHXFEP-UHFFFAOYSA-N 359.473 0.978 0 50 FCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 4473982 OWLWVHQPNQOEEB-NXEZZACHSA-N 366.171 0.829 0 50 FCAA COC(=O)c1cc2n(n1)CCN(C(=O)c1cc(CC(C)C)[nH]c(=O)n1)C2 67983526 ADGWCWPFBPZKGH-UHFFFAOYSA-N 359.386 0.608 0 50 FCAA CN1CC2(CCN(Cc3cc(=O)n4cccc(O)c4n3)CC2)C[C@H]1C(=O)O 72172508 IOKZNRWBMZPKJY-AWEZNQCLSA-N 372.425 0.771 0 50 FCAA Cc1ccc(CN2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2=O)cc1C 72477563 BXWCVYRBFJVSND-HNNXBMFYSA-N 372.425 0.462 0 50 FCAA Cc1ccc(CN2CCN(C(=O)COC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)o1 77386301 FUQSONTZGONUCV-CVEARBPZSA-N 370.471 0.823 0 50 FCAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)CN2CCCC2=O)CC1 77452328 HQOYYZPUDZUDRG-UHFFFAOYSA-N 362.478 0.688 0 50 FCAA CCCCN1CCN([C@H](C(=O)N(C)CCO)c2ccccc2)C(=O)C1=O 77485650 OGGKMQGMQWRIOH-INIZCTEOSA-N 361.442 0.649 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3c1CCCC3)C2 91562928 BYYMZAPVDKZDFE-NWDGAFQWSA-N 352.460 0.785 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)oc2C)CN1c1ccnc(N)n1 96132983 KKVYHRZNQDKHSN-YPMHNXCESA-N 358.402 0.392 0 50 FCAA C[C@]1(O)CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C[C@@H]1O 96141552 KJKXSELVZBDNNL-GWCFXTLKSA-N 368.739 0.865 0 50 FCAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1c(C)nn(C)c1Cl)C2 189217328 VSTQVENEZBGOFD-UHFFFAOYSA-N 371.850 0.706 0 50 FCAA Cc1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cs1 216376588 FNABHYSSNBWQLR-NEPJUHHUSA-N 358.489 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374.409 0.719 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1O 1615965369 WOSQRZPFSHNXMF-ZBFHGGJFSA-N 372.462 0.859 0 50 FCAA N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857731738 NVSZPUJIHIOGHH-XLAORIBOSA-N 355.442 0.610 0 50 FCAA Cc1nc(C)n(C2CN(c3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)C2)n1 1875398282 KCDYIAHPBMCNRP-GDBMZVCRSA-N 372.477 0.247 0 50 FCAA COc1ccc([C@H](C)NC2=CC(=O)N([C@@H]3CCC(=O)NC3=O)C2=O)cc1 2325854086 NUBAOCOCGHSYLZ-IINYFYTJSA-N 357.366 0.404 0 50 FCAA NC(=O)CSc1nnnn1-c1ccc(I)cc1 1131375 SOAQUSHNXABKNP-UHFFFAOYSA-N 361.168 0.844 0 50 FCAA CC1(C)S[C@H]([C@@H](NC(=O)COc2ccccc2)C(=O)O)N[C@@H]1C(=O)O 16983157 FJTUHYOOCYRLJI-JHJVBQTASA-N 368.411 0.529 0 50 FCAA biogenic,in-vitro COC(=O)CN1CCN(C(=O)[C@@H]2COc3ccc(OC)cc3C2)CC1=O 20254820 NOQFTBISVBSYLZ-ZDUSSCGKSA-N 362.382 0.090 0 50 FCAA COc1ccc(CCNC(=O)Cn2nc(N3CCOCC3)ccc2=O)cc1 49547804 BTWHQHDQYAOLBJ-UHFFFAOYSA-N 372.425 0.447 0 50 FCAA Cc1nnc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)s1 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CS(=O)(=O)N[C@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C[C@@H]1C1CC1 91907037 ZOEDNAIORHOQTO-PWSUYJOCSA-N 359.835 0.428 0 50 FCAA COCC(=O)N1CCC[C@@H](C(=O)N2CCN(CCn3cccc3)CC2)C1 95386332 XPOMHVFBSCWKFO-QGZVFWFLSA-N 362.474 0.517 0 50 FCAA CC(C)Oc1cc(N2CCC[C@@H](c3nccn3CC(N)=O)C2)nc(N)n1 95502769 HAIZEOOKSQAPFQ-GFCCVEGCSA-N 359.434 0.912 0 50 FCAA Cn1c(C(=O)N[C@H](CCn2cncn2)c2ccccc2)cc(=O)n(C)c1=O 95521902 DTDTXGHKEMASMO-CQSZACIVSA-N 368.397 0.237 0 50 FCAA CN(C)CCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 170625193 AJEJSXPEOANCAU-INIZCTEOSA-N 371.441 0.699 0 50 FCAA biogenic O=C(N[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1O)c1cnccn1 219795297 MANRKFLFVIGUBQ-JSGCOSHPSA-N 370.365 0.211 0 50 FCAA O=C([C@H]1CNCCO1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 238009634 UDRRHIUHDIVBKS-ZWKOTPCHSA-N 373.501 0.431 0 50 FCAA Cc1ccc(-c2c(-c3c(O)n(C)c(=O)n(C)c3=O)n(C)c(=O)n2C)cc1C 238936972 SQLGNXCGQWUWSI-UHFFFAOYSA-N 370.409 0.778 0 50 FCAA CCc1c(C)cc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)c(=O)n1C 243901309 BBCUMBJBICKVMB-TXEJJXNPSA-N 359.430 0.553 0 50 FCAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(OCC(N)=O)c1)C2 247822479 DQEKHCGVEQUZGQ-HOCLYGCPSA-N 361.442 0.734 0 50 FCAA CN(CC(C)(C)C)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248135983 RRXHZTVMDOIDCN-OLZOCXBDSA-N 353.492 0.534 0 50 FCAA CS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 277476747 NCZYTSBHPQXMKZ-MRXNPFEDSA-N 354.472 0.828 0 50 FCAA Cc1cccc2c1OC[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C2 291349998 WFARZGPFADAAFP-ZFWWWQNUSA-N 367.471 0.974 0 50 FCAA COc1cccc(C(=O)N2CCN(C(C)=O)C[C@@H](O)C2)c1OCCCN 299765574 IHCLFVJCQZGJLL-CQSZACIVSA-N 365.430 0.088 0 50 FCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-c2nnn[nH]2)c1 299769034 IGNSXQQBXFMCQK-CQSZACIVSA-N 357.418 0.082 0 50 FCAA O=C([C@@H]1CCS(=O)(=O)C1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 329807348 OORLIVNDLIBRJD-TZMCWYRMSA-N 363.501 0.770 0 50 FCAA CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@]3(CCCOC3)C2)CC1 375174844 PKLHSDJENPUVFA-GOSISDBHSA-N 352.479 0.751 0 50 FCAA CS(=O)(=O)CCNC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 426656920 IQBYGJOSHZCFQH-KRWDZBQOSA-N 365.499 0.916 0 50 FCAA COCc1ccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)s1 426740489 MGCYVMYPPLEEKU-CHWSQXEVSA-N 355.460 0.148 0 50 FCAA COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cc(OC)c1OC 659775874 GCOBIKPITNJWRJ-PIGZYNQJSA-N 351.355 0.886 0 50 FCAA CCc1nc(CN2CCOC3(CCN(Cc4nccn4C)CC3)C2)n[nH]1 952868833 HUJMRGLGDHGTHD-UHFFFAOYSA-N 359.478 0.968 0 50 FCAA Cc1cccc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)n1 1073410978 OUNPURAMAWIQDH-CABCVRRESA-N 352.460 0.355 0 50 FCAA O=C(CN1CCOc2ccccc2C1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529158708 JYEUVJKQWYLTRG-SJLPKXTDSA-N 368.437 0.733 0 50 FCAA O=C(CN1C[C@H]2COCC[C@@]2(C(=O)O)C1)NCCc1ccc(F)cc1 1601318010 VWUCOWHAZMBTES-KBXCAEBGSA-N 350.390 0.908 0 50 FCAA COc1ccccc1CCNC(=O)CN1C[C@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704302384 IRLWDRQBVUSFDA-AEFFLSMTSA-N 372.469 0.921 0 50 FCAA CC(=O)NCC(=O)N1C[C@@H]2CN(Cc3cccc(C)n3)C[C@@]2(CN(C)C)C1 1772812004 FAGDGCWMKKHOHK-PXNSSMCTSA-N 373.501 0.348 0 50 FCAA C[C@H](C(=O)N1CCCN(C2CCN(C)CC2)CC1)N1CCN(C)CC1 1775979329 KYHSNEZCNBMDTF-QGZVFWFLSA-N 351.539 0.251 0 50 FCAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cc(-c3ccccc3)nn2C)C[C@H]1O 1875402631 JIUIOFGJKJUPBN-RHSMWYFYSA-N 371.441 0.726 0 50 FCAA Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)c1 14740463 RHGZSDBURZEGMZ-QWHCGFSZSA-N 351.428 0.023 0 50 FCAA CN1CCN(c2ncccc2CNC(=O)c2cnc3c(c2)nnn3C)CC1 67541423 UZTIABHIDCTJMG-UHFFFAOYSA-N 366.429 0.440 0 50 FCAA CCn1c([C@@H]2CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)n[nH]c1=O 67774632 YVCKZDOJKSLAME-GFCCVEGCSA-N 370.417 0.666 0 50 FCAA O=C(c1ccc(NC[C@H](O)CO)nc1)N1CCC(CCn2cccn2)CC1 67872589 WPQGFCSUBCSSHQ-KRWDZBQOSA-N 373.457 0.986 0 50 FCAA CC(C)=CCN1CCN(C(=O)c2[nH]cnc2C)[C@H]2CS(=O)(=O)C[C@H]21 72435198 ZPGMCMZJKFSLNO-KGLIPLIRSA-N 352.460 0.608 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77385332 NWDCKWIANKMEDP-IBGZPJMESA-N 364.490 0.655 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCc4n[nH]cc4C2)[C@H]3C1=O 77437349 VDVMAYFNPLNMIQ-RCJHGTSTSA-N 372.425 0.113 0 50 FCAA CCN1CCN(C(=O)CSc2ccncc2)[C@H]2CS(=O)(=O)C[C@H]21 77471763 PEJOEVVVZIKVPJ-KGLIPLIRSA-N 355.485 0.503 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)cc1 82108258 QCECFHNJLZXNNE-UHFFFAOYSA-N 370.409 0.545 0 50 FCAA C[C@@H]1CNC(=O)CCN1C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O 91254517 CLAADNGMOYPIRS-LLVKDONJSA-N 374.372 0.839 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 92061825 HYKWXCJXFHGHCE-IBGZPJMESA-N 374.441 0.178 0 50 FCAA COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)o1 95370028 JYSJSJYGCVMVKZ-QWHCGFSZSA-N 371.459 0.769 0 50 FCAA COc1ccc([C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2NC(C)=O)cc1 95526148 IAYHUQPRLJTQBW-ZWKOTPCHSA-N 369.421 0.988 0 50 FCAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCNS(C)(=O)=O 97288789 VVRMTLGFFWBRNL-UHFFFAOYSA-N 370.431 0.258 0 50 FCAA O=C(NCCS(=O)(=O)N1CCCC1)c1cc(=O)[nH]c2cc(F)ccc12 97495077 WKTQJIUQSUMRRH-UHFFFAOYSA-N 367.402 0.823 0 50 FCAA CN1CCN(S(=O)(=O)c2ccccc2F)C[C@@]12CCNC(=O)CC2 107664377 VNEQFCQMQIWWGV-MRXNPFEDSA-N 355.435 0.801 0 50 FCAA COc1ccnc(N2CCN(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)CC2)n1 124555597 HGKVUGNGUDCJAE-GFCCVEGCSA-N 359.434 0.980 0 50 FCAA COC(=O)C[C@]1(C(=O)OC)N[C@@H](CC(C)(C)C)[C@H]2C(=O)N(C)C(=O)[C@H]21 209971822 IFUSAPPWYOQOHH-STCNSTQBSA-N 354.403 0.100 0 50 FCAA COC(=O)[C@@]1(CO)N[C@@H](c2ccc(CC(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210201895 IUGMKVOQAZDNAW-ULMVMLMRSA-N 374.437 0.665 0 50 FCAA Cc1cc(=O)cc(C(=O)N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)o1 213027285 ZXODONGVYJZWBP-GJZGRUSLSA-N 357.366 0.349 0 50 FCAA CCN1C[C@]2(C(=O)O)CN(c3ccc(-c4nc(C)no4)cn3)C[C@@H]2C1=O 216944793 JSKPBOURBLTULH-PXAZEXFGSA-N 357.370 0.809 0 50 FCAA Cc1cc(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C2CC2)c(=O)[nH]c1C 219553960 XVSVFQJYXDLJDL-KGLIPLIRSA-N 353.444 0.392 0 50 FCAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(CO)o1)C2 222358796 MYVNGVSXDROQHE-HNNXBMFYSA-N 357.370 0.440 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)N3CC[C@H](O)[C@@H](O)C3)CCC2)cc1 222540394 TZLOUQYHQMALNQ-GJZGRUSLSA-N 353.440 0.466 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(N(C)C)cc1 222812763 RIWQWJKUHNBASH-IAGOWNOFSA-N 363.458 0.674 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)NCCc2csc(-c3cccnc3)n2)c1=O 223633471 CFVISHFBXVPDJI-UHFFFAOYSA-N 371.422 0.494 0 50 FCAA NC(=O)NC(=O)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 225747550 DVGHNGLKXOBWHA-HXFLIBJXSA-N 353.356 0.373 0 50 FCAA CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)cs1 236927405 FICISGMATGSHFN-YUELXQCFSA-N 368.503 0.608 0 50 FCAA Cc1ccc(NC(=O)[C@H]2CNC[C@@H](C(=O)N3CCN(CCO)CC3)C2)cc1 248012419 ZMMHCNCUURAGQO-SJORKVTESA-N 374.485 0.296 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CCO1 263061427 YEXNGVILPNBDPP-LBPRGKRZSA-N 353.762 0.795 0 50 FCAA CN1CC(=O)N(CCCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)C1=O 299742998 LJJPGYTXXYTUSU-UPJWGTAASA-N 351.403 0.905 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccccc2-c2ncc[nH]2)[C@H](O)C1 299755361 AQZAFELQOCWIRH-HZPDHXFCSA-N 371.441 0.330 0 50 FCAA CCCNS(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CCCNC2)cc1 299768645 YMJVQDLASPXEAD-MRXNPFEDSA-N 370.475 0.611 0 50 FCAA CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(CC)no3)C2)cn1 328608440 AJTRXUHGVNXVTH-HNNXBMFYSA-N 368.415 0.708 0 50 FCAA CN1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CCN2C1=O 373299169 MIRCNRZUWYXHRW-JKSUJKDBSA-N 356.426 0.613 0 50 FCAA COCCN1CC[C@H](CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)C1 670452773 LHJDYBXEDBIDHM-GFCCVEGCSA-N 369.443 0.676 0 50 FCAA NC(=O)c1csc(S(=O)(=O)NCc2nc(-c3ccccn3)no2)c1 670467449 QHYHJGMDLGWOOD-UHFFFAOYSA-N 365.396 0.771 0 50 FCAA O=C1OCC2(CCN(C(=O)NCc3nc(-c4cnccn4)n[nH]3)CC2)O1 827920493 AUVIZVJHYKYEKB-UHFFFAOYSA-N 359.346 0.473 0 50 FCAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CCO1 886047301 HRHBBTPBKBMPIL-XHSDSOJGSA-N 361.398 0.346 0 50 FCAA CNc1nc(C(=O)N2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)cs1 1565509933 CXUJQQNYOHQDCI-BDAKNGLRSA-N 350.404 0.644 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc2nccnc12 1704303078 IPQWCIJTIHHFEO-FZMZJTMJSA-N 364.427 0.266 0 50 FCAA O=C(O)CN1CC[C@@]2(C1)CN(C(=O)c1ccccc1-c1nc[nH]n1)CCO2 1857685697 PSTDYMVLCPSKTG-GOSISDBHSA-N 371.397 0.473 0 50 FCAA O=C(Cn1nnc(-c2ccccc2)n1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1857714974 VGQUGECCEOJGOG-NVXWUHKLSA-N 364.409 0.797 0 50 FCAA COc1cccc(OC[C@H](O)CN2CCn3nc(C(=O)O)cc3C2=O)c1 1875244166 BQLUJVNOGJWWRJ-LLVKDONJSA-N 361.354 0.486 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cncnc2)N1Cc1ccccc1 1875396934 XWPMZJXJRFVHPU-BEFAXECRSA-N 356.426 0.858 0 50 FCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cn(C)nc3OC)C2)n1 1875397044 IYXRBXBGQLZGHQ-CQSZACIVSA-N 373.461 0.564 0 50 FCAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cc(C(F)(F)F)n(C)n2)C[C@H]1O 1875402476 HPLPOYWHCJPAEC-PSASIEDQSA-N 363.340 0.077 0 50 FCAA CCc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]nc2C(C)C)[nH]c(=N)n1 1875405737 NJGQIAYONMEBNJ-QWRGUYRKSA-N 356.434 0.796 0 50 FCAA N=c1nc(C2CC2)nc(N2CC[C@@H](NC(=O)[C@@H]3CCCO3)C23CCC3)[nH]1 1875408572 ZKRIEFPZSQBYAU-QWHCGFSZSA-N 358.446 0.958 0 50 FCAA 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361.431 0.729 0 50 FCAA CN(CC1CCCC1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77408312 UKWCQTRBIYKQCX-LSDHHAIUSA-N 365.503 0.678 0 50 FCAA O=C(c1ccccc1-c1nnn[nH]1)N1CCOC[C@](O)(CN2CCCC2)C1 77485470 LVKZAQXYDMLBDV-SFHVURJKSA-N 372.429 0.166 0 50 FCAA COc1ccccc1N1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1(C)C 77487811 TWTOMIHVSKDFRN-UHFFFAOYSA-N 372.425 0.742 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)CN1Cc1cnn(C)c1C 91425255 ZJEXVYFWRTZICC-ZBFHGGJFSA-N 373.461 0.269 0 50 FCAA COc1ccc2c(c1)C[C@H](C(=O)NCCS(=O)(=O)N1CCCC1)CO2 91586076 GIKUVNNWYGCDQW-AWEZNQCLSA-N 368.455 0.788 0 50 FCAA O=C(CN1C(=O)CNC1=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 92021573 DCUHPHBKWYUZES-HNNXBMFYSA-N 361.398 0.625 0 50 FCAA NC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCSCC3)c2)C1 95370792 DXAQPUBMOAPCEQ-ZDUSSCGKSA-N 369.512 0.845 0 50 FCAA Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)nn2C 95388442 VDYKNAXVBBNOPN-CQSZACIVSA-N 357.458 0.908 0 50 FCAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CC(c2ccccn2)C1 97360058 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0.746 0 50 FCAA O=C1CC2(CN(C(=O)[C@H]3CO[C@H](Cn4cccn4)C3)C2)n2ccnc2N1 1875397283 UCDHTXLOZBQJQP-OLZOCXBDSA-N 356.386 0.065 0 50 FCAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NC(=O)CCc1ccccc1F 1875401568 LLLUSHOUOHSRID-LSDHHAIUSA-N 359.405 0.981 0 50 FCAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cnc(C)n2-c2ccccc2)C[C@H]1O 1875401653 NVNIOLZVISRQKF-RHSMWYFYSA-N 371.441 0.819 0 50 FCAA COC(=O)[C@H]1CN(S(=O)(=O)N2CCO[C@H](C)C2)Cc2ccccc21 2325758336 DIQFKDZRDUIFMQ-DOMZBBRYSA-N 354.428 0.724 0 50 FCAA CN1CCN[C@H](CNC(=O)c2[nH]nc3ncc(Br)cc23)C1 2325801693 SEDAMYKYRVWUJN-SECBINFHSA-N 353.224 0.354 0 50 FCAA NC(=O)C(F)(F)[C@@]1(O)CCN(C(=O)CCc2ccc3c(n2)NCCC3)C1 2325860417 HSLRRPXPGPHBCH-MRXNPFEDSA-N 368.384 0.456 0 50 FCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)COc4ccccc4C(N)=O)C[C@@H]13)O2 2356140114 UXFSKGHMIIZQCR-RPWFAHAXSA-N 373.453 0.732 0 50 FCAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 2356140171 XEMLPKJABYIREF-ZDUSSCGKSA-N 362.357 0.291 0 50 FCAA O=C1CCN(c2ccccc2C(=O)N2C[C@H]3COC[C@@]3(CO)C2)C(=O)N1 2356147218 MZYRLUZLILGLGT-SGTLLEGYSA-N 359.382 0.214 0 50 FCAA O=C(CCCn1cncn1)N1CC[C@H]2[C@@H]1CCN2c1ncnc2[nH]cnc12 2356170903 KBHDAMPKZBRNOT-STQMWFEESA-N 367.417 0.604 0 50 FCAA CN1CCN(c2ncc3c(=O)n(NC(=O)c4ccncc4)ccc3n2)CC1 9290438 DSENTPPQRWDKSB-UHFFFAOYSA-N 365.397 0.322 0 50 FCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCSC)c1 12002426 DRIRPPMKVZPDMU-OAHLLOKOSA-N 351.472 0.865 0 50 FCAA O=C(O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3[nH]c(=O)oc3c1)C2 65427343 MJWXKSMAGIJTOZ-UHFFFAOYSA-N 364.339 0.220 0 50 FCAA C[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)N1CCOCC1 72145700 ZPCZTZPHXUKWHU-ZDUSSCGKSA-N 369.425 0.437 0 50 FCAA Cc1cc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 72421764 OIPHKMVTSQZTMV-KGLIPLIRSA-N 367.427 0.233 0 50 FCAA CC(C)N1CCN(Cc2cc3n(n2)CCN(C(=O)c2ncn[nH]2)C3)C[C@H]1C 72438309 SVCTUNPAMFFSNZ-CQSZACIVSA-N 372.477 0.572 0 50 FCAA CS(=O)(=O)c1cnc(NCC2CCNCC2)nc1[C@@H]1CCCNC1 72477469 YYBGCVHRLHWMMH-CYBMUJFWSA-N 353.492 0.759 0 50 FCAA Cc1c(CN2CCC(c3nnc(CN(C)CCO)n3C)CC2)cnn1C 77353730 OGOPVBBCYFNWES-UHFFFAOYSA-N 361.494 0.661 0 50 FCAA O=C(N[C@@H]1CCN(c2nc(-c3ccccc3)no2)C[C@H]1O)c1cnccn1 77453568 HEEGLSUVVKOEOO-UKRRQHHQSA-N 366.381 0.896 0 50 FCAA CN(C1CCOCC1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95355278 VNBPJYOLFYMXEJ-UHFFFAOYSA-N 368.455 0.959 0 50 FCAA O=C(c1nnc2n1CCCC2)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95497815 CMYVKHKYRVGOPV-MRXNPFEDSA-N 355.442 0.933 0 50 FCAA CN(C)C(=O)N1CCN(C(=O)c2ccsc2)[C@H]2CS(=O)(=O)C[C@H]21 95511645 FRRDYVFINGUXNO-NWDGAFQWSA-N 357.457 0.353 0 50 FCAA CC1(C)CC[C@H](O)[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@@H]3[C@@H](O)[C@H](O)[C@@]12O 166780122 UEXXTJMWLNVGOF-UNZQKMDISA-N 366.454 0.929 0 50 FCAA biogenic C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1 188435494 NGVMFDIOJHGFIL-SNVBAGLBSA-N 365.231 0.979 0 50 FCAA CN1CCN([C@H]2CCN(C(=O)Cc3c(F)ccc(F)c3F)C[C@@H]2O)CC1 208050156 DHCDZISCMXWAHB-HOTGVXAUSA-N 371.403 0.856 0 50 FCAA CC1(C)NC(=O)N(CC(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)C1=O 216343326 PNJPEGXGWKSRDS-UHFFFAOYSA-N 357.374 0.015 0 50 FCAA CCc1nc(C)c(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)c(=O)[nH]1 219513937 NGAKJRCDCXDXCR-ZDUSSCGKSA-N 356.430 0.758 0 50 FCAA Cc1[nH]c(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)c1C(=O)O 244724051 MMMNXYAWGSQVET-NSHDSACASA-N 357.432 0.731 0 50 FCAA CCOc1ccc(CN2CCN(C(C)=O)[C@H]3CS(=O)(=O)C[C@H]32)cc1 247902019 BCLNBDITJRBTJH-SJORKVTESA-N 352.456 0.915 0 50 FCAA C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)O 262701288 KMEMCFRFPSHUQG-MNOVXSKESA-N 357.432 0.649 0 50 FCAA C[C@@H]1CC(C)(C)[C@@H](CNC(=O)c2ncn(C)n2)[C@@H]1NC(=O)c1ncn(C)n1 292027047 WGBFIDVBTYTXKQ-GRYCIOLGSA-N 374.449 0.154 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)CCO1 299751195 PVHTYQVFJDJRRD-STQMWFEESA-N 354.309 0.630 0 50 FCAA C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCn3nccc32)C1=O 367500434 NACAOSXCBFKFJT-QGZVFWFLSA-N 357.345 0.836 0 50 FCAA Cc1cccc2[nH]cc(CC(=O)N3CCO[C@@H](CN(C)CC(N)=O)C3)c12 370224753 MFDUNYOIUUGQKV-HNNXBMFYSA-N 358.442 0.663 0 50 FCAA CN(C)C(=O)CN1CCC(NC(=O)[C@@]2(O)CCc3ccccc3C2)CC1 370277239 SZJXBHFNIXDFML-HXUWFJFHSA-N 359.470 0.575 0 50 FCAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCc2cnc3ccccn23)[nH]1 426563526 YXHVXEFSVDTRSS-ZDUSSCGKSA-N 354.414 0.488 0 50 FCAA COc1ccc2c(C)c(CC(=O)N3C[C@@H]4NCCO[C@H]4C3)c(=O)oc2c1 584892390 AICLLSFPTSUGGX-RDJZCZTQSA-N 358.394 0.852 0 50 FCAA CN(Cc1nc2ccc(F)cc2[nH]1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952982318 GOHNNVQIUVIKKH-SNVBAGLBSA-N 361.420 0.651 0 50 FCAA Cn1ccnc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 1506398509 DUQXCEUQGJZYAC-NXEZDXNNSA-N 365.393 0.736 0 50 FCAA NC(=O)C1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1529173540 YHNKPAATSLIMCY-SJORKVTESA-N 372.425 0.236 0 50 FCAA Cn1c(O)ncc(CC(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)c1=O 1565506704 XTVRWRDPRKMCCW-UZLBHIALSA-N 371.437 0.871 0 50 FCAA O[C@H]1CN(Cc2cnc(N3CCOCC3)s2)CC[C@@H]1N1CCOCC1 1614351692 HUGQXYNBTVOBLI-HOTGVXAUSA-N 368.503 0.247 0 50 FCAA Cc1cnc2c(C(=O)N3CCCN(c4nccc(N)n4)CC3)cnn2c1 1772818276 BXLHSNMZKVFHJC-UHFFFAOYSA-N 352.402 0.762 0 50 FCAA CN1CCn2nc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cc2C1=O 1857675226 OMHGKQBOENLBIG-UHFFFAOYSA-N 366.385 0.121 0 50 FCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2cccnc2)C1)c1cn[nH]c1 1857685559 XSXMEZKGWNBQNZ-LPHOPBHVSA-N 368.441 0.848 0 50 FCAA N=c1nc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c2nc[nH]c2[nH]1 1857714501 BQGKTOFNDMFZSX-JJFYZRJRSA-N 352.398 0.339 0 50 FCAA COc1ccc(CCC(=O)N2CCCN(C3=NC[C@@H]([C@H](C)O)N3)CC2)cc1 1875315014 DXQGNOVREPQHCX-YJBOKZPZSA-N 374.485 0.871 0 50 FCAA O=C([C@H]1CNc2ccnn2C1)N1CCOC[C@H](NC(=O)C23CC(C2)C3)C1 1875407692 FZPPJPAVGPRPLQ-RYTBJUFESA-N 359.430 0.069 0 50 FCAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCO[C@@H](c2nnnn2C)C1 2100544991 DXIMMVLNPVMVDA-CQSZACIVSA-N 372.433 0.513 0 50 FCAA Cn1c(O)nc(N2CC[C@H](NC(=O)c3cc[nH]c4nccc3-4)C2)cc1=O 2325848856 UOWYHDNLYJEGQV-JTQLQIEISA-N 354.370 0.323 0 50 FCAA CCOC(=O)[C@@H](NC(=O)[C@@H](O)C1(O)CCOCC1)c1ccc(Cl)cc1 2325861405 OURZDJPYNBXTPS-UONOGXRCSA-N 371.817 0.963 0 50 FCAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(OC)c(OC)c1)C2 2356139233 FKWJQPKKJNNIOG-LRDDRELGSA-N 357.428 0.987 0 50 FCAA CN1CCN(C)C2(CCN(c3nccc(N4CCC(O)CC4)n3)CC2)C1 67805175 PBOBSVDDZXMOGA-UHFFFAOYSA-N 360.506 0.654 0 50 FCAA COc1cccc(C(=O)N2CCN(C(=O)CCN3CCCC3=O)CC2)c1 67969786 XINSUNXYKASDDV-UHFFFAOYSA-N 359.426 0.992 0 50 FCAA CCN1C[C@@]2(C(=O)O)CN(C(=O)CCc3scnc3C)C[C@H]2C1=O 72421465 KURKYCALLILONY-MEDUHNTESA-N 351.428 0.776 0 50 FCAA Cc1nc(NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)c2c(C)nn(C)c2n1 72476647 MAWIGVASXIUKOJ-UHFFFAOYSA-N 369.433 0.727 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O 77298152 VAJDGQBWYOBFFN-XSWJXKHESA-N 361.398 0.370 0 50 FCAA CN(Cc1cccnc1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77425821 RBQFXKKELDTFBV-LSDHHAIUSA-N 374.470 0.083 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 77555622 ZNGLSZGEQJLHLD-LBPRGKRZSA-N 367.409 0.963 0 50 FCAA CN1CCN(S(=O)(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)CC1 91621192 MYYSDWHMDVNWMN-QGZVFWFLSA-N 370.519 0.203 0 50 FCAA O=C(NCc1ccc2nonc2c1)c1cnc(Cn2cncn2)nc1O 91770659 GOJGSCSSQVDFEY-UHFFFAOYSA-N 352.314 0.288 0 50 FCAA O=C1NC(=O)[C@H](CCC(=O)N(Cc2ccncc2)Cc2ccncc2)N1 91986070 XADIVAYMIBOUPT-HNNXBMFYSA-N 353.382 0.994 0 50 FCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cc(S(N)(=O)=O)ccc1C 95522528 YNMZZYUTTFIURK-GJZGRUSLSA-N 370.475 0.872 0 50 FCAA COc1ccnc(N2CCN([C@H]3CCN(c4cnn(C)c4)C3=O)CC2)c1 111226417 VPTKMRYRGPGRDP-INIZCTEOSA-N 356.430 0.751 0 50 FCAA COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 163744273 ZXERSKSJGAARQA-HZPDHXFCSA-N 374.485 0.800 0 50 FCAA O=C(CCc1cnccn1)N1C[C@@H]2C(=O)N(CC3CC3)C[C@]2(C(=O)O)C1 215098133 GJDCYXIFFPRRRL-RDTXWAMCSA-N 358.398 0.191 0 50 FCAA COc1ncc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)nc1OC 219453122 DFJJGOCPVZPEHL-CHWSQXEVSA-N 360.370 0.855 0 50 FCAA O=c1cc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)[nH]c2ncnn12 223202817 JVLVMGRKDNWWEA-INIZCTEOSA-N 355.402 0.463 0 50 FCAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3nnc4n3CCCCC4)nn2)CC1 244690882 IYNUTYNUHKEIMT-BETUJISGSA-N 358.450 0.968 0 50 FCAA CN1C(=O)C[C@H](C(=O)N2CCN(c3nccn3C)CC2)[C@H]1c1cccnc1 266430209 CZLUGXGLLYSROW-DOTOQJQBSA-N 368.441 0.683 0 50 FCAA CN(C)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@@H]1O 299758213 MTRFKYSNFSWWLT-IRXDYDNUSA-N 363.433 0.811 0 50 FCAA Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 330671837 CSNGMNSAPVCDMM-SNVBAGLBSA-N 357.432 0.564 0 50 FCAA Cc1cc(N2CCC[C@H](NC(=O)c3cnc(N(C)C)cn3)C2=O)n(C)n1 332363934 DDGSMCAQDHQFKH-LBPRGKRZSA-N 357.418 0.510 0 50 FCAA COc1cc2c(cc1S(=O)(=O)N1CC[C@H]3CNC[C@H]31)OCC(=O)N2 368632701 LRKFYIVGGRJPBA-GXSJLCMTSA-N 353.400 0.009 0 50 FCAA Cc1cc(C)n(C2CN(c3cc([C@@H]4CCOC4)nc(NCCO)n3)C2)n1 426370894 BFJDLSNJQFQIHH-CQSZACIVSA-N 358.446 1.259 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCn1cnnc1 426412684 GOMJAUWQOMQOQW-MRXNPFEDSA-N 356.430 0.093 0 50 FCAA CN(C)C(=O)c1nc(CSc2nnc([C@H]3CCCNC3)n2C)no1 426612323 IAEQFSSOMWLVBF-VIFPVBQESA-N 351.436 0.659 0 50 FCAA 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0.940 0 50 FCAA COc1ccc(N2CCN(C(=O)c3cc4n(n3)CCN(C)C4=O)CC2)cn1 1857680897 XMYSFSHKVAELEW-UHFFFAOYSA-N 370.413 0.335 0 50 FCAA O=C1C[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@H]2CCc4c[nH]nc42)C3)CO1 1875406279 AVGUZGQGIYKCAJ-RFGFWPKPSA-N 358.398 0.204 0 50 FCAA Cn1ccc(C(=O)N2CC3(CCC[C@@H]3NC(=O)CN3C[C@@H]4C[C@H]4C3)C2)n1 1875406693 KCJRDXGTAHYZKV-DZKIICNBSA-N 357.458 0.483 0 50 FCAA COCCN1CCN(C(=O)c2ccc3nnc([C@@H](O)C(C)C)n3c2)CC1 1940196556 RWFLOOKORUANSI-INIZCTEOSA-N 361.446 0.823 0 50 FCAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cnc3cnn(C)c3c2)C1 2100544663 DDCRBNJZEFVSCS-NSHDSACASA-N 355.402 0.609 0 50 FCAA Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 2325849594 UYTVMXUKQKTXLW-FVQBIDKESA-N 360.414 0.405 0 50 FCAA Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C(O)N(C)C2=O)cc1 2863477 QOCUWGVHOSYUKK-NSHDSACASA-N 351.306 0.918 0 50 FCAA CCN(CC)C[C@@H](O)COc1ccc(CN(CCO)CCO)cc1OC 12454891 XPJPQSYQDNAJDA-QGZVFWFLSA-N 370.490 0.563 0 50 FCAA CN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 16189069 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366.439 0.140 0 50 FCAA Cc1nc[nH]c1CN1CCN(Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565509068 FFKHTGQOIZCJHB-DLBZAZTESA-N 361.471 0.597 0 50 FCAA CSc1ccccc1C(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565510972 LZNKOFDPHFOMIG-KBPBESRZSA-N 351.472 0.662 0 50 FCAA Cc1ccccc1SCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565525199 RJOVWEUGZVWWNN-GJZGRUSLSA-N 365.499 0.727 0 50 FCAA Cc1nn(C)c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1Cl 1704303039 HXAQZJVLUAITGM-UWVGGRQHSA-N 364.855 0.018 0 50 FCAA Cc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)ccn1 1857527263 BNHFXNRLGSKUCM-HUUCEWRRSA-N 356.430 0.616 0 50 FCAA Cc1cc(O)c(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@@]45CCOC5)[C@H]3C2)nn1 1875331970 HLJUVZALUKDKKC-DTBSYYQWSA-N 358.398 0.104 0 50 FCAA O=C(c1ccc(Cn2cc(CO)nn2)cc1)N1CCN([C@@H]2CCOC2)CC1 1875361780 BFHGDRGGPMFGAU-GOSISDBHSA-N 371.441 0.365 0 50 FCAA COCc1c(CN[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)nnn1C 1875398561 WBVIBBKLBHAJSF-IXPVHAAZSA-N 354.842 0.741 0 50 FCAA C[C@]1(F)CN(C(=O)c2c[nH]c(=N)o2)CCN(C(=O)c2cncs2)C1 1875404964 GAPUEYGOCUZCII-AWEZNQCLSA-N 353.379 0.870 0 50 FCAA COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCOCC1 1426215 ZIRURGGHBNPBKC-UHFFFAOYSA-N 354.428 0.952 0 50 FCAA Cc1ccc(CN2CCN(c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)cc1 9356369 ZHKPXUNZECJBEX-UHFFFAOYSA-N 368.441 0.591 0 50 FCAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55243682 ZRHVQHWMNSKFOY-AWEZNQCLSA-N 369.368 0.287 0 50 FCAA CC[C@@]1(C2CCN(C(=O)c3nnc4n3CCCC4)CC2)NC(=O)NC1=O 67724207 XGJDHOKSKFZGQY-KRWDZBQOSA-N 360.418 0.455 0 50 FCAA O=C1CCC(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)=NN1 71748158 NHPKYRAODAXKOO-UHFFFAOYSA-N 351.366 0.588 0 50 FCAA C[C@H]1CCc2n[nH]c(C(=O)N3CCc4c(nc(N(C)C)[nH]c4=O)C3)c2C1 71749802 OIGPTFRLHHYOFT-JTQLQIEISA-N 356.430 0.882 0 50 FCAA COCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3nonc3C)CC[C@H]21 72412459 XMHLONFAFSBKNR-DZGCQCFKSA-N 350.419 0.797 0 50 FCAA CS(=O)(=O)CC[C@@H](NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C(=O)O 95367428 DNHVFOAPNGXENO-LLVKDONJSA-N 367.383 0.400 0 50 FCAA Cc1cccc(N2CCN(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)c1 95368794 RMKSPIJIJHNMLD-INIZCTEOSA-N 363.483 0.934 0 50 FCAA CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)NC)c1 95368980 HDNDDDYCSRTETR-CYBMUJFWSA-N 371.459 0.208 0 50 FCAA Cn1nnnc1SCCNC1CCN(c2ncnc3[nH]cnc23)CC1 95498491 VRPQTUYSTJUEMG-UHFFFAOYSA-N 360.451 0.227 0 50 FCAA CC(C)c1noc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95500861 DQLVXFZPWYXJLY-NWDGAFQWSA-N 371.463 0.158 0 50 FCAA Cc1n[nH]c(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95502562 SLZXURIGGMZVND-CVEARBPZSA-N 361.471 0.597 0 50 FCAA Cn1ccnc1[C@H](O)C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 216459650 DUMTZSCQPRBEOM-CYBMUJFWSA-N 363.418 0.023 0 50 FCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CNS(=O)(=O)c1cccs1 220752901 INUPRLTUYJCUEC-PJQZNRQZSA-N 360.457 0.193 0 50 FCAA O=S(=O)(c1cccc2nsnc12)N1CCCn2nc(CO)cc2C1 223203640 QMFMYTYKISFEKA-UHFFFAOYSA-N 365.440 0.975 0 50 FCAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 237162517 LULPZYKZCZOBBO-ZDUSSCGKSA-N 365.459 0.767 0 50 FCAA C[C@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1 237753473 NGVMFDIOJHGFIL-JTQLQIEISA-N 365.231 0.979 0 50 FCAA Cn1ccc(NC(=O)CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 252485147 GOARCMOHFUHPSV-GXTWGEPZSA-N 374.470 0.938 0 50 FCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](c3nccs3)C2)C1=O 264734560 IYHBRXLQZRNWPX-ZBEGNZNMSA-N 364.427 0.764 0 50 FCAA CCN(Cc1nnc(C)o1)[C@@H]1CN(Cc2noc(C(C)C)n2)C[C@H]1O 328656197 ZCKPKQVRYIWJBX-CHWSQXEVSA-N 350.423 0.952 0 50 FCAA C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC(=O)N(C)C1 329399671 YMCKDMFUMPSUIJ-SSDOTTSWSA-N 360.233 0.887 0 50 FCAA CN1CCCc2ccc(S(=O)(=O)NC[C@H](O)c3cnn(C)c3)cc21 366653743 NKKFPRFDOAMEPI-INIZCTEOSA-N 350.444 0.814 0 50 FCAA CCN(C(=O)c1ccc(-c2cc(OC)nc(N)n2)cc1)[C@H]1COC[C@@H]1O 426599832 YGPDOMYZUNLFAA-GJZGRUSLSA-N 358.398 0.956 0 50 FCAA Cn1c2c(cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)c1=O)CCCC2 426707183 KIVUPJXFCIMTBE-NSHDSACASA-N 353.444 0.015 0 50 FCAA CNc1cc(N2CCC[C@@H]2CNc2ccc(S(C)(=O)=O)cn2)ncn1 463251663 XNMCFDRRHTUMHW-GFCCVEGCSA-N 362.459 1.398 0 50 FCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)NCCc2nc(C3CC3)no2)C1 584900887 RSFDVWJRVXJNHA-NSHDSACASA-N 356.448 0.956 0 50 FCAA O=C(N[C@H]1CCCN(Cc2ccccc2F)C1)c1c[nH]nc1-n1cnnn1 670444627 CNPXIDVVJMKOFV-ZDUSSCGKSA-N 370.392 0.919 0 50 FCAA Cn1cnnc1SCC(=O)NC[C@@H](c1cccnc1)N1CCOCC1 1506415545 YZNRBNMJTVHXSG-AWEZNQCLSA-N 362.459 0.492 0 50 FCAA O=C(O)CN1C[C@@H]2[C@H](CNC(=O)c3ccc4c(c3)OCO4)[C@H]3CC[C@]2(C1)O3 1704297175 JKNAVMSDALFGLF-FGBSKUFISA-N 374.393 0.709 0 50 FCAA Cc1ncc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)[nH]1 1857678677 KETNMZQPHFPSKV-RYUDHWBXSA-N 362.411 0.672 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 1875371980 SNMZNFQAEHJDMW-WFASDCNBSA-N 359.430 0.455 0 50 FCAA Cc1nc(N2C[C@H]3CC[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)c2c[nH]nc2n1 1875408448 WWTLYAVJPHSKFK-DMDPSCGWSA-N 355.402 0.120 0 50 FCAA COc1ccc(CN2[C@H](C)C(=O)N(C)S2(=O)=O)cc1S(C)(=O)=O 2325750671 JUMNPGQQCKPIES-SECBINFHSA-N 362.429 0.006 0 50 FCAA N=c1[nH]c2cccc(C(=O)NC[C@@H]3C[C@H]3NC(=O)Cc3cc[nH]n3)c2o1 2325840714 MRVHGZCHMPUYIN-TVQRCGJNSA-N 354.370 0.441 0 50 FCAA NC(=O)CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 20599240 PNVYOPPTHHCXGZ-CQSZACIVSA-N 350.463 0.187 0 50 FCAA CNc1ccnc(N2CCC(n3cc(CN4CC[C@@H](O)C4)nn3)CC2)n1 23369172 ILIJHZWATQDPEZ-OAHLLOKOSA-N 358.450 0.518 0 50 FCAA CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC[C@@H](c2n[nH]c(=O)n2CC)C1 67974545 VBTOVYVODXOMFV-SNVBAGLBSA-N 364.406 0.164 0 50 FCAA CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72168537 BZEHQFOEACYRGJ-SFHVURJKSA-N 355.438 0.981 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N2CCC(OCc3ccccc3)CC2)c1=O 72423260 VNXFSFIFCLYZMZ-UHFFFAOYSA-N 357.410 0.824 0 50 FCAA CCCN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)NC)C2)cc1 91551035 RHRWYEOLPNIIMF-AWEZNQCLSA-N 367.471 0.925 0 50 FCAA CN(C)[C@H](C(=O)N1CCN(CCn2cncn2)CC1)c1cccc(F)c1 92065261 AEEWVRTWXJFXFF-KRWDZBQOSA-N 360.437 0.864 0 50 FCAA CN(C)[C@@H](C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1)c1ccc(F)cc1 95378735 YMDZKVKPEFSTJH-CQSZACIVSA-N 360.393 0.531 0 50 FCAA O=c1ncccn1Cc1nc(C2CCCC2)nn1[C@H]1CCS(=O)(=O)C1 96151128 GVJVUJRSPKSUPZ-ZDUSSCGKSA-N 363.443 0.900 0 50 FCAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)Cn2nnnc2C)C3)c1 96154049 HAFJYZWRODVVGT-UHFFFAOYSA-N 353.386 0.965 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C)CN1Cc1nccs1 96164383 GLHZWHMQLNIOIU-JSGCOSHPSA-N 361.471 0.991 0 50 FCAA COC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)ccc1Cl 101361099 MYMVUHVMVHOLJG-ZHRONYKTSA-N 363.753 0.932 0 50 FCAA CC1(C)COCCN1CCNC(=O)N1CCC[C@H](Cn2ccnn2)C1 179027237 HNMGOSQENHNFNC-HNNXBMFYSA-N 350.467 0.811 0 50 FCAA NC(=O)c1noc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 216812199 RADNDYCULUGTKT-KOLCDFICSA-N 362.415 0.248 0 50 FCAA O=C1CCCN1CC[C@H]1CN(C(=O)CN2CCNCC2=O)c2ccccc21 238052171 GGACMHONHAXSOW-HNNXBMFYSA-N 370.453 0.561 0 50 FCAA CNC(=O)c1noc(CNC(=O)CCCc2nc(-c3ccncc3)no2)n1 244811553 SGSSGKYXZDIBNC-UHFFFAOYSA-N 371.357 0.513 0 50 FCAA CC(=O)N[C@H]1C[C@H](c2cc(N3CCC(NS(C)(=O)=O)CC3)ncn2)C1 244852547 UUJBWQIWDMCCJB-MQMHXKEQSA-N 367.475 0.377 0 50 FCAA CS(=O)(=O)N1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 244858633 VOZLLUGKZZQJCX-UHFFFAOYSA-N 368.459 0.081 0 50 FCAA C[C@H](O)c1cn(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nn1 268593317 GLLJEEMEKSOOCQ-LBPRGKRZSA-N 370.413 0.838 0 50 FCAA COCCn1nnnc1[C@@H]1CN(C(=O)Nc2ccc(OC)nc2)CCO1 299773174 CUGADGQPTYEJIM-LBPRGKRZSA-N 363.378 0.329 0 50 FCAA Cc1cnn([C@H](C)C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c1 299782151 FQQFAFBLGHFEJM-GFCCVEGCSA-N 366.447 0.041 0 50 FCAA CCn1cncc1S(=O)(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O 330350844 LOCREKDBMDMMIZ-GFCCVEGCSA-N 366.447 0.593 0 50 FCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 333961576 MAUNXKMCZYLBRX-WXRXAMBDSA-N 359.426 0.451 0 50 FCAA C[C@@](CO)(NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc(O)c1 411740373 YAALZIGLSVESSR-AWEZNQCLSA-N 363.336 0.968 0 50 FCAA CN1C(=O)[C@@H]2CN(C(=O)NCc3nc(-c4ccccc4F)no3)C[C@@H]2C1=O 584890171 VGXNPUYNZFSUIO-PHIMTYICSA-N 373.344 0.632 0 50 FCAA Cc1noc([C@@H]2COCCN2C2CN(C(=O)c3cnn(C4CC4)c3)C2)n1 888094122 MHVBHQHKHNCEBC-HNNXBMFYSA-N 358.402 0.807 0 50 FCAA COc1ccc(OCCCN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529195310 IRVGTJCDVFGTFH-WMLDXEAASA-N 372.487 0.648 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704335663 QGCSLJDGIBAXIY-FRRDWIJNSA-N 365.455 0.629 0 50 FCAA O=C(CCCn1cncn1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857719926 YRNGLKHAICANHG-PSBWJHGTSA-N 356.426 0.654 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857733305 DNPXJDFKIWGZBS-QAPCUYQASA-N 368.397 0.073 0 50 FCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)c3cn(C)nn3)C2)c1C 1875397668 JMRNYSGABKORHB-ZIAGYGMSSA-N 372.477 0.853 0 50 FCAA CCn1cc(C(=O)N2C[C@@H]3CC[C@@H](Nc4nc(C)nc(=N)[nH]4)[C@H]3C2)nn1 1875406140 YAHOXRMOYHEBDU-SDDRHHMPSA-N 357.422 0.167 0 50 FCAA CN(C)CCOc1ccc2c(NC(=O)CN3C(=O)CN(C)C3=O)n[nH]c2c1 2100545120 PZESNAMMAKKZPI-UHFFFAOYSA-N 374.401 0.336 0 50 FCAA Cc1noc(COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)n1 2325893876 KARNWTJCIHBRGB-LBPRGKRZSA-N 370.321 0.358 0 50 FCAA C[C@@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1 19818752 KXIOUZXJQUYJEM-LBPRGKRZSA-N 372.425 0.572 0 50 FCAA CCn1c([C@H]2CCCN(S(=O)(=O)C3CC3)C2)nn(CCN(C)C)c1=O 67673825 DZLXTJIVCNSEJW-ZDUSSCGKSA-N 371.507 0.298 0 50 FCAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCS(=O)(=O)CC3)c12 72454753 QMPYMCASFZMFDV-UHFFFAOYSA-N 358.427 0.969 0 50 FCAA O=C(C[C@H]1COCCN1C(=O)CCCc1cn[nH]c1)N1CCCOCC1 72458087 UQJKKRZKPJBRGL-INIZCTEOSA-N 364.446 0.599 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)N1 75042061 ZIDKZBKAASLKSC-HNNXBMFYSA-N 365.455 0.329 0 50 FCAA NCCn1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)nn1 77338168 YCLLQAXTENEXGF-UHFFFAOYSA-N 372.477 0.512 0 50 FCAA COc1ccc(C(=O)N2CCOC[C@H](CO)C2)cc1N1CCOCC1 77519430 DIJCUXPVZPHXAX-AWEZNQCLSA-N 350.415 0.613 0 50 FCAA O=C(CN1CCC[C@H]1C(=O)N1CCOCC1)Nc1ccc(Cl)cn1 79397591 IUUDJWOGJZCHHW-ZDUSSCGKSA-N 352.822 0.997 0 50 FCAA O=S(=O)(NCc1cc2n(n1)CCCNC2)c1ccc2c(c1)OCCO2 82161698 WPXGOTZWWXKVBB-UHFFFAOYSA-N 364.427 0.626 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)NCCc1ccc2c(c1)OCO2 91416464 GWMQLBQMISSEKD-UHFFFAOYSA-N 369.425 0.686 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)nn2CCOCC)CN1C 91440834 VYVKSOHHNWLBPM-KBPBESRZSA-N 351.451 0.167 0 50 FCAA CNc1ncc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2F)cn1 91468830 BORRNLVEEXFXAA-UHFFFAOYSA-N 353.379 0.577 0 50 FCAA CN1CCN(C(=O)c2ccc(S(=O)(=O)N[C@H]3CCOC3)cc2)CC1 91665185 TYAHKXOHJPDMJL-AWEZNQCLSA-N 353.444 0.141 0 50 FCAA CN(Cc1ccccc1)S(=O)(=O)N[C@H]1CN(CCO)C[C@@H]1C1CC1 91793653 SHJONWPTJIMXOJ-SJORKVTESA-N 353.488 0.656 0 50 FCAA COc1cc(N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)nc(N)n1 91965285 DKFOYFIEHYRAOW-GFCCVEGCSA-N 369.433 0.825 0 50 FCAA CN(Cc1cc[nH]n1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 92046629 KFZCPDPGAQFSSB-UHFFFAOYSA-N 363.443 0.276 0 50 FCAA Cc1ncnc(N2CCCN(S(=O)(=O)N3CCOCC3)CC2)c1C 95353820 QLPHQJVBULTTMD-UHFFFAOYSA-N 355.464 0.183 0 50 FCAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)NC2(C(N)=O)CCCC2)c1 95530920 UUBHLHYJIOMLFE-UHFFFAOYSA-N 369.447 0.825 0 50 FCAA Cc1nonc1OCCNC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 97594788 AGYDNQXJTUAVIE-UHFFFAOYSA-N 374.357 0.977 0 50 FCAA Cc1cccc(N(CC(=O)NCCN2CCC[C@@H](O)C2)S(C)(=O)=O)c1 105986094 WFQZEDJUKBGJIS-MRXNPFEDSA-N 369.487 0.334 0 50 FCAA CN1CCN(CCCn2cnnn2)C[C@]12CCC(=O)N(CC1CC1)CC2 107399005 YNOMEQUKHNOCJO-GOSISDBHSA-N 361.494 0.472 0 50 FCAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCCO 206240909 PFCIHLCGFQLDOG-GFCCVEGCSA-N 363.370 0.115 0 50 FCAA COCCN1C[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1=O 214988967 GWYOXOKXFDGSEL-INIZCTEOSA-N 373.453 0.902 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC2CCN(c3ccccc3)CC2)[C@H]2CCO[C@H]21 220400603 CHXLIYMBJYBCRR-XMTFNYHQSA-N 365.499 0.950 0 50 FCAA CC[C@H](C)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 239377483 NZLBBWKRFWAHOK-JEBVVYEKSA-N 353.415 0.523 0 50 FCAA COC(=O)c1cn([C@@H](CO)[C@@H](O)c2ccc(N)cc2)cc2c(=O)[nH]nc1-2 263585720 LOZYPNQGFGOHAJ-ZFWWWQNUSA-N 358.354 0.312 0 50 FCAA biogenic Cn1c(=O)n(CC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c2ccccc21 292093104 LGAWVMYICOLGGC-GFCCVEGCSA-N 351.428 0.233 0 50 FCAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 332639865 YFKRZPGSXFEHQE-FRRDWIJNSA-N 355.464 0.065 0 50 FCAA CO[C@H]1C[C@H](C(=O)N(C)c2nc3ccccc3o2)N(S(C)(=O)=O)C1 370499218 LCSXRRNILNSZDW-CMPLNLGQSA-N 353.400 0.840 0 50 FCAA NC(=O)[C@]1(O)CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)C1 376958182 OFPGLZYAXNWJST-KRWDZBQOSA-N 354.353 0.462 0 50 FCAA CN(C)S(=O)(=O)CCNC(=O)N(Cc1ccc2c(c1)OCO2)C1CC1 534587840 HVPKORYGNYEDPL-UHFFFAOYSA-N 369.443 0.981 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)NCCSCc3ccccc3)C[C@@H]12 534657468 LCNJLWBJBDBWDU-AWEZNQCLSA-N 362.455 0.272 0 50 FCAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3cncc(F)c3)cc2C1 534662595 OISGCWJHZKRTIF-UHFFFAOYSA-N 353.379 0.122 0 50 FCAA Cc1ccn(CC(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)c(=O)c1 864837251 VKLIBENSWQSUPL-CYBMUJFWSA-N 357.414 0.734 0 50 FCAA CCN1CCO[C@@H](CNS(=O)(=O)c2ccoc2)[C@@H]1c1nccn1C 888078770 ZBKFPZCZBJUZIE-UONOGXRCSA-N 354.432 0.753 0 50 FCAA Cc1cc(N)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)n1 952975707 JZMOYWBVKXJPNO-UHFFFAOYSA-N 352.398 0.814 0 50 FCAA CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC2(CC1)CNC(=O)C2 1322399419 AUSYVRPUSKHZRB-UHFFFAOYSA-N 371.484 0.741 0 50 FCAA Cn1cc([C@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2CC(=O)O)nn1 1565509938 LPQGQBNOOAPCPR-ZJUUUORDSA-N 356.429 0.756 0 50 FCAA CCn1nc(C)c(NC(=O)CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c1C 1704311682 QBDFNEFIPBMWLD-IYBDPMFKSA-N 350.375 0.320 0 50 FCAA O=C1NCCN(C(=O)c2cc(N3CCOCC3)no2)[C@H]1c1cccc(F)c1 1772804438 PAOMQXUNABHJKQ-INIZCTEOSA-N 374.372 0.964 0 50 FCAA Cc1cnccc1-n1nc(CC(N)=O)nc1[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857717652 RDIVAZPRQCFTCL-GZBFAFLISA-N 356.430 0.623 0 50 FCAA O=C(O)C[C@H](NC(=O)c1cncc(I)c1)C(=O)O 1875353159 LJVAWQMSMFNCHI-ZETCQYMHSA-N 364.095 0.344 0 50 FCAA C[C@@H](CO)N1C(=O)C[C@H](N2CCN(c3cccc4cc[nH]c34)CC2)C1=O 2325804987 HGPHZUGIHRRMBE-BBRMVZONSA-N 356.426 0.798 0 50 FCAA CCn1c(O)nc(N2CC[C@@H](NC(=O)c3cnn4c3CCC4)C2)cc1=O 2325849545 SOISPQLFOIKTJE-LLVKDONJSA-N 358.402 0.120 0 50 FCAA COc1ccc([C@H](C)NC2=CC(=O)N([C@H]3CCC(=O)NC3=O)C2=O)cc1 2325854085 NUBAOCOCGHSYLZ-HZMBPMFUSA-N 357.366 0.404 0 50 FCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)CCCN1CCOCC1 12758832 GUJZEELLKNNWFX-QGZVFWFLSA-N 368.522 0.404 0 50 FCAA O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCN1CCOCC1 19913497 RWCZFGWKERTELN-UHFFFAOYSA-N 359.426 0.901 0 50 FCAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(COc2ccccc2)[nH]n1 67674241 PZLFKQLYQKQLJA-HNNXBMFYSA-N 371.397 0.065 0 50 FCAA CCOC(=O)CN1CCN(C)C2(CCN(C(=O)N3CCOCC3)CC2)C1 67757580 RURYNPDIGSPKCP-UHFFFAOYSA-N 368.478 0.084 0 50 FCAA Cn1ccnc1C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 67907886 YYVWFVVCQAPEMM-UHFFFAOYSA-N 357.418 0.725 0 50 FCAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)C(=O)N1CCOCC1)C2 71750408 GTVRBBYBKSCBIU-UHFFFAOYSA-N 359.430 0.129 0 50 FCAA CS(=O)(=O)c1cnc(N2CCc3n[nH]cc3C2)nc1[C@@H]1CCCNC1 72475601 ACFKTGKLCCZVCF-LLVKDONJSA-N 362.459 0.633 0 50 FCAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)CCC(N)=O)C1 72477065 NHSGWYXDJSGYST-CQSZACIVSA-N 362.478 0.773 0 50 FCAA COCCCN1C(=O)CC[C@H]2CN(C(=O)N3CCN(C)CC3)CC[C@H]21 72477137 HYDPEDAYPURDMC-JKSUJKDBSA-N 352.479 0.703 0 50 FCAA COCCC(=O)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 77518471 GLFHIWXUYYXRFA-CQSZACIVSA-N 365.478 0.514 0 50 FCAA O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1Cc2cnn(CCO)c2C1 82126619 RGNSJUOXPBBXGR-CQSZACIVSA-N 359.434 0.155 0 50 FCAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c(C)n1 91780447 NSXXRCJTDSRARC-UONOGXRCSA-N 359.430 0.245 0 50 FCAA Cc1cccc([C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)c1 91973688 NUMGPDWWQXXLPK-INIZCTEOSA-N 368.503 0.548 0 50 FCAA Cc1ncc(S(C)(=O)=O)c(N2CCC(C(=O)N3CCOCC3)CC2)n1 95367311 RTRNMJHVDVQFNR-UHFFFAOYSA-N 368.459 0.264 0 50 FCAA CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C(=O)N(C)C)o2)CC1=O 95384299 CCKZOXFJFZTTDA-LBPRGKRZSA-N 350.419 0.008 0 50 FCAA NC(=O)Cn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 95524407 SCKWTTLXXAHPBI-CYBMUJFWSA-N 359.430 0.085 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc[nH]n2)CN1C(=O)Cc1ccccc1 96150851 CTUVRVBNIMWUQS-HOCLYGCPSA-N 369.425 0.488 0 50 FCAA Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 175296630 IAFWEYLXAKJEPQ-GOEBONIOSA-N 352.398 0.640 0 50 FCAA COc1ccc([C@@H](NS(=O)(=O)N2CCOCC2)C2CC(O)C2)cn1 218990766 AXIBTPKOGDLEQG-SSDMNJCBSA-N 357.432 0.069 0 50 FCAA Cc1cc(C)n(CC(=O)N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 219100827 BSBJJAUKCQTHFN-GOSISDBHSA-N 369.429 0.554 0 50 FCAA CN1CCN(c2ncnc3c2CCN(C[C@H]2CCOC2)CC3)CCC1=O 244741996 OAGMJAUWLMQHHH-OAHLLOKOSA-N 359.474 0.582 0 50 FCAA Cn1c(CNCCn2ncc3ccccc3c2=O)nnc1[C@H]1C[C@@H](N)C1 252539674 OHSPITBPBIOAEU-OKILXGFUSA-N 353.430 0.520 0 50 FCAA Cc1nc2n(n1)C[C@@H](NC(=O)Cn1c(O)nc(=O)c3ccccc31)CC2 263891791 SFFCMMRYTPAPPX-NSHDSACASA-N 354.370 0.133 0 50 FCAA CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CCO1 265526899 DTZVVYMHZITSPC-CABCVRRESA-N 363.414 0.638 0 50 FCAA CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)n1 266143922 YZIQDQHTOKDNGL-NSHDSACASA-N 350.423 0.390 0 50 FCAA CCn1ccnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1=O 271366284 JVBMYNWROBUZOK-UHFFFAOYSA-N 358.464 0.140 0 50 FCAA CSCC[C@@H](O)C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 299762041 ZYLLYRDSFXBPEB-CQSZACIVSA-N 361.471 0.763 0 50 FCAA CS(=O)(=O)NCc1cc2n(n1)CCN(Cc1ccc(CCN)cc1)C2 299779075 RUKOOLGRFGDODV-UHFFFAOYSA-N 363.487 0.449 0 50 FCAA CN1CCN(C(=O)NCCN2CCOCC2(C)C)C[C@H]1c1nccn1C 369885711 BNAJHWYPPHDBID-HNNXBMFYSA-N 364.494 0.529 0 50 FCAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 372590782 WBHDJLMGIATLSJ-STQMWFEESA-N 359.386 0.107 0 50 FCAA CC(=O)N1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H](O)C1 426434076 LJJBXNPTIJACHE-IBGZPJMESA-N 374.485 0.886 0 50 FCAA CN(CCNc1cc([C@H]2CCOC2)ncn1)Cc1cnn2cccnc12 426707541 XHKILVRPBDUUMI-AWEZNQCLSA-N 353.430 1.567 0 50 FCAA Cc1c(Br)cc(C(=O)N[C@@]2(C(=O)O)CCOC2)c(=O)n1C 902061631 LDNINHHXUWHQBQ-ZDUSSCGKSA-N 359.176 0.430 0 50 FCAA Cn1cccc1C(=O)C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565508578 VNJLGDWIZYNTFS-KGLIPLIRSA-N 367.409 0.761 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1O 1613881775 GJTAUVWWSNTMAB-HIFRSBDPSA-N 352.456 0.429 0 50 FCAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCc2ncnn2C1 1857733608 QQRYDKYLBZQCHY-NSHDSACASA-N 368.353 0.936 0 50 FCAA NC(=O)C1CC2(C1)C[C@@H](NC(=O)NCCC(=O)N1CCCC1)CCS2 1875348096 XDVVACXLZKJJCF-JZLYGMAVSA-N 368.503 0.828 0 50 FCAA Cc1nnc(N[C@@H]2CCCC23CN(C(=O)[C@H]2CN(C)C(=O)N2)C3)nc1C 1875406847 NKQBBWUVNUQMBC-CHWSQXEVSA-N 359.434 0.305 0 50 FCAA C[C@@H]1C[C@H](NC(=O)C[C@H]2CCN(C)C2=O)CN1c1ncc2c(n1)COC2 1875407346 XPFXBPZWXUPTIT-BZPMIXESSA-N 359.430 0.459 0 50 FCAA O=C(NCCOCCO)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356152960 JWVSAEJQGSLINU-MUKKUYKPSA-N 359.426 0.443 0 50 FCAA COc1cc(SC)ccc1C(=O)NCCNC(=O)c1nonc1N 2463987 AVXDBNXFCQQHLE-UHFFFAOYSA-N 351.388 0.542 0 50 FCAA C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 18093627 YARWAUPLPZPURJ-SSDOTTSWSA-N 369.428 0.119 0 50 FCAA CCN1CCC(C(=O)N2CCc3c(c(C(=O)O)nn3CCO)C2)CC1 67489492 XKOSXWFARFHNJA-UHFFFAOYSA-N 350.419 0.190 0 50 FCAA COc1ncc(C(=O)NCc2cccnc2N2CCN(C(C)=O)CC2)cn1 67725214 XXMDGJYUGQVOKT-UHFFFAOYSA-N 370.413 0.479 0 50 FCAA O=C1NC(=O)C2(CC(C(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)N1 72447324 TWKFBKSBSCXBEV-UHFFFAOYSA-N 360.389 0.458 0 50 FCAA O=C(NC[C@H]1CCc2ccccc2O1)c1cnc(Cn2cncn2)nc1O 91690056 FTXITUSRAXPEAT-CYBMUJFWSA-N 366.381 0.946 0 50 FCAA COc1cc2c(cc1-c1cn(CCN(C)S(C)(=O)=O)nn1)OCCO2 91690812 WCOCRJHFHVZTBB-UHFFFAOYSA-N 368.415 0.616 0 50 FCAA O=C(c1ccc(-n2cnnc2)nc1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91997822 BCSCZULTWWIBGK-IAGOWNOFSA-N 370.457 0.829 0 50 FCAA CN(C)CCn1ccnc1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 92076929 QGJYMVPACRVQTC-UHFFFAOYSA-N 368.445 0.902 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)no2)CN1Cc1ncc[nH]1 95371027 GCHKKUTXRNOLEF-JSGCOSHPSA-N 372.429 0.784 0 50 FCAA CN1CCN(C[C@@H]2CN(C(=O)CCC(=O)c3ccccc3)C[C@@H]2CO)CC1 95372272 LTLWIEGDWCKZOR-RTBURBONSA-N 373.497 0.964 0 50 FCAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CN1C(=O)COc3cccnc31)C2 95524877 VPUWEHQTLNFPQS-UONOGXRCSA-N 372.425 0.666 0 50 FCAA COc1cc2c(cc1NC(=O)N(CCO)[C@H]1CCS(=O)(=O)C1)OCO2 96139851 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0 50 FCAA CCC[C@H]1CN(Cc2cncn2C)C[C@@H]1NC(=O)CCS(C)(=O)=O 91645716 GTSMXSIVTPMBFK-ZFWWWQNUSA-N 356.492 0.572 0 50 FCAA CC(=O)N1CCN(C(=O)CN2CCC(c3ccccc3)CC2)C[C@@H](O)C1 91914587 YYXDCKWDYDMFCC-IBGZPJMESA-N 359.470 0.918 0 50 FCAA CNC(=O)[C@H]1CCN(C(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)C1 95530548 OGQWJHYQBYYCFL-NSHDSACASA-N 369.447 0.505 0 50 FCAA Cc1nnnn1-c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 96133576 YLSLQSGBHBGPSW-UHFFFAOYSA-N 365.419 0.080 0 50 FCAA O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NC(=O)NCC(F)(F)F 109759246 CGCYJGPSDRXKLT-SVRRBLITSA-N 351.247 0.762 0 50 FCAA Cn1nnnc1SCCNC(=O)CCn1cnc2ccccc2c1=O 223151695 ZTZDMUPMEQVLTK-UHFFFAOYSA-N 359.415 0.219 0 50 FCAA CN1C[C@H](NC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C[C@H]1CO 244724346 MSIDHEHLLSAIMI-MNOVXSKESA-N 360.241 0.904 0 50 FCAA COC(=O)c1cn(Cc2ccc(S(N)(=O)=O)cc2)cc2c(=O)[nH]nc1-2 263587349 FZBDULATAOIXRQ-UHFFFAOYSA-N 362.367 0.159 0 50 FCAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1CN1CCOCC1 274692589 VLBFMHXZIJIRFF-HNNXBMFYSA-N 361.442 0.748 0 50 FCAA COc1ccnc(N2CCN(C(=O)c3n[nH]c4c3CN(C)CC4)CC2)n1 299759146 PJXIXDDEJWEZPS-UHFFFAOYSA-N 357.418 0.159 0 50 FCAA O=C([C@H]1CNCCO1)N1CCN(c2nccc(-c3ccccc3)n2)CC1 299799626 UUARQMQSXKCFDL-QGZVFWFLSA-N 353.426 0.781 0 50 FCAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cn1ncn(C)c1=O 328614562 AJVJWFFKMQNQID-SNVBAGLBSA-N 372.351 0.518 0 50 FCAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ccc(=O)n(C)n2)on1 329930006 OCFCXQJFVNTUBK-STQMWFEESA-N 363.393 0.761 0 50 FCAA C[C@H](NC(=N)O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 330674554 ZNARMCAQZVSYJN-HZSPNIEDSA-N 353.467 0.296 0 50 FCAA Cc1nn(CCNC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)c(C)c1Cl 426440197 AIAMOKSVMIEDIZ-NSHDSACASA-N 352.826 0.427 0 50 FCAA Nc1nc(=NCCc2ccc(S(N)(=O)=O)cc2)cc([C@@H]2CCOC2)[nH]1 426477199 JZNXMAJOEPCCTA-GFCCVEGCSA-N 363.443 0.287 0 50 FCAA CNc1cc(N2CCC[C@H]2CNC(=O)NCCNc2cnccn2)ncn1 465737774 OFOREFDIURQWIS-ZDUSSCGKSA-N 371.449 0.688 0 50 FCAA CN1CCC2(CC1)CN(C(=O)NC[C@H](CO)Cc1ccco1)CCN2C 670439702 HKCNINXTEFPKON-MRXNPFEDSA-N 364.490 0.852 0 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Cc1cc(C)n(CCc2n[nH]c(=NC(=O)c3nc4ncccn4n3)s2)n1 2356136024 DDEVZPQPGMIYEQ-UHFFFAOYSA-N 369.414 0.706 0 50 FCAA COc1ccc(Cl)cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O 824547 VUZXZWJOVSYDBY-UHFFFAOYSA-N 362.835 0.973 0 50 FCAA CS(=O)(=O)n1cccc1C(=O)CCC(=O)c1cccn1S(C)(=O)=O 2519470 JDKAJGWFNMTJBL-UHFFFAOYSA-N 372.424 0.751 0 50 FCAA CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)OC 4763844 HDCFZVUKHWLREV-SNPRPXQTSA-N 366.414 0.978 0 50 FCAA CN(CC[C@H](O)c1ccccc1)C(=O)Cn1nnnc1CN1CCCC1 12579319 SLUWSQKZYAEPAG-INIZCTEOSA-N 358.446 0.851 0 50 FCAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CNC[C@@H](CN2CCOCC2)C1 14538625 VSLJIEZGUOYUIA-JKSUJKDBSA-N 361.442 0.589 0 50 FCAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1 23340344 MYMDSRDDVPJKFL-CQSZACIVSA-N 368.455 0.959 0 50 FCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)C1CCOCC1)C2 67790438 JVLGNMMYCIWMMS-UHFFFAOYSA-N 369.425 0.977 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(-c2cnco2)s1 67790597 ZZNHQRYVABBBSK-BDAKNGLRSA-N 356.429 0.239 0 50 FCAA CCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)o1 72151597 IGDBFEJPBVBGGZ-OAHLLOKOSA-N 374.445 0.596 0 50 FCAA CC(C)(O)CCc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 72473146 KLOKZQULRFCMTH-ROUUACIJSA-N 362.470 0.908 0 50 FCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3cnn4cccnc34)CC[C@H]21 72480117 NECWODJKTDVVIE-DZGCQCFKSA-N 356.430 0.402 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nccs2)[C@@H]3C1=O 77375178 DYJJAEADKSWMOQ-VYHVBIQSSA-N 363.439 0.530 0 50 FCAA Cc1ccccc1N1C[C@H](C)N(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1=O 77470654 LBNTZIFCFQRKLA-AWEZNQCLSA-N 370.409 0.417 0 50 FCAA Cc1ncc(CN2CCC(c3nnc(CN(C)CCO)n3C)CC2)cn1 77516229 RXXSVFCFPXJOEF-UHFFFAOYSA-N 359.478 0.717 0 50 FCAA C[C@@]1(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)CCCNC1 82099880 YVYYCQTVZFLRBF-MRXNPFEDSA-N 369.491 0.054 0 50 FCAA CCN1CCc2nc[nH]c2C12CCN(C(=O)Cn1cccnc1=O)CC2 91745940 JBWMVRLHDKQRIW-UHFFFAOYSA-N 356.430 0.362 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CN1Cc1cccc(C)n1 91950588 HPOPQTPEZGSQQI-GJZGRUSLSA-N 356.430 0.622 0 50 FCAA O=C1NC(=O)[C@@H](CCC(=O)N(Cc2ccncc2)Cc2ccncc2)N1 91986063 XADIVAYMIBOUPT-OAHLLOKOSA-N 353.382 0.994 0 50 FCAA O=C(Cn1cnnn1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95517948 DQZRSLKOONERLB-HNNXBMFYSA-N 352.402 0.719 0 50 FCAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCc2c(c(C(N)=O)nn2C)C1 252483884 FKPBWDKLGYKLLF-GFCCVEGCSA-N 353.426 0.855 0 50 FCAA O=C(O)C[C@@H]1CN(C(=O)CCn2c(O)nc(=O)c3ccccc32)CCO1 262839280 SZOIUWHXSFDQIU-LLVKDONJSA-N 361.354 0.194 0 50 FCAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1cn(CC(=O)N(C)C)nn1 281982729 ZHUVVGPVGMGZCN-CQSZACIVSA-N 359.434 0.950 0 50 FCAA COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)[C@H](C)CO)C2)cc1 297912228 IPHOHBZXDXFHKI-LLVKDONJSA-N 357.432 0.090 0 50 FCAA Cc1nc(CNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)nc2c1CCCC2 299759354 GKYMZWXJHYKNSG-REGYPHIPSA-N 368.437 0.692 0 50 FCAA Cc1cnn(CC(=O)N2CCOC[C@H]2c2ncn(CC(F)(F)F)n2)c1 329090153 WHOFOWVPBPQMNR-NSHDSACASA-N 358.324 0.945 0 50 FCAA CC1(C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@@H]1[C@@H]1CCCO1 329421750 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NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 174496950 KDTATKQJYWJVDT-INIZCTEOSA-N 366.487 0.389 0 50 FCAA O=C(NCc1nnc2n1CCCCC2)N1CCN(C[C@@H]2CCOC2)CC1 175603380 GUVKBECQMUWSNZ-HNNXBMFYSA-N 362.478 0.868 0 50 FCAA CCN1CCCN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1=O 188093944 FEHVYFNOBPWOSP-UHFFFAOYSA-N 359.434 0.337 0 50 FCAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)Cc3ccc(CO)cc3)CC[C@@H]21 216834508 VOQJHJVRFHQXQR-MSOLQXFVSA-N 359.470 0.780 0 50 FCAA O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)c1cccc2c1OCCO2 221258563 FIEIBFAEWYTDAS-UHFFFAOYSA-N 367.361 0.891 0 50 FCAA O=C(CN1CCOCC1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 221350349 VVURXFFEYWTNAT-LJQANCHMSA-N 356.426 0.639 0 50 FCAA NC(=O)c1ccnc(N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)c1 244724356 MSMDSXYONLTCKY-HZSPNIEDSA-N 354.414 0.900 0 50 FCAA COc1ccccc1N1CC[C@H](NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 268441351 KKNMFDPIFWJXAO-ZENOOKHLSA-N 362.430 0.606 0 50 FCAA CCS(=O)(=O)CCNC(=O)C1CCN(C(=O)c2ccccn2)CC1 299763835 FGSFZGVHXSUVRD-UHFFFAOYSA-N 353.444 0.485 0 50 FCAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cn(C)nc1[C@H]1CCCNC1 333549812 JHFDJLFJSDRAEY-UPJWGTAASA-N 354.476 0.535 0 50 FCAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 670462239 PMXXGLAERFCUFA-LLVKDONJSA-N 372.424 0.816 0 50 FCAA CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)NCCNc2cnccn2)C1 952888351 QBCADCWKDSICSP-CQSZACIVSA-N 359.434 0.273 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)C[C@H]1O 1529112461 LMQCRHUVCBONMB-GXFFZTMASA-N 352.378 0.788 0 50 FCAA Cc1nc(CN(C)C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)no1 1529138437 ALJFFNXAKAHMAH-SJORKVTESA-N 371.397 0.863 0 50 FCAA CN(C)CCc1nnc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)s1 1529152605 MZRHWNIVNSSVFT-CYBMUJFWSA-N 358.431 0.857 0 50 FCAA COc1ccc(CC(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)c(OC)c1 1565527779 FYLZTRWKSDJLLV-ZFWWWQNUSA-N 353.371 0.621 0 50 FCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(N)=O)c(Cl)c1)C2 1704331310 LTQNQKRXTMQHCM-OLZOCXBDSA-N 367.833 0.493 0 50 FCAA O=C1C[C@@H](C(=O)N2CCCN(C(=O)Cn3ccc4ccccc43)CC2)CN1 1704338150 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CCC(CC)C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12 6397117 WHTOPMSWCVEVDT-IAQYHMDHSA-N 370.427 0.724 0 50 FCAA Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14732923 FYJVLWURBQIRFH-SCRDCRAPSA-N 373.457 0.422 0 50 FCAA Cc1cccc(CN2CCC[C@](O)(CNCCN3CCNCC3)C2=O)c1 67432316 NTQDQVDSZGHIAP-FQEVSTJZSA-N 360.502 0.343 0 50 FCAA COCCN1CCC[C@](O)(CN2CCN(c3ccncc3C)CC2)C1=O 67605583 LKYUTVLNYNDBMO-IBGZPJMESA-N 362.474 0.512 0 50 FCAA CN(C(=O)Cn1nnnc1N)[C@H]1CCCN(CCCc2ccccc2)C1 72152783 GPBFQXPJCVEWOK-INIZCTEOSA-N 357.462 0.811 0 50 FCAA O=C(CN1CC2(CCNCC2)C[C@H]1C(=O)O)NCc1ccc(C(=O)O)o1 72171130 UVVHORUNZKWLSW-LBPRGKRZSA-N 365.386 0.123 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2ncc[nH]2)CC1 72433406 CXRRKNIVAPKOCT-UHFFFAOYSA-N 355.446 0.728 0 50 FCAA O=C(CCn1cnnc1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82108256 NWBBPCNMSURMQG-UHFFFAOYSA-N 371.445 0.714 0 50 FCAA O=C(O)[C@H]1CC2(CCN(C(=O)CC3CCS(=O)(=O)CC3)CC2)CN1 91691223 RZFTYKOOYHQJCQ-CYBMUJFWSA-N 358.460 0.257 0 50 FCAA O=C(O)CCN1CCN(Cc2cc(F)cc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 91694552 IBQKYSQPZOOQPO-CABCVRRESA-N 374.409 0.723 0 50 FCAA O=C1NCCN(C(=O)c2cnc3ccccn3c2=O)[C@H]1Cc1ccccc1 97529008 DJIPQNVRHYCZNX-INIZCTEOSA-N 362.389 0.878 0 50 FCAA CC(C)(O)CCc1cccc(C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c1 219927194 ODVDMPINBQDJTN-CVEARBPZSA-N 366.483 0.601 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc2c(c1)OCO2 222399560 HGLMWFWFJGRFLW-CZUORRHYSA-N 364.398 0.336 0 50 FCAA Cc1ccc(Br)c(S(=O)(=O)NCCc2nc(=O)o[nH]2)c1 225390861 DKNDVRPQKNWOLH-UHFFFAOYSA-N 362.205 0.955 0 50 FCAA COc1ccccc1N1CCN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)CC1 239038748 DVRGCYXXWBWGPY-QBPKDAKJSA-N 358.394 0.998 0 50 FCAA COc1ccccc1NC(=O)CN1CCC2(CC1)C(=O)NCCCN2C 244899417 ZJLNKYBLGMOFRL-UHFFFAOYSA-N 360.458 0.920 0 50 FCAA CN(C(=O)NCCN1C(=O)CNC1=O)[C@@H]1CCCN(Cc2ccccc2)C1 266831096 CSHWWLRAKPPRES-MRXNPFEDSA-N 373.457 0.844 0 50 FCAA NS(=O)(=O)C[C@H]1CCN(C(=O)CCc2nc3ccccc3nc2O)C1 299784362 LSAYXLXAQFREAH-NSHDSACASA-N 364.427 0.405 0 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COCn1nc(C)c(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)c1C 330227170 UURYYKVDUREEAQ-AWEZNQCLSA-N 358.464 0.245 0 50 FCAA Cc1noc(CCNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 333055407 RFOYJZLTZPYPDL-LBPRGKRZSA-N 357.436 0.130 0 50 FCAA C[C@H](C(=O)N1CC[C@H](N2CCCC2)C1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 363173345 BZQJALGTYCLTKW-JXEZDRHFSA-N 361.442 0.234 0 50 FCAA CN(Cc1nc(-c2ccncc2)no1)C(=O)N[C@H]1CCS(=O)(=O)C1 426627659 JDAGIPDGFKEJHX-NSHDSACASA-N 351.388 0.460 0 50 FCAA O=C(Cc1n[nH]c2ccccc12)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886097250 WLXCTACUQYVSGY-SFHVURJKSA-N 358.398 0.493 0 50 FCAA COC[C@@H]1[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)[C@H]2CCO[C@@H]12 1074611670 HPQSBLALQWHBGP-KLHDSHLOSA-N 354.428 0.973 0 50 FCAA CN1CCCN(CC(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)CC1 1565508897 CZVSGKXOJWTRSA-HOTGVXAUSA-N 368.503 0.571 0 50 FCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 1565529541 QLFWJPABRAGYQH-IRXDYDNUSA-N 372.425 0.864 0 50 FCAA CNC(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)c1 1565529567 NRKBXPLXDBPBTR-XGUBFFRZSA-N 353.444 0.042 0 50 FCAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cn3cc(C)c(O)nc3=O)C1)CC2 1704297766 WIKFPKMQMJAZAI-IBGZPJMESA-N 369.425 0.862 0 50 FCAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@@H](O)CO)ccc1F 1704308317 HJMUNRXNONCLSH-SNVBAGLBSA-N 353.350 0.638 0 50 FCAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H](N)CO)CC1)OCC2 1704345041 UKJLZRVAEPUQHO-CQSZACIVSA-N 350.415 0.414 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C2(O)CC2)ccc1OC 1772810365 KZEKUGWWYPTRLV-CQSZACIVSA-N 354.428 0.733 0 50 FCAA CCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1ncn2C[C@@H](O)CO 1875269142 ISWFXEMQBBRZCV-CYBMUJFWSA-N 371.397 0.935 0 50 FCAA O=C(O)[C@H](CCc1cn(Cc2cccs2)nn1)NC(=O)[C@@H]1CCOC1 1875324537 CCPNRFNVMNBMKG-RISCZKNCSA-N 364.427 0.926 0 50 FCAA CN(C[C@H]1CCN(C(=O)c2cc(CO)[nH]n2)C1)c1ncnc2[nH]ccc12 1875339638 RIPBMOFMTWRDGZ-LLVKDONJSA-N 355.402 0.772 0 50 FCAA Cc1nc(N(C)C)sc1C(=O)NCCCNC(=O)[C@H]1COC(=O)O1 1875345683 FSZOVLHAGGYMQN-SECBINFHSA-N 356.404 0.289 0 50 FCAA C[C@@]1(NC(=O)CCn2ccnn2)CCN(C(=O)c2ccc3nn[nH]c3c2)C1 1875361281 RGRGPMZSVJJCGM-QGZVFWFLSA-N 368.401 0.361 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)N=c2ccn([C@H]3CCNC3=O)[nH]2)cc1 1875373848 QTXOHIGHLOGPGO-AWEZNQCLSA-N 353.382 0.767 0 50 FCAA CO[C@@H](C)c1nc(Cl)cc(N2CCO[C@H](CN(C)C(=O)CO)C2)n1 2325867991 KZKABIRYSMNDFZ-WDEREUQCSA-N 358.826 0.493 0 50 FCAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 19597005 PCZMDRVHMOCOJG-INIZCTEOSA-N 373.434 0.798 0 50 FCAA COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCN(C)CC1)S(C)(=O)=O 65363900 VADMKGJGUCSLQA-AWEZNQCLSA-N 369.487 0.932 0 50 FCAA CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCN(c2nc(C)ncc2C)CC1 65435332 UALIMDDMLGXZJG-UHFFFAOYSA-N 360.418 0.609 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 67692408 UFDQUEWKYIVAQU-PWSUYJOCSA-N 365.377 0.932 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)c3cnc(N)nc3C)cc2C1=O 71746529 RVUXUYOQUOBALQ-UHFFFAOYSA-N 356.386 0.677 0 50 FCAA O=C(c1cnn[nH]1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 72156286 OYJHRIVJJSCOGL-UHFFFAOYSA-N 351.370 0.517 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H](COc2ccccc2F)C1 72407481 KFYLNGCRBBYBAA-CYBMUJFWSA-N 361.373 0.993 0 50 FCAA CN(C)C[C@@H]1CCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)C[C@H]1O 72454457 KEEQPYCPAVOIBV-XJKSGUPXSA-N 357.414 0.986 0 50 FCAA Cc1cc(-c2cn3cc(C(=O)NCc4nnn[nH]4)nc3c(=O)n2C)c(C)o1 72463428 VASUUWYKEOYLOX-UHFFFAOYSA-N 368.357 0.353 0 50 FCAA O=C(O)CN1CCN(C/C=C/c2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77287194 MRGYJQMYXFBEAZ-WJGOZPTBSA-N 368.430 0.707 0 50 FCAA O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@](O)(CN2CCCC2)C1 77539440 CPZKMVAAICRGKG-IBGZPJMESA-N 362.426 0.644 0 50 FCAA COCCN1CC2(CCC1=O)CCN(Cc1nc(C(N)=O)no1)CC2 91526195 TVPPRTXDFBXDLA-UHFFFAOYSA-N 351.407 0.020 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccncc1)CC2 91563242 UYALWIIMVMDGAA-UHFFFAOYSA-N 369.425 0.967 0 50 FCAA CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)Cn2ccnc2)CC3)C1 91725667 FHAFZZDZZJYSEJ-INIZCTEOSA-N 359.474 0.818 0 50 FCAA CCC[C@@H]1CN(C(=O)CSc2nc(C)cc(=O)[nH]2)C[C@H]1NC(C)=O 95507977 QJFOQCKLPRAAIX-CHWSQXEVSA-N 352.460 0.934 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2)CN1Cc1cccnc1N 95518525 LUJYJOWWGRUDKH-ZBFHGGJFSA-N 369.425 0.488 0 50 FCAA CN(C)C(=O)CC[C@@H]1CCCN(c2cc(N)nc(N3CCOCC3)n2)C1 96141885 FHOLDNVTRYZGAL-AWEZNQCLSA-N 362.478 0.980 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(CCc3ccc(O)cc3)C[C@@]2(C(=O)O)C1 96148250 JTRXPRMUNDYDJW-CZUORRHYSA-N 354.428 0.213 0 50 FCAA COC(=O)c1cc(S(=O)(=O)N2CC(n3nc(C)nc3C)C2)c(C)o1 225829396 AOBGVNIEVNXYDV-UHFFFAOYSA-N 354.388 0.829 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCCNC2)cc1 244840203 UIMONCDMQYQKHK-INIZCTEOSA-N 355.460 0.219 0 50 FCAA Cc1ccccc1OCCCN(C)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 244873619 WTALNVQFASTBAX-AWEZNQCLSA-N 372.425 0.837 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1noc(-c3ccco3)n1)C2 252483635 FGEZZJJSAOXOSI-QWHCGFSZSA-N 373.413 0.841 0 50 FCAA NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 264718178 GDQJWOKERSGTNC-GWCFXTLKSA-N 369.418 0.779 0 50 FCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)n1 328612532 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O=C(O)C[C@@H](Cc1cn(Cc2cccs2)nn1)NC(=O)[C@H]1CCOC1 1875324688 IYMVXZNTKZBFNM-NWDGAFQWSA-N 364.427 0.926 0 50 FCAA COCCN(CCCN(C)C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 2325744752 OLZDABZZVWEWBX-HNNXBMFYSA-N 370.475 0.143 0 50 FCAA Cc1nscc1C(=O)N[C@@H]1CCN(C(=O)c2cc(F)n[nH]2)C[C@H]1O 2325877164 LAIOWDWPBFTKEW-MWLCHTKSSA-N 353.379 0.319 0 50 FCAA CC1(C(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CC1 2325887124 VOGQOWLHCPISPK-CQSZACIVSA-N 355.394 0.864 0 50 FCAA CCC[C@]1(C(=O)O)CCN(c2nccc(N3CCC(O)CC3)n2)C[C@@H]1O 2356155997 QYRVQQDENLXFBU-KSSFIOAISA-N 364.446 0.880 0 50 FCAA CCN1CCN(c2nc(CSc3nnc(N)s3)cc(=O)[nH]2)CC1 9095238 NUKKECNRJBKWPY-UHFFFAOYSA-N 353.477 0.638 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCN(CCOc2ccccc2)CC1 42723081 YHDWGNNHLHZQQX-UHFFFAOYSA-N 355.460 0.149 0 50 FCAA O=C1CCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CCN1 67818912 LGPRBRUSASRCME-GOSISDBHSA-N 367.396 0.640 0 50 FCAA O=C(Cn1nc(C2CCNCC2)n(-c2ccccc2)c1=O)N1CCOCC1 71278508 YSQZUGMXVOJSBN-UHFFFAOYSA-N 371.441 0.360 0 50 FCAA CCCN1CCN(C(=O)c2sc(N)nc2CC)[C@H]2CS(=O)(=O)C[C@H]21 72428178 MHKFYJYRYVVCDX-NEPJUHHUSA-N 372.516 0.621 0 50 FCAA CS(=O)(=O)N1CCN(CCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72456555 QCSRIDBIRDMPIY-JKSUJKDBSA-N 372.512 0.362 0 50 FCAA CN(C)C(=O)c1cccnc1N1CC[C@@H]2[C@@H](CCC(=O)N2CCCN)C1 72476263 ARHOCWFCEIRCSW-GOEBONIOSA-N 359.474 0.950 0 50 FCAA COC[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1ccnn1C 91644229 HUYZRVVSHJXQMK-ZDUSSCGKSA-N 357.370 0.594 0 50 FCAA COCCN1CCC[C@@]2(CCN(S(=O)(=O)c3c(C)noc3C)C2)C1=O 95370134 FZHLBMQCSYEOLC-INIZCTEOSA-N 371.459 0.941 0 50 FCAA O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1coc(CC2CC2)n1 170610640 LRUAMORHNYSAQS-CQSZACIVSA-N 362.430 0.290 0 50 FCAA CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCNC1 179068857 MFNLBRIPTIZWDQ-LLVKDONJSA-N 365.231 0.979 0 50 FCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2cccc(F)c2F)[C@@H]3C1=O 215818798 KTQWZYVSIFBISU-FLTUCWPJSA-N 365.380 0.546 0 50 FCAA Cc1nc2ccc(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)cc2s1 215875076 FNPONECNFYUCHK-LBPRGKRZSA-N 369.468 0.995 0 50 FCAA O=C([C@@H](c1ccccc1)n1cnnn1)N1CCCN(c2ncccn2)CC1 219499267 FIPKKTIAFCGKOG-MRXNPFEDSA-N 364.413 0.791 0 50 FCAA O=C(Cn1cccnc1=O)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 244691533 JENUVVPMCBTBQP-OKILXGFUSA-N 354.414 0.696 0 50 FCAA C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 245328666 WCKBTDOWSCYDFM-HCRBBAAJSA-N 357.410 0.586 0 50 FCAA COc1ccc(C)cc1N1C[C@H](C(=O)N2CCO[C@@H](C(=O)O)C2)CC1=O 262928259 GAKRKKVNXODBLT-IUODEOHRSA-N 362.382 0.669 0 50 FCAA O=C(N[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 263585857 NGUJOKJTVRDRLD-XQQFMLRXSA-N 351.428 0.164 0 50 FCAA biogenic O=C(O)[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 268975973 KBZVJACYFMPDMX-JTQLQIEISA-N 367.301 0.906 0 50 FCAA O=C1NCCc2ccc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc21 275371265 XJRUMYORCRMMCR-LBPRGKRZSA-N 360.439 0.710 0 50 FCAA CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)O)CC1=O 299751013 PDKJAAHKWIMKKF-SOUVJXGZSA-N 353.463 0.935 0 50 FCAA COc1ccsc1S(=O)(=O)N[C@H]1CCCN(c2ccnn2C)C1=O 328613400 RYQDDPKUIFHKOB-JTQLQIEISA-N 370.456 0.964 0 50 FCAA CN(C[C@@H]1CCCN(C(=O)c2ccnc3c2ncn3C)C1)S(C)(=O)=O 329250327 XNUREBLJCAEZNF-LBPRGKRZSA-N 365.459 0.712 0 50 FCAA CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 363745327 DLYKZHXMZNVIIE-MRXNPFEDSA-N 358.446 0.865 0 50 FCAA CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)O1 408107330 WRRCVPIRSFXPDN-QWRGUYRKSA-N 367.368 0.721 0 50 FCAA Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 408398167 WGUWLOTWHJRMPZ-MLMJSJRWSA-N 362.473 0.679 0 50 FCAA COCCc1noc(CNC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)n1 584890627 FIJFLWKYDKNJBD-NSHDSACASA-N 360.436 0.225 0 50 FCAA CN1C(=O)CC[C@H](C(=O)Nc2nc3n(n2)CCCC3)[C@H]1c1ccnn1C 886077776 POJIWIHIYATHPA-NHYWBVRUSA-N 357.418 0.896 0 50 FCAA Cc1n[nH]cc1CN(C)S(=O)(=O)c1ccc2nc(O)n(C)c(=O)c2c1 952869545 UWPCBRGJNLCBJN-UHFFFAOYSA-N 363.399 0.491 0 50 FCAA C[C@H]1CN(C2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)C[C@@H](C)O1 952966434 VBKDGYVAULMCHL-SCRDCRAPSA-N 352.435 0.075 0 50 FCAA Cn1nc2c(c1C(=O)N1C[C@@H](CC(=O)O)[C@@H](c3cnn[nH]3)C1)CCCC2 1076115369 XLBJWSHCSDYIEQ-PWSUYJOCSA-N 358.402 0.748 0 50 FCAA O=C1CN(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)C(=O)N1 1565512335 WVJWOSUJRDGJJN-HIFRSBDPSA-N 370.409 0.301 0 50 FCAA O=C(c1c[nH]nc1-n1cnnn1)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565515198 IUEMHLTYBUUURR-OCCSQVGLSA-N 372.433 0.101 0 50 FCAA O=S(=O)(N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1)N1CCCC1 1565526540 RGOUNBGVQFXZDY-HOTGVXAUSA-N 356.444 0.645 0 50 FCAA Cc1nccn1CCC(=O)N1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 1565529856 VZBVOPNRLBFCDK-IRXDYDNUSA-N 356.426 0.973 0 50 FCAA NC(=O)Cc1nc(-c2ccc(N3CCOCC3)nc2)n(-c2ccccn2)n1 1857679827 XDEGSMKCZQWONU-UHFFFAOYSA-N 365.397 0.589 0 50 FCAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cnc2n1CCOC2 1875401533 KSUBIFVNZMZDBE-RISCZKNCSA-N 358.402 0.861 0 50 FCAA C[C@@H](C(=O)N1CC[C@@H](NC(=O)Cc2nccn2C)C[C@H]1C)n1ccnc1 1875407340 XNAVQNYPMZGHOP-QLFBSQMISA-N 358.446 0.916 0 50 FCAA O=C(NCCCc1nc(O)n[nH]1)Nc1cccc(Cn2cccnc2=O)c1 2325742297 DOUDPWXEZSJGAG-UHFFFAOYSA-N 369.385 0.870 0 50 FCAA CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc([C@@H]3CC3(F)F)cc2)C[C@H]1O 2325785806 OGEGYOPHZOWXST-KWCYVHTRSA-N 374.409 0.927 0 50 FCAA CNC(=O)c1cc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)cc(C(=O)NC)c1 2325873001 UYDMJQVOWNBSST-SNVBAGLBSA-N 369.443 0.556 0 50 FCAA CC(C)CCC(=O)N1CCN(C(=O)c2ncc3[nH]ncc3n2)C[C@@H](O)C1 2325877010 HKTAKPWJPKFDOH-LBPRGKRZSA-N 360.418 0.434 0 50 FCAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC(N2CC(O)C2)CC1 2356166044 UQKNVSDWURPBNT-UHFFFAOYSA-N 366.487 0.569 0 50 FCAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CCc2[nH]nc(-c3ccccc3)c2C1 2356166099 OHPZINNQQRZENE-UHFFFAOYSA-N 361.369 0.974 0 50 FCAA O=C(CN1CCOC1=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356166156 WCTNTJYHRQKMMC-UHFFFAOYSA-N 355.398 0.706 0 50 FCAA CN(C)S(=O)(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(F)cc1 19339828 XXWBVKMWOQZLHO-UONOGXRCSA-N 357.407 0.680 0 50 FCAA O=C(Cn1nnc(-c2ccccc2Cl)n1)NCCCN1CCOCC1 19368459 STUYGJCMJBSFGW-UHFFFAOYSA-N 364.837 0.832 0 50 FCAA O=S(=O)(C[C@@H](CN1CCOCC1)N1CCOCC1)c1ccccc1 19868891 MWJFXHDCFAQLLN-MRXNPFEDSA-N 354.472 0.493 0 50 FCAA CC(CO)(CO)NC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 67740909 QGSHTCAWJSGOBX-KRWDZBQOSA-N 358.385 0.151 0 50 FCAA O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCO[C@@]2(CNCCOC2)C1 72166142 BMZFGLNKQCSDQV-SFHVURJKSA-N 358.398 0.613 0 50 FCAA O=C(C1CCC1)N1CCN(C(=O)c2cscn2)[C@H]2CS(=O)(=O)C[C@H]21 72423798 UIXOBVKMGJERAY-OLZOCXBDSA-N 369.468 0.393 0 50 FCAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc4nonc4c3)cc2C1 82134512 YHKNPHUDTVACHP-UHFFFAOYSA-N 369.385 0.847 0 50 FCAA Cc1nc(CCNC(=O)Cn2nc(C)c3ccccc3c2=O)cc(=O)[nH]1 91526690 NWZXQWMLOTWISV-UHFFFAOYSA-N 353.382 0.456 0 50 FCAA Cn1c(Cn2ccnc2)nnc1C1CCN(S(=O)(=O)C2CC2)CC1 91656963 SRNOFVFGNPFLFW-UHFFFAOYSA-N 350.448 0.732 0 50 FCAA CS(=O)(=O)CC[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)O 95392292 YMQFAIJAMKOSOK-NSHDSACASA-N 352.368 0.959 0 50 FCAA CCC[C@@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@H]1NS(C)(=O)=O 95520608 VGMYRNHEEOSCFE-IUODEOHRSA-N 365.459 0.608 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(CCCOc3ccccc3)C[C@@]2(C(=O)O)C1 96151340 IRUZGYXQZFKKGO-RHSMWYFYSA-N 368.455 0.734 0 50 FCAA C[C@@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(Cl)s1 176114480 YZPGKAMRLBRYEU-SNVBAGLBSA-N 368.850 0.863 0 50 FCAA CN1CCC(CNC(=O)NC[C@]2(O)CCOC2)(N2CCCCC2)CC1 179607389 IDOCMCSBNFSCKL-GOSISDBHSA-N 354.495 0.387 0 50 FCAA CS(=O)(=O)NCCC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 252483964 FLLJVTBJDLZZMK-SNVBAGLBSA-N 359.835 0.501 0 50 FCAA NC(=O)N[C@@H](CO)C(=O)N1CCN(c2cccc(Br)c2)CC1 285691143 KOVCSWUAOSHNOC-LBPRGKRZSA-N 371.235 0.127 0 50 FCAA O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 298837863 DESSDMCBJCKWQM-CYBMUJFWSA-N 355.398 0.783 0 50 FCAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1 299796922 QEZQPMJCLPAEDV-ZDUSSCGKSA-N 351.451 0.124 0 50 FCAA Cn1ccnc(N2CCC[C@@H](NC(=O)c3cccc4nccn34)C2)c1=O 328628281 HDDGJCHUMGBKNK-CYBMUJFWSA-N 352.398 0.827 0 50 FCAA O=S1(=O)CCCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 377757657 AHLSAEJXDAKGTO-AWEZNQCLSA-N 357.428 0.413 0 50 FCAA CC1(C)CC(N=c2cc([C@H]3CCOC3)[nH]c(=NCCO)[nH]2)CC(C)(C)N1 426701341 CHLMPIDTJCNGOD-ZDUSSCGKSA-N 363.506 0.950 0 50 FCAA COCCC1(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)CCCC1 886097025 RVABAMXUBROMDP-GOSISDBHSA-N 354.447 0.971 0 50 FCAA NC(=O)C[C@@H]1CCCCN1c1ncnc2c1ncn2C[C@]1(O)CCOC1 888097390 HUMVGJLIRJPVKP-YVEFUNNKSA-N 360.418 0.212 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)C1 952972918 QIVMOJGSLSJLTC-MRXNPFEDSA-N 360.458 0.655 0 50 FCAA CCc1cc(=O)n2[nH]c(NC(=O)Cc3ccc4c(c3)NC(=O)C4)nc2n1 1438072274 PAUTVKDGOVJWSZ-UHFFFAOYSA-N 352.354 0.656 0 50 FCAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1c[nH]nc1-n1cnnn1 1506403568 SUDMBBIDNYQLBK-OAHLLOKOSA-N 367.417 0.737 0 50 FCAA Cn1ccnc1SCC(=O)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565529650 WONOCKOHFKSBOS-GJZGRUSLSA-N 374.466 0.904 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2nc3c(s2)CCCC3)C[C@@H]1O 1615936478 DTDKIWJFICJCCG-YPMHNXCESA-N 359.517 0.706 0 50 FCAA CN(C)C(=O)N1CCC(C(=O)N2C[C@H](Cc3ccncc3)[C@@H](O)C2)CC1 1615958473 UVXADBOIYITOKD-IRXDYDNUSA-N 360.458 0.837 0 50 FCAA Cc1ccc(CC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1C 1616077221 NBSBJKXLXLYLND-CVEARBPZSA-N 354.472 0.557 0 50 FCAA O=C(c1cnc(-c2ccccn2)nc1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704353033 JAELHBOAZLAXMS-CALCHBBNSA-N 354.322 0.540 0 50 FCAA CN1CCN(C(=O)c2ccc3c(=O)n(C)cnc3c2)CC12CCOCC2 1775980093 UABLWJMIQVWYJX-UHFFFAOYSA-N 356.426 0.870 0 50 FCAA O=S1(=O)CC[C@H](CCS(=O)(=O)N2CCN(c3ccccc3)CC2)C1 1857684109 ZIGZBWQMDFMCQX-OAHLLOKOSA-N 372.512 0.963 0 50 FCAA CN1C(=O)[C@H]2COC[C@@H]1CN(CC(=O)NCCc1ccc(Cl)cc1)C2 1875247823 PVRGJXFBFJZJJI-ZBFHGGJFSA-N 365.861 0.788 0 50 FCAA NS(=O)(=O)[C@H]1CCN(c2nnnn2CCSc2ccccc2)C1 1875321334 DWITVIQBWZJBHC-LBPRGKRZSA-N 354.461 0.333 0 50 FCAA C[C@@H]1C[C@H](C(=O)N2CCCC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)CO1 1875331286 CMBHOQWHMXVDHG-BARDWOONSA-N 351.447 0.577 0 50 FCAA Cc1cccn2cc(C(=O)N3CCN(C(=O)C4(CO)COC4)CC3)cc12 1875360984 ONRMJVIQIJHWPM-UHFFFAOYSA-N 357.410 0.541 0 50 FCAA CC(C)CN(C(=O)CNC1(CN)CCCCC1)[C@@H]1CCS(=O)(=O)C1 2325805099 PCCODZIRSYWNDZ-OAHLLOKOSA-N 359.536 0.909 0 50 FCAA Cc1cnc(Cl)nc1N1CCO[C@H](CNC(=O)COC(F)F)C1 2325866938 FHPYYFCTFYKGEY-SECBINFHSA-N 350.753 0.999 0 50 FCAA Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OCC(N)=O 1109918 YILKWNDXXBARJQ-SNVBAGLBSA-N 362.835 0.970 0 50 FCAA COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C)C2=O)cc1OC 2863512 NPOLPCBKVBVYCU-ZDUSSCGKSA-N 361.276 0.874 0 50 FCAA O=C1[C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCN2C(=O)[C@@H]2CCCN12 14533462 NHMGELNJTQENME-ZWKOTPCHSA-N 365.437 0.890 0 50 FCAA CC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 23114623 XNDDWBUUYPDBSR-ZDUSSCGKSA-N 355.398 0.701 0 50 FCAA COc1ccc(C2(C(=O)N3CCN4C(=O)CN(C)C(=O)[C@@H]4C3)CC2)cc1 65435163 BKXYPXFLHUKUEH-HNNXBMFYSA-N 357.410 0.238 0 50 FCAA C[C@@]1(C2CCNCC2)NC(=O)N(Cc2nc(-c3cccnc3)no2)C1=O 67820692 LICYSKQQQVVSQP-KRWDZBQOSA-N 356.386 0.942 0 50 FCAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NC(C)(CO)CO)C1 71523682 VZRZLOZGTJGTAG-UHFFFAOYSA-N 357.414 0.598 0 50 FCAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(c4ncccn4)CC3)C2)CC1 71750295 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364.414 0.574 0 50 FCAA Cc1noc(C)c1CCCNS(=O)(=O)CC[C@@H]1CCS(=O)(=O)C1 1857692214 UOUFZAWQIQGRNV-ZDUSSCGKSA-N 364.489 0.968 0 50 FCAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCO)C1)c1ccc2nc[nH]c2c1 1857695003 OVZXVBDHMODYHN-LIRRHRJNSA-N 371.441 0.398 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857739777 RTYNCBRUWRSYHK-XHSDSOJGSA-N 368.503 0.155 0 50 FCAA O=C(O)CCCCCCNC(=O)C(=O)N1CC[C@@H](NC(=O)C2CCC2)C1 1875266204 PTTDYONWPIEHNK-CQSZACIVSA-N 367.446 0.655 0 50 FCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H](C)Cc3cnn(C)c3)C2)n1 1875398010 XIERTNBQPRMZLI-MLGOLLRUSA-N 371.489 0.986 0 50 FCAA CCc1nc(CN2C[C@H]3CN(C(=O)Cc4ccn(CC)n4)C[C@H]3C2)no1 1875407084 SIYAKCDKGCFASD-OKILXGFUSA-N 358.446 0.981 0 50 FCAA O=C([C@@H]1CCCN1C(=O)Cc1cc2ccccc2nc1O)N1CCNCC1 2325775014 RPNACLOFWUKBTD-KRWDZBQOSA-N 368.437 0.906 0 50 FCAA COC(=O)c1nnn(-c2nonc2N)c1COc1ccc(C=O)cc1OC 2884295 XZJIZDZKFANRFK-UHFFFAOYSA-N 374.313 0.419 0 50 FCAA OCc1ccc(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)o1 19222728 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Cc1c(Cl)cccc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 426658596 XDKHHNXXHPQROS-HUUCEWRRSA-N 353.850 0.902 0 50 FCAA CN1CC(=O)N2C[C@H](NC(=O)N3CCC(c4ccncc4)CC3)C[C@H]2C1=O 670447943 SHJSTTOYHZKGLV-CVEARBPZSA-N 371.441 0.412 0 50 FCAA CN(CC(=O)NCc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 670473060 DRGDUOPTTNGFIK-LLVKDONJSA-N 354.457 0.426 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)C1 1506415911 DRSGXSXHFKWLSD-OAHLLOKOSA-N 361.508 0.780 0 50 FCAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2ccc(C)n(C)c2=O)[C@@H](O)C1 1565509330 DERRUJQAOUNMRT-IRXDYDNUSA-N 374.441 0.664 0 50 FCAA Cc1nccn1CCC(=O)N1C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C1 1565529780 ZUQJNRHKGUFIJA-CABCVRRESA-N 371.507 0.461 0 50 FCAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cnn(C)c1 1565530095 QJUFNECBYNIYBZ-GJZGRUSLSA-N 370.431 0.678 0 50 FCAA O=C(CCN1CCOCC1)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565531284 OJYHUMCAMKEGFO-GJZGRUSLSA-N 355.460 0.656 0 50 FCAA CC(=O)Nc1ccccc1SCC(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772705803 NWWWRMVMUWLWAS-BETUJISGSA-N 350.440 0.796 0 50 FCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccccc1-n1cnnc1 1857703811 SMDSSJXOHIFHCQ-ILXRZTDVSA-N 357.414 0.221 0 50 FCAA CCOc1ncccc1C(=O)N1CCO[C@@H](c2nnn(CCOC)n2)C1 1857721933 NEKZMMDAFAPIJF-CYBMUJFWSA-N 362.390 0.327 0 50 FCAA Cc1ccn(CC(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)n1 1857735439 DXCZJYKLDJIAPF-JRBPQWBISA-N 374.485 0.966 0 50 FCAA O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857741370 PFLSUFJLDMDOOC-STQMWFEESA-N 362.411 0.293 0 50 FCAA Cc1nc(C(=O)N2CC3(CCN(C(=O)c4ccn(C)c(=O)c4)C3)C2)c(C)o1 1875310504 SGILSDUNZTUVIX-UHFFFAOYSA-N 370.409 0.978 0 50 FCAA CN(C)C(=O)C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1875310533 TVXDTRREVPQURG-LLVKDONJSA-N 359.382 0.315 0 50 FCAA CCOC(=O)N1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 4756662 NNSWVUXSMDNFNA-UHFFFAOYSA-N 355.416 0.972 0 50 FCAA Cc1cc(N2CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)nc(N)n1 65383427 KSXOPFUJXUJAQE-CYBMUJFWSA-N 356.434 0.055 0 50 FCAA CCOC(=O)N1CCC(NC(=O)c2cn(C[C@H]3CCCNC3)nn2)CC1 65403425 STBJLCMGFHAEPR-ZDUSSCGKSA-N 364.450 0.628 0 50 FCAA CN1CCNC(=O)C12CCN(C(=O)[C@]13CC[C@](C)([C@@H](O)C1)C3(C)C)CC2 67675684 VQJNTWQNDMFTTH-KYNGSXCRSA-N 363.502 0.987 0 50 FCAA CCN1CCN(CCN2CC3(CCN([C@H]4CCOC4)CC3)OC2=O)CC1 72474111 YKVZGUBZBRTMPV-KRWDZBQOSA-N 366.506 0.700 0 50 FCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccncc1)CCN2Cc1ccccn1 72475665 SSOASGYHPONWSG-ZWKOTPCHSA-N 358.467 0.960 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@H]1CCCN(CCCc2ccccc2)C1 72478045 RXHGCISYOOTBJT-KRWDZBQOSA-N 370.453 0.819 0 50 FCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C[C@H]1CCNC1)CC2 77407419 BCVRNELOALVYQJ-AWEZNQCLSA-N 360.506 0.471 0 50 FCAA CN(C)C(=O)CN1CCN(Cc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77471710 DDUWFWILPGFHAT-JKSUJKDBSA-N 369.462 0.197 0 50 FCAA CS(=O)(=O)CCC(=O)N[C@H]1CN(Cc2ccncc2)C[C@@H]1C1CC1 91768809 GLWNVWLUYKYMBC-CVEARBPZSA-N 351.472 0.843 0 50 FCAA COc1cc(CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)cc2c1OCO2 91817917 LFPNEYFELQLJCI-HZPDHXFCSA-N 364.442 0.796 0 50 FCAA O=C1CN(c2ccc(C(=O)N3CC[C@]4(CCCNC4=O)C3)cc2)C(=O)N1 91966475 GGOKYVYMMGGRFD-GOSISDBHSA-N 356.382 0.485 0 50 FCAA CC(=O)N[C@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@@H]1C1CC1 91987500 RUQXRCUQSPANGE-ZBFHGGJFSA-N 359.430 0.300 0 50 FCAA CN1CC[C@@]2(CCC1=O)CN(C(=O)CCC1=NNC(=O)CC1)CCN2C 95385097 GGINXGNWCBSPQK-SFHVURJKSA-N 363.462 0.188 0 50 FCAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)COc1ccc3nncn3n1)C2 95512962 FIZFXMFXTBIGAO-QWHCGFSZSA-N 358.402 0.363 0 50 FCAA CCN1CCO[C@@H](C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 184999122 GLCIZOFEEIGYLK-OAHLLOKOSA-N 352.410 0.394 0 50 FCAA COCCN1CCCN(C(=O)c2ccc(-c3ncn(C)n3)cc2)CC1=O 191259226 KOLIRXSUQAKJAQ-UHFFFAOYSA-N 357.414 0.803 0 50 FCAA CC(C)(C)n1cc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)nn1 191681008 HIKURSNVRUWXQS-UHFFFAOYSA-N 362.478 0.803 0 50 FCAA O=C1NC(=O)[C@H](CCC(=O)N2CCN(c3nc4ccccc4o3)CC2)N1 215581991 NZIAMXUMEQWHKB-LBPRGKRZSA-N 357.370 0.465 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)NCCc2noc([C@H]3CCCO3)n2)cc1 215766948 BVDCFQYMYQPKKB-GFCCVEGCSA-N 366.399 0.541 0 50 FCAA Cc1nnc(SCCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 219850103 YLRKOQBHKUEIAK-VIFPVBQESA-N 350.491 0.479 0 50 FCAA Cc1nn(C)cc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(N)=O)cc1 222959542 QHSRFWUSFGRIHF-HZPDHXFCSA-N 358.398 0.794 0 50 FCAA CN(CCC(=O)N1CCC(Cn2cccn2)CC1)[C@@H]1CCS(=O)(=O)C1 243901526 BCFRDOIPZIEXJA-MRXNPFEDSA-N 368.503 0.631 0 50 FCAA CCn1nc(C)c(NC(=O)CN2CCN(c3cc(C)nc(N)n3)CC2)c1C 244840210 UIVMGQGKKSAPBO-UHFFFAOYSA-N 372.477 0.961 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3ccc(C(=O)O)cc3)C[C@H]2C1 247864917 XDYCVRHPOBLOFP-LPHOPBHVSA-N 362.426 0.817 0 50 FCAA O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CCS(=O)(=O)CC1 278834546 PDJCMTKRFGUSAM-GFCCVEGCSA-N 373.381 0.510 0 50 FCAA Cc1nc2ncccn2c1C(=O)N1CCCO[C@H](CN2CCOCC2)C1 299802985 ZPXZSLFECGTLST-OAHLLOKOSA-N 359.430 0.601 0 50 FCAA CS(=O)(=O)NCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)C1 426652800 CPRMASSBEXAUQL-OAHLLOKOSA-N 357.451 0.846 0 50 FCAA CS(=O)(=O)NCCn1cc([C@@H](O)c2cccc(C(F)(F)F)c2)nn1 864653046 RAORQURNFRZHFX-LBPRGKRZSA-N 364.349 0.928 0 50 FCAA CN1CCN(CC(=O)N2CC(C)(C)[C@@H]2c2nccn2CC2CC2)CC1=O 952890905 MYHGDCCOYSJIEB-KRWDZBQOSA-N 359.474 0.977 0 50 FCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCn2ccnn2)OCC(=O)N1C 1529151150 GGBZRHXAVFMDTO-SJORKVTESA-N 357.414 0.691 0 50 FCAA COc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(OC)c1 1704300368 UIIQVKZULCBVFA-SMDDNHRTSA-N 372.443 0.340 0 50 FCAA N=c1[nH]c2cc(-c3nc(CC(N)=O)nn3C[C@H]3COCCO3)ccc2s1 1857678286 LTYTXQCNQBWDNA-JTQLQIEISA-N 374.426 0.411 0 50 FCAA CNS(=O)(=O)c1cc(CN2C[C@@H](O)[C@H](CC(=O)N(C)C)C2)ccc1F 1875398486 SBGQYWGKKTWUDT-TZMCWYRMSA-N 373.450 0.005 0 50 FCAA CN1C(=O)OC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc21 1875407241 VVTRRFUHTNZVOO-WMHQRMGPSA-N 355.394 0.589 0 50 FCAA C/C(Cl)=C/Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C 796313 YENQTICCLFZNRP-POHAHGRESA-N 354.842 0.550 0 50 FCAA O=P(O)(O)c1ccccc1OCCOc1ccccc1P(=O)(O)O 2566639 VYOQEFLMJZOSNJ-UHFFFAOYSA-N 374.222 0.750 0 50 FCAA biogenic COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@]12C(=O)Nc1ccccc12 4776467 GQQWIHSLJKATDQ-LJQANCHMSA-N 367.361 0.668 0 50 FCAA CN(C)CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 10111437 QPONUVSOFBSUPX-UHFFFAOYSA-N 357.432 0.249 0 50 FCAA CCOC(=O)Cn1c(=O)c2c(nc3n(CC(C)C)c(C)cn23)n(C)c1=O 10233389 USPUFEXNNCAPAQ-UHFFFAOYSA-N 361.402 0.677 0 50 FCAA CCN(CC)C(=O)Cn1cc(C(=O)NCCSc2nccn2C)nn1 12445433 XRIOPBOPVMVGMD-UHFFFAOYSA-N 365.463 0.402 0 50 FCAA O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N=c1[nH]c2ccccc2[nH]1 13736427 KYICLMRDLUEFQR-HNNXBMFYSA-N 352.350 0.880 0 50 FCAA Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3[nH]c(=O)ccc3=O)n2)cc1 16848148 JARQMVKJXZVCRB-UHFFFAOYSA-N 373.394 0.733 0 50 FCAA CCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 72146192 WFNFDDWDKKLJBY-INIZCTEOSA-N 367.421 0.366 0 50 FCAA CS(=O)(=O)c1cnc(N2CCC(C(N)=O)CC2)nc1[C@@H]1CCCNC1 72409229 WAJXXPBVQPZGTK-GFCCVEGCSA-N 367.475 0.049 0 50 FCAA COc1cc(CN2CCC[C@](O)(CN(C)C)C2)ccc1OCC(N)=O 72418194 QCDHZGZFMQLFAI-SFHVURJKSA-N 351.447 0.448 0 50 FCAA CCc1ncc(CN2CCC[C@H](NC(=O)CN3CCOC3=O)CC2)cn1 82116037 QKIYRKSUOYRKKB-HNNXBMFYSA-N 361.446 0.962 0 50 FCAA Cn1cc(CN(C(=O)c2cnc(Cn3cncn3)nc2O)C2CC2)cn1 91288697 FRXAZGDDBGTEJR-UHFFFAOYSA-N 354.374 0.360 0 50 FCAA O=C(NC(CO)CO)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 91997712 NPLPNTBUXSHCFA-GFCCVEGCSA-N 374.359 0.913 0 50 FCAA O=C(CN1C(=O)COc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 95506960 GGHQLCOJAIBCOU-OAHLLOKOSA-N 370.409 0.926 0 50 FCAA N[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCc3cccnc3)c2)C1 97436935 ZVTNLUXPXKKEJF-INIZCTEOSA-N 374.466 0.776 0 50 FCAA O=C(c1cc(-c2ccccc2)on1)N1C[C@H]2CN(CCO)C[C@@]2(C(=O)O)C1 97505421 RQKQSHJAKWESEH-AUUYWEPGSA-N 371.393 0.793 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1CN1CCc2ccccc21 140430214 GTDWTHNGLDOEPV-HNNXBMFYSA-N 354.410 0.590 0 50 FCAA Cn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c(=O)[nH]c1=O 220673928 RLAQXBYYCRNFCD-CQSZACIVSA-N 353.382 0.938 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCCN2)cc1F 237442627 DNKUDBVZIVWWNX-JTQLQIEISA-N 350.437 0.650 0 50 FCAA Cn1ncc2c(N3CCN(C(=O)CC4C[C@@H]5CC[C@H](C4)N5)CC3)ncnc21 237816185 MKRCKLVYCPCZRV-GOOCMWNKSA-N 369.473 0.933 0 50 FCAA O=C(O)CN1CCN(C/C=C/c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247398539 MRGYJQMYXFBEAZ-RWAOMAIQSA-N 368.430 0.707 0 50 FCAA COC(=O)c1cn(-c2ccc(N(C)C)c(C(N)=O)c2)cc2c(=O)[nH]nc1-2 253413339 UNUXBFMQOBIKJV-UHFFFAOYSA-N 355.354 0.617 0 50 FCAA Cn1ccnc1[C@@H]1CNCCN1C(=O)CCn1nnc2ccccc2c1=O 261625226 AHSLVOQPAHBSQP-HNNXBMFYSA-N 367.413 0.088 0 50 FCAA CN(Cc1nnnn1CC1CCOCC1)S(=O)(=O)c1cccs1 277410488 DNSKVLGYORJCAN-UHFFFAOYSA-N 357.461 0.982 0 50 FCAA N[C@@H]1CCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)C1 299748322 GXZLWGDHNFAQTO-SSDOTTSWSA-N 366.212 0.409 0 50 FCAA COc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 299752848 VSZVMEUDQVZFPO-YUELXQCFSA-N 367.423 0.932 0 50 FCAA O=C(CCCc1cn[nH]c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 299782391 SRLAPJUJKCKYQA-UHFFFAOYSA-N 355.464 0.217 0 50 FCAA O=C(Cn1cnc2ccccc21)N1CCCO[C@@H](CN2CCOCC2)C1 299796720 QGFFKIQBWIFLBZ-INIZCTEOSA-N 358.442 0.986 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H](O)C1 299799891 VNKBVJLESBYMOB-NVXWUHKLSA-N 358.442 0.432 0 50 FCAA O=C(O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCO1 331120040 LTUFIYUJLASQJK-TVQRCGJNSA-N 354.309 0.630 0 50 FCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1ccc(OC)cc1OC 818363192 HLHLLZMROWAHHW-ZDUSSCGKSA-N 359.386 0.374 0 50 FCAA COCCNCCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1CCOC 952895626 UXKGUZSMJRBPPF-AWEZNQCLSA-N 353.467 0.858 0 50 FCAA O=C(NCC1CCN(C(=O)[C@@H]2CCCO2)CC1)c1cc2ncccn2n1 952979915 IWJOXNYYXQXZRX-HNNXBMFYSA-N 357.414 0.877 0 50 FCAA O[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]1Cc1ccccn1 1615953505 FJEMMQHUCUWMJD-WMZOPIPTSA-N 355.442 0.744 0 50 FCAA CCC(=O)N1CCC2(CC1)C[C@](C)(NC(=O)c1cnccn1)[C@@H](O)CO2 1704306639 WSTPHLDNYRUJDR-YOEHRIQHSA-N 362.430 0.518 0 50 FCAA CN(c1ccc(C(=O)N2CCC([C@@H](O)CO)CC2)cc1)S(C)(=O)=O 1772704974 VMYPBTCGZVJTHA-HNNXBMFYSA-N 356.444 0.288 0 50 FCAA Cc1cccc2nc(C(=O)N[C@H](C)Cn3cnc4c(cnn4C)c3=O)cn12 1875259168 AYYDGJPOQWQLQG-LLVKDONJSA-N 365.397 0.905 0 50 FCAA CN(C[C@](C)(O)c1ccccc1)c1ncnc2c1ncn2C[C@H](O)CO 1875268981 FGSBICQZDGYUCM-KSSFIOAISA-N 357.414 0.523 0 50 FCAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)[C@@H]3CCc4nc(C)ncc4C3)O2)C1 1875389288 ISGDAHCFQITBLK-GDBMZVCRSA-N 370.453 0.952 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@]12CCCNC2=O 2356153198 WHDIDCQUEVNNNQ-GOSISDBHSA-N 356.430 0.945 0 50 FCAA COc1ccccc1Cn1c(NC[C@H](C)O)nc2c1c(=O)n(C)c(=O)n2C 1127219 KZMJJWZAZTUHHQ-NSHDSACASA-N 373.413 0.283 0 50 FCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccn2)CC1 12021987 MYJIPVFAZNOIMF-INIZCTEOSA-N 359.474 0.577 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)CCC1=O 19789804 ZTCQWEXIVPYAQN-KRWDZBQOSA-N 360.458 0.611 0 50 FCAA Cc1cccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 65364490 CBUZACWJBAIVGY-ZDUSSCGKSA-N 367.471 0.873 0 50 FCAA NC(=O)c1cccnc1N1CCN(Cc2cc3n(n2)CCCNC3)CC1 72152545 KXBMPVYYMQOZFD-UHFFFAOYSA-N 355.446 0.193 0 50 FCAA NC(=O)NCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 72164621 SACWKABTOHDDGI-MRXNPFEDSA-N 363.437 0.607 0 50 FCAA CC(=O)N[C@@H]1CCN(c2nc(-c3ccncc3)nc3c2CCNCC3)C1 72428280 HVYOIOGTCQDGGX-OAHLLOKOSA-N 352.442 0.942 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)cc1 77439990 ACYRPMJFZGWTLQ-INIZCTEOSA-N 357.414 0.273 0 50 FCAA O=C(CC[C@H]1NC(=O)NC1=O)NCCN1CCC(c2ccccc2)CC1 91551596 KDGXKGXELPJIDL-MRXNPFEDSA-N 358.442 0.970 0 50 FCAA CN1CCN(C(=O)CCCN2CCCC2=O)C[C@@]12CCNC(=O)CC2 91619951 FFHCGFYRPVBEKL-GOSISDBHSA-N 350.463 0.202 0 50 FCAA COCCN1CCC[C@@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O 91643316 YSQKGZAFKWEGCN-INIZCTEOSA-N 369.853 0.878 0 50 FCAA O=C(N[C@H]1CCCNC1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1 91770118 OYAVSALNOGOEQG-HNNXBMFYSA-N 367.471 0.626 0 50 FCAA CC[C@@H](O)C(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 95366040 VZJWWJVDQGALAV-OAHLLOKOSA-N 363.462 0.159 0 50 FCAA CCc1ccccc1C(=O)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95392960 OFMNCHMMQWXPPS-CVEARBPZSA-N 352.456 0.165 0 50 FCAA CC(C)S(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95519733 DFIXPTZEGSSBEN-CYBMUJFWSA-N 353.444 0.370 0 50 FCAA COCC(=O)N1CCC[C@@H](C(=O)N2CCN(c3nccs3)CC2)C1 95528499 USDVBYFBDCJNAY-CYBMUJFWSA-N 352.460 0.677 0 50 FCAA COCCN1C[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@]2(C(=O)O)C1 96132659 IKECAFYHQKFHKT-DNVCBOLYSA-N 361.442 0.858 0 50 FCAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(O)(C4CC4)C3)C2=O)cc1 170088460 IFWMFEKAMKMJGM-SFHVURJKSA-N 357.410 0.745 0 50 FCAA COCC1=CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 186147465 ZSJNBBCIMKLPHK-UHFFFAOYSA-N 358.192 0.104 0 50 FCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1coc(CN2CCOCC2)c1 223444391 YJTALOKXMFFTEN-HZMVEIRTSA-N 350.415 0.892 0 50 FCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(OCCNC(C)=O)cc1 223575087 XKKFLKUNPLEPKU-MLHJIOFPSA-N 362.426 0.981 0 50 FCAA COC(=O)c1cn(CCNc2ncnc3[nH]cnc23)cc2c(=O)[nH]nc1-2 263588191 QEYSJJFADMNKHN-UHFFFAOYSA-N 354.330 0.241 0 50 FCAA CCNc1nc(C)c(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)s1 299771231 UROKVTYXTAQVJO-UHFFFAOYSA-N 364.475 0.906 0 50 FCAA CC(C)CN1CCn2nc(CNC(=O)CCn3ccc(O)nc3=O)cc2C1 299780276 PNPJAQCGEMAVBD-UHFFFAOYSA-N 374.445 0.324 0 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FCAA Cc1cccc2ncc(C(=O)N[C@@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)c(=O)n12 1857737988 MHTUTXDAVDGILC-HLLBOEOZSA-N 368.437 0.984 0 50 FCAA C=CC(=O)N1CCN(C(=O)[C@@H]2CCc3nc(C)ncc3C2)C[C@@H]1CCO 1875389490 QISFLCYZCKXMIO-ZBFHGGJFSA-N 358.442 0.498 0 50 FCAA COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)c2nnc(O)nc2O)c1 2325852022 PUOMOBUHKFPPCC-JVXZTZIISA-N 350.331 0.152 0 50 FCAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 2325888544 CDVJLOXVAVKHRC-CYBMUJFWSA-N 355.398 0.934 0 50 FCAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1 855219 BRVJKWAKDIEDFM-HNNXBMFYSA-N 373.409 0.693 0 50 FCAA Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCC(C)CC1 10233866 ZOMOQQTUBLSLPI-UHFFFAOYSA-N 358.446 0.727 0 50 FCAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1 16276381 FBHWPCIMNNWSLT-UHFFFAOYSA-N 354.428 0.709 0 50 FCAA CCN1CCN(C(=O)CCC2CCN(C(=O)Cn3cncn3)CC2)CC1 19225029 VJFBDZLJJIEXSQ-UHFFFAOYSA-N 362.478 0.461 0 50 FCAA CN1CC(=O)N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@H]2C1=O 65399163 XDNGEEDSEWTWCR-ZBUUCQELSA-N 360.458 0.650 0 50 FCAA O=C1N[C@](c2ccccn2)(C2CCNCC2)C(=O)N1Cc1ncccn1 67866834 DRMNCIWHSTUMAW-SFHVURJKSA-N 352.398 0.819 0 50 FCAA O=C(c1cn(-c2ccccc2)nn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 72138780 BXXJRIPVVHTNKT-MRXNPFEDSA-N 355.398 0.731 0 50 FCAA CC(=O)NCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCCCC2)[C@H]3C1=O 77439338 ROOQBIWOIGJLPE-FPXQBCRKSA-N 361.442 0.307 0 50 FCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC2(CC1)Nc1ccccc1NC2=O 82120850 YAXUXVIPYYVQMA-UHFFFAOYSA-N 355.354 0.102 0 50 FCAA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1cc2n(n1)CCNC2 82121982 VOXNEXOQQLXZLH-IBGZPJMESA-N 369.469 0.894 0 50 FCAA CN(Cc1ccc(CN2CC[C@]3(CCCNC3=O)C2)o1)S(C)(=O)=O 91643592 YSEWYLXQBAEWAH-MRXNPFEDSA-N 355.460 0.773 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnn(C)c1)CC2 91695209 PIUZAYNMIRSTIP-UHFFFAOYSA-N 372.429 0.306 0 50 FCAA CN(CCO)C[C@@H]1CN(C(=O)Cc2c(F)cc(F)cc2F)C[C@@H]1CO 91706323 GUYMJHCIHFUMPS-VXGBXAGGSA-N 360.376 0.637 0 50 FCAA Cc1nccn1Cc1nnc([C@@H]2CCCN(CCCn3cnnn3)C2)n1C 95384722 WCXZATVPDMQQCF-OAHLLOKOSA-N 370.465 0.625 0 50 FCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1cnc(-c2cccnc2)nc1 222701179 FORZVGAPHMANBQ-KGLIPLIRSA-N 358.354 0.527 0 50 FCAA CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 223310591 ISUGEGSTQQYJBR-CHWSQXEVSA-N 353.419 0.407 0 50 FCAA CC(C)n1c(CNC(=O)CN2CCS(=O)(=O)CC2)nc2ccccc21 265630751 SPOWIEQDSPYSDZ-UHFFFAOYSA-N 364.471 0.964 0 50 FCAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCO)CC1 299757929 ILYVSVWYJFDSAF-KRWDZBQOSA-N 352.406 0.889 0 50 FCAA CCOc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2nc(CC)no2)cn1 328614296 AFUSQARUPCZPSN-CMPLNLGQSA-N 368.415 0.922 0 50 FCAA C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 330756701 HKVIMPUIDOZKLB-ZJUUUORDSA-N 366.436 0.589 0 50 FCAA O=C(Nc1cccc(C2CC2)n1)N1CC(S(=O)(=O)N2CCNCC2)C1 333290157 JFAPYFUORMTDMY-UHFFFAOYSA-N 365.459 0.410 0 50 FCAA Cc1cn(C)c(CC(=O)N2CC[C@@](C)(O)C2)c1C(=O)N1CC[C@@](C)(O)C1 408368562 JXSAOCTXSADHEO-RTBURBONSA-N 363.458 0.456 0 50 FCAA CN(C)[C@H](C(=O)NCCSc1nnnn1C)c1ccc2c(c1)OCO2 426370383 GJAIGIYRSOTJHH-ZDUSSCGKSA-N 364.431 0.450 0 50 FCAA CC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)C[C@H]1C=CCC1)CCO2 820576844 PTJKYNXFMSUAND-INIZCTEOSA-N 363.458 0.699 0 50 FCAA NS(=O)(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c1 912938610 QYNIYGSWQSMSRT-UHFFFAOYSA-N 373.387 0.373 0 50 FCAA CN1CC(N2C[C@@H](C(=O)Nc3cccnc3N3CCOCC3)CC2=O)C1 952888847 WNWNRPVRBJDKOJ-ZDUSSCGKSA-N 359.430 0.019 0 50 FCAA CN(CCNS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 1347479040 VITJJXSZWCHGOX-GFCCVEGCSA-N 371.434 0.576 0 50 FCAA N=c1nn[nH]n1CC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 1506403627 NJRKHUXXWWTBQE-UHFFFAOYSA-N 356.217 0.741 0 50 FCAA CN(C)C(=O)CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565517104 ZYEWOKFYYJNRCC-HOTGVXAUSA-N 350.415 0.700 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc2nccnc2c1 1704303099 IYIDHULGRUXJCY-SWLSCSKDSA-N 364.427 0.266 0 50 FCAA C[C@@H]1CN2C[C@@H](NC(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@H]2CO1 1857721398 MUIPERMNYRJXDM-ZLDLUXBVSA-N 358.398 0.334 0 50 FCAA Cn1nccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1[C@H]1C[C@H](N)[C@@H](O)C1 1857727376 PXOLTPNCHNVQPM-IHRRRGAJSA-N 367.413 0.332 0 50 FCAA COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cn3c(n2)CCNCC3)C1 1857736584 NNLINTPNRKJEFJ-HXUWFJFHSA-N 368.437 0.986 0 50 FCAA CCNC(=O)N1CCc2nc(C(=O)NCCc3cscn3)cn2CC1 1875251439 KUXXFXKOBLAGEL-UHFFFAOYSA-N 362.459 0.900 0 50 FCAA COC(=O)/C=C/CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1875312026 RDHCZACKGHZBRC-DKIZZRPMSA-N 364.373 0.175 0 50 FCAA Cc1nc(=N)[nH]c(=NC[C@@H]2CC(C)(C)CC[C@@H]2NC(=O)c2ncc[nH]2)[nH]1 1875408223 RAIYKOUPODSGDB-RYUDHWBXSA-N 358.450 0.774 0 50 FCAA CC(C)c1nc(O)ccc1C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 2100537936 YAJGILQSOBDWPR-NSHDSACASA-N 357.432 0.301 0 50 FCAA CC(C)(CN)CNC(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325895785 JXBVYDARGAVAAD-AWEZNQCLSA-N 372.425 0.162 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2Cc1ccccc1F 1263203 NPQKCTFYXSOXCY-UHFFFAOYSA-N 359.361 0.447 0 50 FCAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10328194 ZWXWHWNDHHAUCL-UHFFFAOYSA-N 355.460 0.830 0 50 FCAA Cc1ccc(-n2cc(CN3CCN4C(=O)[C@@H](C)NC(=O)[C@H]4C3)cn2)cc1 14753951 OWFJGEDSTNMHPU-RHSMWYFYSA-N 353.426 0.712 0 50 FCAA O=C(NC[C@@H]1CCCO1)C(F)(F)C(F)(F)C(=O)NC[C@H]1CCCO1 16246839 NLBADXVGXHHXRI-AOOOYVTPSA-N 356.316 0.847 0 50 FCAA Cc1nc(-c2ccccc2)c(C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)s1 65509096 IUTWHTOCKNUEHS-CYBMUJFWSA-N 370.434 0.901 0 50 FCAA CN1CCN(c2ncccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 66343912 JCXABOWQSPBCTC-OAHLLOKOSA-N 357.458 0.461 0 50 FCAA Cn1nc(C2CCN(C(=O)[C@H]3C=CCN3)CC2)n(Cc2ccccc2)c1=O 67851884 AMWMNCBAOAPLDU-QGZVFWFLSA-N 367.453 0.864 0 50 FCAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCCO 72161502 VRLFEFDMSBCXPF-CQSZACIVSA-N 357.813 0.668 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(S(=O)(=O)C2CC2)C1 72418081 PUCRKVKRJXSADS-ZDUSSCGKSA-N 369.491 0.319 0 50 FCAA O=C(N[C@H]1CC[C@H]1NC1CCOCC1)c1ccc(-n2cnnn2)cc1O 72432287 WHTUDAQSLITTMP-CABCVRRESA-N 358.402 0.397 0 50 FCAA CS(=O)(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 72436630 BYMMWOMMIQFNSM-CQSZACIVSA-N 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263072794 ZUXXBJKGCDJKGS-UONOGXRCSA-N 363.349 0.216 0 50 FCAA Cn1ccnc(N2CCC[C@H](NC(=O)c3cnn4cccnc34)C2)c1=O 275524865 DIOMOIYDIAADQH-LBPRGKRZSA-N 353.386 0.222 0 50 FCAA COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 284556023 FJQOPNZYNBJKIB-NEPJUHHUSA-N 374.484 0.937 0 50 FCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C(=O)c1ccon1)CC2 299754863 AKINLQKVINRGJY-UHFFFAOYSA-N 372.429 0.690 0 50 FCAA Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 299766350 CYIJZFXEJPWKSZ-QZTJIDSGSA-N 372.469 0.658 0 50 FCAA O=C(c1cccc2c1OCO2)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 330300394 NDYFASBDWWNBHV-UHFFFAOYSA-N 364.383 0.285 0 50 FCAA CCN1CCN(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1 426380442 NCLJIBIOUCLOGJ-OAHLLOKOSA-N 360.487 0.963 0 50 FCAA Cc1cc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)nc(N(C)C)n1 426739046 MIWZDXYAKWYEAV-IBGZPJMESA-N 355.442 0.972 0 50 FCAA CCCc1cc(N2CCC[C@@](O)(Cc3nncn3C)C2)n2ncnc2n1 886065673 OKVFMHRLLXBIRX-QGZVFWFLSA-N 356.434 0.779 0 50 FCAA Cn1cncc1[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H]1N 952886242 JUVDOUBCUCJSEU-IAGOWNOFSA-N 355.442 0.824 0 50 FCAA CC(C)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)O)c2)[C@H](C)C1=O 1506398345 LHZVXMHEQAANKW-LLVKDONJSA-N 370.427 0.968 0 50 FCAA CCCN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 1704307803 KSFSMJPNAJLQSD-ZFWWWQNUSA-N 367.471 0.517 0 50 FCAA Cc1nc(O)c2c(n1)CN(C(=O)Cn1nc(C)nc1[C@@H](N)C(C)C)CC2 1857693058 GMAQOQYBDHUVHG-HNNXBMFYSA-N 359.434 0.631 0 50 FCAA CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)N2CCOCCN2)C1 1875304913 ZEBSXMDUBLXSHU-ZDUSSCGKSA-N 358.439 0.559 0 50 FCAA C[C@@H]1CC(=O)N[C@H]1C(=O)N1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1 2325826206 UFGACNROZCEAQK-RIEGTJTDSA-N 356.386 0.291 0 50 FCAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 6726737 ZLFKPCVGRRHFST-CQSZACIVSA-N 360.382 0.977 0 50 FCAA COC(=O)CN1CCN(C(=O)[C@H](C)n2cnc3ccccc32)[C@@H](C)C1=O 20118949 UIZCELDCBUJQOV-STQMWFEESA-N 358.398 0.830 0 50 FCAA O=C1NC(=O)[C@H](CC(=O)N2CCN(c3nc4ccccc4s3)CC2)N1 20135522 YYXNIFRTAIALPB-NSHDSACASA-N 359.411 0.543 0 50 FCAA NC(=O)c1cnc2n1CCN(C(=O)c1ccccc1N1CCOCC1)C2 67541057 WOACTBQUQLXZQV-UHFFFAOYSA-N 355.398 0.475 0 50 FCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCNC(C)=O)C2=O)c1 67847487 JTHLOOFDOBFCOF-GOSISDBHSA-N 367.421 0.414 0 50 FCAA CS(=O)(=O)N1CCO[C@@H](Cn2cc(CCc3ccccc3)nn2)C1 67935360 KVTMEFQKSFDHII-INIZCTEOSA-N 350.444 0.724 0 50 FCAA Cn1nc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)ccc1=O 72129286 HQONTJOZUFLSSA-UHFFFAOYSA-N 363.377 0.729 0 50 FCAA Cc1nn2cc(CCNC(=O)[C@@H]3CC4(CCNCC4)CN3C)nc2s1 72410027 SZUBYBMXKGNARQ-AWEZNQCLSA-N 362.503 0.832 0 50 FCAA O=C(C[C@@H]1COCCN1C(=O)CCCc1cn[nH]c1)N1CCCOCC1 72458089 UQJKKRZKPJBRGL-MRXNPFEDSA-N 364.446 0.599 0 50 FCAA O=C(Cn1ncc2ccccc21)NCc1cc(N2CCOCC2)ncn1 72473596 LMTJQIWAEJBJJQ-UHFFFAOYSA-N 352.398 0.979 0 50 FCAA Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2cscn2)CC1 91908069 ZNWVVYMSIPIXCC-UHFFFAOYSA-N 358.431 0.931 0 50 FCAA CCNC(=O)c1cccc(NC(=O)NC2CCN(CC(N)=O)CC2)c1C 96148464 ZKVNMOBFJBELNH-UHFFFAOYSA-N 361.446 0.816 0 50 FCAA COc1cccc(-c2n[nH]cc2C(=O)N2CCN(S(C)(=O)=O)CC2)c1 97594868 SSLQIPNZJQYOEA-UHFFFAOYSA-N 364.427 0.803 0 50 FCAA C/C(Cl)=C/Cn1c(NN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 170624820 ASYSDJGXIYWIRY-WMZJFQQLSA-N 368.825 0.235 0 50 FCAA CCn1c(=O)[nH]c2cc(C(=O)N3CCNC(=O)[C@@H]3CC(C)C)ccc2c1=O 189118403 UKLVXCQLPVYZOB-HNNXBMFYSA-N 372.425 0.696 0 50 FCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)c1ccc2sc3c(c2c1)CCNC3=O 221187591 KENXGZMNHRZCQF-UHFFFAOYSA-N 370.390 0.494 0 50 FCAA NC(=O)CO[C@H]1CCOC[C@H]1NS(=O)(=O)c1cccc2ccccc12 222500491 LYSWZNOFEIIGBC-CABCVRRESA-N 364.423 0.778 0 50 FCAA COc1ccc(-c2noc([C@@H](C)NC(=O)CCNS(C)(=O)=O)n2)cc1 244633751 GIYQFAJQNYBIEC-SNVBAGLBSA-N 368.415 0.862 0 50 FCAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nccn2C)c1 244873107 WKDRQBYBWZEPGC-QGZVFWFLSA-N 369.469 0.778 0 50 FCAA Cn1c(CO)nnc1[C@H]1CCCN(CCC(=O)Nc2nccs2)C1 252502644 USGPULMEYXSNAH-NSHDSACASA-N 350.448 0.972 0 50 FCAA O=C(O)CCNC(=O)NC[C@H](O)COc1ccccc1Br 263363974 LBGGPHDEFUGSAV-VIFPVBQESA-N 361.192 0.963 0 50 FCAA O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[C@H](O)CN1 269241126 QPQRDEHHEJUWMG-VBNZEHGJSA-N 353.850 0.552 0 50 FCAA CC1CCC(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)CC1 299751335 QKLMVQUBZLHPKD-SLTAFYQDSA-N 353.463 0.888 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)CN3Cc4ccccc4C3)CC2)C(=O)N1 299783963 RMGQJHVBDYLCEY-UHFFFAOYSA-N 355.442 0.411 0 50 FCAA Cc1occc1C(=O)NCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 331571884 DIFDHXSQEAOXKC-DGCLKSJQSA-N 357.432 0.152 0 50 FCAA Cn1cc(Br)c(C(=O)N2CCc3nn(C)c(=O)cc3C2)n1 331906008 CFFUSXWJVPSJBT-UHFFFAOYSA-N 352.192 0.475 0 50 FCAA CCN1CCO[C@@H](CN2CCN(c3cc(=O)n4ccccc4n3)CC2)C1 369697467 QOZUNKQSBYRGSH-MRXNPFEDSA-N 357.458 0.537 0 50 FCAA Cn1cc(CCNC(=O)N2CCCO[C@H](CN3CCOCC3)C2)cn1 426386973 WHZFWKBAFHVVND-MRXNPFEDSA-N 351.451 0.095 0 50 FCAA Cc1cccc(=O)n1CCC(=O)N1CCN(c2ccnc3nncn23)CC1 426428100 QCNAKXLRSLEQOR-UHFFFAOYSA-N 367.413 0.333 0 50 FCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)CCc1cccc(OC)c1 818367322 PYISHABRQLCVOF-HNNXBMFYSA-N 357.414 0.685 0 50 FCAA Cc1cc(Cl)cc(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529155663 YGACNKQGLIDZPR-GXTWGEPZSA-N 360.863 0.973 0 50 FCAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 1565511613 JCBZGVGYJVFATO-HOTGVXAUSA-N 359.430 0.868 0 50 FCAA C[C@@H]1C(=O)N2CCC[C@H]2CN1S(=O)(=O)c1cccc2c1OCCO2 1772711588 DZNYAQPFPGHGJZ-NEPJUHHUSA-N 352.412 0.842 0 50 FCAA Cc1c(C(=O)N2C[C@@H]3CN(C(=O)c4cnsc4)C[C@@]3(CO)C2)ccn1C 1772712703 ZGSFOKVXUVIAMC-KSSFIOAISA-N 374.466 0.997 0 50 FCAA Cc1noc(C)c1CNC(=O)[C@]12CCCCN1C[C@@H](NS(C)(=O)=O)C2 1857694976 NRPPUGFUSQIYCJ-XJKSGUPXSA-N 370.475 0.454 0 50 FCAA COCCn1nnc([C@@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)n1 1857714875 QJXVQSQWFXPAAW-HNNXBMFYSA-N 369.385 0.476 0 50 FCAA Cc1cc(C(=O)N2CC[C@H](CN3C(=O)CNC3=O)C2)n(CC(F)(F)F)n1 1875301779 UJZBNRGXOAOLNP-JTQLQIEISA-N 373.335 0.768 0 50 FCAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1N=c1nc[nH]n2cccc12 1875399443 CJUMSYODYDFXBO-GXTWGEPZSA-N 354.418 0.323 0 50 FCAA CCN1CC[C@]2(CCN(c3nc4nonc4nc3N3CCOCC3)C2)C1 12570262 PZJXZPHZHGXMPI-KRWDZBQOSA-N 359.434 0.772 0 50 FCAA NCCCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(Cl)cc3)CCN2C1=O 14543161 XSSHZBDDRYAFIF-JKSUJKDBSA-N 364.877 0.980 0 50 FCAA CN1CC(=O)N2CCN(S(=O)(=O)c3cc4ccccc4o3)C[C@H]2C1=O 65462470 CZZJHZXGKZQBGP-LBPRGKRZSA-N 363.395 0.106 0 50 FCAA NC(=O)c1ccc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)cc1 67630435 LNVJHCQXFXJTDE-UHFFFAOYSA-N 373.438 0.534 0 50 FCAA CCn1c([C@H]2CCCN(C(=O)c3cccnn3)C2)nn(CCN(C)C)c1=O 67675089 HANLFIIWLBKWJB-AWEZNQCLSA-N 373.461 0.436 0 50 FCAA CC[C@]1(C2CCN(C(=O)c3nnc4n3CCCC4)CC2)NC(=O)NC1=O 67724209 XGJDHOKSKFZGQY-QGZVFWFLSA-N 360.418 0.455 0 50 FCAA COC[C@@H](O)CNc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 72144670 SLWNDODZRISTKY-AWEZNQCLSA-N 357.414 0.862 0 50 FCAA NCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72147255 ZKBMJRRRSMCBFL-MRXNPFEDSA-N 360.458 0.483 0 50 FCAA COCCN(C)CCN1CC2(CCN([C@@H]3CCCNC3)CC2)OC1=O 72479535 QPRQBBJZQYSPEK-MRXNPFEDSA-N 354.495 0.603 0 50 FCAA CCN1CCN(CCN2CC3(CCN(C(=O)COC)CC3)OC2=O)CC1 77379191 ANIXXJVLAVKMJY-UHFFFAOYSA-N 368.478 0.084 0 50 FCAA COCCn1ccnc1C1CCN(C(=O)CCNS(C)(=O)=O)CC1 91770644 HZDQJAHKXSNHCI-UHFFFAOYSA-N 358.464 0.175 0 50 FCAA CS[C@@H](C)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 92066715 RIGXSUYVAYDVSE-NSHDSACASA-N 372.516 0.797 0 50 FCAA Cc1nc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cc(=O)[nH]1 96160626 FXSGVCNERKIHPW-UGSOOPFHSA-N 362.430 0.076 0 50 FCAA CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCCC2)Oc2ccccc21 97546721 LPGCGIFXFJNXHX-OAHLLOKOSA-N 353.444 0.426 0 50 FCAA COc1ccc(-n2ccc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)n2)cc1 150734739 WTFZAUKZLUUARQ-UHFFFAOYSA-N 355.354 0.531 0 50 FCAA CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)[C@@H](C)C(=O)N(C)C 170613306 ATZMGJXBHKNVMN-STQMWFEESA-N 356.444 0.955 0 50 FCAA CN1CCN(CCOc2ccccc2CN2CCS(=O)(=O)CC2)CC1 216299574 MARFZCPPUPSSOQ-UHFFFAOYSA-N 367.515 0.543 0 50 FCAA COc1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc(OC)c1OC 244678716 IIUGUASERYGOQI-JTQLQIEISA-N 358.416 0.463 0 50 FCAA NCCC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262176163 FTWXULJIKHRFJX-UHFFFAOYSA-N 355.445 0.595 0 50 FCAA Cc1noc([C@H]2CCN(C(=O)CCn3nnc4ccccc4c3=O)C2)n1 329093217 XGWLEPAAHPFHMF-LBPRGKRZSA-N 354.370 0.889 0 50 FCAA O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@](CO)(c2ccccc2)C1 367267217 NOTKJEVSWPNMPG-IBGZPJMESA-N 359.426 0.510 0 50 FCAA Nc1nc(O)cc(-c2cccc(C(=O)NCCN3CCCC[C@@H]3CO)c2)n1 426566877 KUFPVOOUZQOEDR-OAHLLOKOSA-N 371.441 1.008 0 50 FCAA CCN(C(=O)Nc1cc(NS(C)(=O)=O)ccc1C)[C@H]1COC[C@@H]1O 426701631 OVSADSAJJCFOFX-KBPBESRZSA-N 357.432 0.980 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2nncn2C)ccc1OC 670456455 ZABYXJZAUOVTLR-VIFPVBQESA-N 353.404 0.223 0 50 FCAA CN(CCC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O)c1ccncc1 952848124 BMQNOGUNWSHNOV-SQWLQELKSA-N 358.446 0.707 0 50 FCAA CN(C)c1cc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2cccnc2)ncn1 952888632 LVGWREAELOHWHI-LSDHHAIUSA-N 356.430 0.866 0 50 FCAA CC(C)CN1CCN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H]1CCO 952964286 NLBLEMUVCSQQHP-INIZCTEOSA-N 363.458 0.716 0 50 FCAA COCc1noc(CN2CCC[C@@H](CNC(=O)C3CCOCC3)C2)n1 952968869 GCMHVOJMFSASQD-ZDUSSCGKSA-N 352.435 0.971 0 50 FCAA Cc1nnc(SCC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)o1 1565526394 RQOKEXZMAYEDAU-RYUDHWBXSA-N 369.472 0.678 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)cc1 1565530722 NMHATZLTLYHGOZ-FZKCQIBNSA-N 365.455 0.316 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cnc2c(c1)CCCC2 1704335594 OXGIAGCOAHOGBY-HOCLYGCPSA-N 367.471 0.597 0 50 FCAA O=C(Cn1cnnc1)N1C[C@@H]2CN(C(=O)c3ccccc3F)C[C@]2(CO)C1 1772709634 OZRMMAPPBIZIQY-ACJLOTCBSA-N 373.388 0.010 0 50 FCAA O=C(CNC(=O)c1ccccc1)N[C@@H]1CC[C@H](NC(=O)C2CCOCC2)C1 1857681295 HVYBKTQPIOKXMW-SJORKVTESA-N 373.453 0.997 0 50 FCAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4cnccn4)cccc3C2=O)C(=O)N1 1857798229 VUDMYOXVRGQJRJ-CQSZACIVSA-N 365.349 0.490 0 50 FCAA NCCCCCOc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1875302037 XTDVDUSWFFNLSE-GFCCVEGCSA-N 359.382 0.596 0 50 FCAA CC(=O)N1CC2(C1)[C@@H](C(=O)N1CC(c3ccccc3)C1)CCS2(=O)=O 1875396066 UTCUMSOHNRJVFW-MRXNPFEDSA-N 362.451 0.648 0 50 FCAA CN(C)c1nccc2c1CN(c1cc(N3C[C@H](O)C[C@@H]3CN)ncn1)CC2 1875396855 GDHIFINGIDBOAE-HUUCEWRRSA-N 369.473 0.399 0 50 FCAA C[C@H](C(=O)N1CCc2nc(C3CCOCC3)nn2CC1)N1CCCC1=O 2356137483 ZYKSYBYQRZLKAY-CYBMUJFWSA-N 361.446 0.568 0 50 FCAA O=C1COC2(CCN(Cc3cnc(=NCc4ccccc4)[nH]c3)CC2)CN1 2356147473 XWBDYWGFHHYURL-UHFFFAOYSA-N 367.453 0.992 0 50 FCAA CN(Cc1ccc2nsnc2c1)C(=O)Cn1nnnc1CN1CCCC1 12052374 VONCDXVAYZNBOW-UHFFFAOYSA-N 372.458 0.932 0 50 FCAA CC(C)(CO)NC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 39467914 ZUXHWUGVWLEDOM-ZDUSSCGKSA-N 355.385 0.542 0 50 FCAA Cc1noc2nc3c(c(C(=O)N4CCN5CCNC(=O)[C@@H]5C4)c12)CCC3 65505487 VKPBEZNHRKQSDX-ZDUSSCGKSA-N 355.398 0.276 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(-c2ccccc2OC)[nH]n1 67690776 PEEPDBJNHICNAR-ABAIWWIYSA-N 357.414 0.763 0 50 FCAA CCn1nc(CO)c2c1CCN(C(=O)c1cnc3c(c1)nc(N)n3CC)C2 77287665 XXUHYGIRPSBVPC-UHFFFAOYSA-N 369.429 0.941 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@H]3C1=O 77460033 WTFHGXQMZJNOKS-KRXQYRFLSA-N 360.414 0.105 0 50 FCAA COCCN(C)CCN1CC2(CCN(C(=O)C(C)(C)N)CC2)OC1=O 77469966 FAYAFQUOPCBVAV-UHFFFAOYSA-N 356.467 0.115 0 50 FCAA CN(Cc1nc(-c2ccccn2)no1)C(=O)C[C@H]1CCS(=O)(=O)C1 82093014 HZCAKWJVNBMWMA-LLVKDONJSA-N 350.400 0.915 0 50 FCAA O=C(O)CC[C@@H]1CN(Cc2nc3ncccn3n2)CC[C@@H]1N1CCOCC1 92003872 WOJYZCKLGXIWGW-CABCVRRESA-N 374.445 0.512 0 50 FCAA CN(C)[C@@H](C(=O)N1CCN(CCOCCO)CC1)c1ccccc1F 95352596 PVGQXLJKPDJMIZ-QGZVFWFLSA-N 353.438 0.582 0 50 FCAA COCCN(Cc1cnn(C)c1)C(=O)CN1C(=O)COc2cccnc21 95497622 ZKYVCKWQKSKTEW-UHFFFAOYSA-N 359.386 0.216 0 50 FCAA COc1cc(NC(=O)NCCS(=O)(=O)N(C)C)cc(OC)c1OC 96150869 UGLIKGQBHJJJBV-UHFFFAOYSA-N 361.420 0.725 0 50 FCAA CCCNC(=O)CN1CCC(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1 123549003 QWAAZYHUAUXPHI-HKUYNNGSSA-N 374.485 0.935 0 50 FCAA CN(C)C[C@@H]1CN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CCO1 172757226 DGVYIEJLBJGOFR-CQSZACIVSA-N 354.476 0.537 0 50 FCAA O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCC2(CO)CCC2)c1 215638410 RCJUAWUOKGPPDS-CQSZACIVSA-N 367.471 0.219 0 50 FCAA CC[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1CC(F)F 222050923 NYWLNZLZHSZFMK-NWDGAFQWSA-N 353.435 0.598 0 50 FCAA COc1ccc([C@H](NS(=O)(=O)c2cnn(C)c2)C2CC(O)C2)cn1 222324905 GEZDOQNPAMJZJX-QOZQQMKHSA-N 352.416 0.614 0 50 FCAA CCN(CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC1 285364057 ZAYLUIRYKJJGGG-KRWDZBQOSA-N 360.502 0.876 0 50 FCAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 299770301 PKILPIZDGDTSPL-ZDUSSCGKSA-N 367.475 0.526 0 50 FCAA COCC(=O)N1CCCN(C(=O)c2cc(F)ccc2OCCCN)CC1 299792976 HYDCHQHXZLTBGM-UHFFFAOYSA-N 367.421 0.874 0 50 FCAA O=S(=O)(NCCN1C[C@@H]2CC[C@H](C1)O2)N1CCc2ccccc2C1 333036784 DHKSNLJKCDLXTO-CALCHBBNSA-N 351.472 0.742 0 50 FCAA Cc1cc(C)nc(CCNc2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)n1 426707178 KIPNJRLTDFKPLE-AWEZNQCLSA-N 370.457 1.223 0 50 FCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc21 428189985 CPDCQHMOOHYSMQ-NOXHYTERSA-N 361.423 0.451 0 50 FCAA O=C(NCCN1N=C(c2ccccc2)CCC1=O)N1CCN(CCO)CC1 534660571 WZNVGBUJSODXLH-UHFFFAOYSA-N 373.457 0.333 0 50 FCAA CN(C)C(=O)c1cnc(N2C[C@@H]3COCC[C@]3(C(N)=O)C2)c(Cl)c1 952850228 JTPIOEQVWZEWDM-BZNIZROVSA-N 352.822 0.765 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1cc(F)ccc1F 1704297115 BTLVDGWQAKKUOQ-SMDDNHRTSA-N 362.398 0.530 0 50 FCAA CCc1ncc(S(=O)(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)[nH]1 1704335683 DEINURKREOWCRT-FZMZJTMJSA-N 359.448 0.028 0 50 FCAA O=C(NC1CCNCC1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772806680 IFFMFBRBOLLEBZ-LBPRGKRZSA-N 350.488 0.953 0 50 FCAA O=C1OCCN1CC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857724237 QVXSPJQGQFIRES-KHYOSLBOSA-N 371.393 0.740 0 50 FCAA COCCn1nnc([C@H]2CN(C(=O)c3ccc4c(c3)CCO4)CCO2)n1 1857724253 RODRGWOAUPMLRL-OAHLLOKOSA-N 359.386 0.468 0 50 FCAA CN(C[C@@]1(O)CCc2ccccc21)c1ncnc2c1ncn2C[C@H](O)CO 1875269008 POKYUJABJUNUAX-LIRRHRJNSA-N 369.425 0.450 0 50 FCAA O=C(NCc1cn(C[C@@]2(O)CCNC2)nn1)Nc1ccccc1Cl 1875320162 JGOXNFNVIQUQHE-OAHLLOKOSA-N 350.810 0.978 0 50 FCAA CNc1ncccc1C(=O)N[C@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@@H]1O 2100482348 SJDIPTTZWYFYPP-CQDKDKBSSA-N 372.429 0.075 0 50 FCAA Cn1cc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c(-c2ccnn2C)n1 2325785083 ALLJLYVOYZTECZ-FRFSOERESA-N 355.446 0.946 0 50 FCAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2cncc3c2CCCC3)ncn1 2325786191 OLKMNCLARIDJQJ-ZIAGYGMSSA-N 368.441 0.702 0 50 FCAA CN1C(=O)NCC12CN(S(=O)(=O)c1cccnc1OCC(F)F)C2 2325792197 KKQRIMFGWJJWCL-UHFFFAOYSA-N 362.358 0.124 0 50 FCAA CC(C)NC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886813 KLJBXPAMEOUKEK-CQSZACIVSA-N 358.398 0.655 0 50 FCAA O=C(NC[C@@H]1CCCO1)C(F)(F)C(F)(F)C(=O)NC[C@@H]1CCCO1 2752852 NLBADXVGXHHXRI-UWVGGRQHSA-N 356.316 0.847 0 50 FCAA Cn1nc(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)ccc1=O 11953380 XWRORQRJMPKPRP-CQSZACIVSA-N 352.394 0.278 0 50 FCAA CC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCC3=O)ccc21 71376490 UCXSLGDPEGLEQQ-UHFFFAOYSA-N 351.428 0.496 0 50 FCAA NCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71752257 MNUVOZGJANZEGK-KRWDZBQOSA-N 373.501 0.750 0 50 FCAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)CCCc1nc(-c2ccco2)no1 72146200 APZLZUJETWNGIU-CYBMUJFWSA-N 373.413 0.731 0 50 FCAA CCOCCN1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72407469 ZSEPGSAENKIEDI-OAHLLOKOSA-N 351.495 0.988 0 50 FCAA Cn1c(CN2CCOCC2)nnc1C1CCN(c2ccnc(N)n2)CC1 77375215 MAROCQSOQFIBTJ-UHFFFAOYSA-N 358.450 0.404 0 50 FCAA O=C(COCc1nc2cc(F)ccc2[nH]1)NCc1cc2n(n1)CCNC2 82096356 XIXNSTMNWUTEFU-UHFFFAOYSA-N 358.377 0.835 0 50 FCAA CC(C)c1cc(C(=O)NCc2cc3n(n2)CCCNC3)nc2ncnn12 82106986 OERMXNPZPJHJMY-UHFFFAOYSA-N 354.418 0.868 0 50 FCAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2cc(C)n[nH]2)CC1 91304339 CFUXQRQESDCKQP-UHFFFAOYSA-N 369.433 0.989 0 50 FCAA CN(CC(=O)N1CCC(CCn2cccn2)CC1)[C@@H]1CCS(=O)(=O)C1 91535165 IHFZWGOGGTZKCF-MRXNPFEDSA-N 368.503 0.631 0 50 FCAA CCN1CC[C@@]2(CCC1=O)CN(S(=O)(=O)c1cccnc1)CCN2C 91872775 GUBLPUSCHCVZMO-KRWDZBQOSA-N 366.487 0.789 0 50 FCAA C[C@H]1Oc2ccc(NC(=O)NCCN(C)S(C)(=O)=O)cc2N(C)C1=O 95510860 MLDXDMFJMXALMR-SNVBAGLBSA-N 370.431 0.443 0 50 FCAA CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)[C@@H](C)C(=O)N(C)C 170613305 ATZMGJXBHKNVMN-QWHCGFSZSA-N 356.444 0.955 0 50 FCAA O=C(N[C@H]1CCN(C(=O)CCc2cccnc2)C[C@@H]1O)c1ccncc1 216265109 BAZHVNPIMRKECZ-IRXDYDNUSA-N 354.410 0.801 0 50 FCAA COc1cc(C(=O)N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)ccn1 216633409 IHBKDEDDOKTVLO-ZFWWWQNUSA-N 356.382 0.491 0 50 FCAA Cc1ccc([C@H](O)CNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 242389397 ZWXIVGSOIPRBGE-KCEFYPGHSA-N 354.406 0.952 0 50 FCAA CCc1ccc(CN2C[C@@H](C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 244795783 RNNKZZHKODTYAV-INIZCTEOSA-N 364.467 0.855 0 50 FCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1nn(C)cc1Cl 248026072 SFHJLNHDOQHALT-NEPJUHHUSA-N 353.854 0.698 0 50 FCAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccnc2N2CCOCC2)C1 271487300 DZUAXRLJRXOILL-CYBMUJFWSA-N 368.459 0.072 0 50 FCAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C[C@H]2O)no1 299781734 UTBBXWOMSUHJDD-GDBMZVCRSA-N 359.382 0.754 0 50 FCAA CC1(C)CN(C(=O)c2cc(S(C)(=O)=O)cs2)CCS1(=O)=O 408058330 ALXJWQICECVYKT-UHFFFAOYSA-N 351.471 0.801 0 50 FCAA CCc1ccccc1OC1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)C1 670444019 HJOYRFFCXBWOIF-GDBMZVCRSA-N 368.455 0.834 0 50 FCAA CCN1C[C@@H](CN(C)S(=O)(=O)c2cccc3nn(C)nc23)CC1=O 670461184 PKBNPMBYADOTKN-LLVKDONJSA-N 351.432 0.457 0 50 FCAA O=C(NCc1cnc2cnccn12)N1CCC[C@H](C(=O)N2CCOCC2)C1 827921796 GJBZHZWFQBXZNA-AWEZNQCLSA-N 372.429 0.510 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1noc(-c3ccco3)n1)C2 1076110352 FGEZZJJSAOXOSI-OLZOCXBDSA-N 373.413 0.841 0 50 FCAA Cc1ccc(Cl)c(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529089707 ZFEOZUYLKWBUQX-SMDDNHRTSA-N 360.863 0.973 0 50 FCAA CC(C)(CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCOCC1 1529192134 OOAUIJMGGZAYLJ-SJORKVTESA-N 361.442 0.470 0 50 FCAA Cc1nc(CN2CCN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)co1 1565506075 IZWHCURKHPJRCV-DLBZAZTESA-N 362.455 0.861 0 50 FCAA Cc1ccn2c(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)nnc2n1 1565510848 SREWWTDNDRMSDS-STQMWFEESA-N 354.370 0.794 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(F)c1 1704304278 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358.398 0.830 0 50 FCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)C1(O)CCCC1)C2 67473045 ITIKIFDZPKAHDN-UHFFFAOYSA-N 369.425 0.855 0 50 FCAA Cc1ccc(N2CC[C@H]3N(S(C)(=O)=O)CCC[C@]3(C(=O)O)C2)nn1 72440373 MLKMCYVPPJHTNL-DOMZBBRYSA-N 354.432 0.490 0 50 FCAA Cc1cc(-c2cn3cc(C(=O)N(C)[C@H](C)C(N)=O)nc3c(=O)n2C)c(C)o1 72453921 FWAZTLBUHZHJFE-SNVBAGLBSA-N 371.397 0.856 0 50 FCAA CN(Cc1ccccc1)C(=O)C[C@H]1COCCN1C(=O)CN1CCCC1=O 72477874 PDKGUOVWCJZKAQ-KRWDZBQOSA-N 373.453 0.885 0 50 FCAA CC(C)c1cc(C(=O)N2CCOC[C@](O)(CN3CCCC3)C2)nc(N)n1 77343758 KKYZBTFSXBOLJF-SFHVURJKSA-N 363.462 0.482 0 50 FCAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccn(C(F)F)n3)cc2C1 82109365 DZFNITZZBJAALP-UHFFFAOYSA-N 367.360 0.902 0 50 FCAA O=C([C@H]1CNCCO1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91677870 KYUIZPPINGOZCS-OAHLLOKOSA-N 373.457 0.011 0 50 FCAA COC(=O)c1coc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)n1 95388659 KVERDBAYWZTQHZ-NWDGAFQWSA-N 374.463 0.314 0 50 FCAA Nc1nnc(CCCNC(=O)[C@@H](c2cccnc2)N2CCOCC2)s1 95516878 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COC(=O)[C@H](CS(=O)(=O)N(C)OC)NC(=O)OCc1ccccc1 888096596 CAZXRBJDLKPNAN-LBPRGKRZSA-N 360.388 0.277 0 50 FCAA CN(C)C[C@]1(CO)CCCN(S(=O)(=O)c2ccc3nc[nH]c3c2)C1 952968618 NBGKEJKSFKUOAY-MRXNPFEDSA-N 352.460 0.888 0 50 FCAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCC(c2nnc(CO)n2C)CC1 1506418393 SJPJXKSLZFEIGE-OAHLLOKOSA-N 374.441 0.762 0 50 FCAA CC(C)c1ncc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1 1704340024 CNQDWKZZZOVJOL-QWHCGFSZSA-N 356.448 0.236 0 50 FCAA Cc1ccc(C(=O)N2CCCN(CC(=O)NC[C@@H]3CCCO3)CC2)cn1 1772710679 ZKEPKKAKWLKUJJ-KRWDZBQOSA-N 360.458 0.833 0 50 FCAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(C4(O)CC4)CC2)[C@@H]3C1=O 1772804810 DYKQROUWYZNYBD-MFCZKXCZSA-N 360.454 0.942 0 50 FCAA Cc1nnc(CN2C[C@@H]3CN(Cc4cccnc4N)C[C@@]3(CO)C2)s1 1772805837 QNTJDAZIKROXDC-YOEHRIQHSA-N 360.487 0.750 0 50 FCAA CN(C)CC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1857703632 PRTHFVITZVWRJQ-UOIKSKOESA-N 373.453 0.986 0 50 FCAA NC(=O)Cc1nc([C@H]2CCc3ncnn3C2)n(-c2ccc(F)cc2F)n1 1857713503 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CN(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72164014 FWEVQVZBOJEMJV-HNNXBMFYSA-N 370.856 0.847 0 50 FCAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72419490 NNJKAJSQPWPBBH-CVEARBPZSA-N 374.466 0.938 0 50 FCAA CCNC(=O)CN1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72433822 VIWXLYNGQQFXSO-AWEZNQCLSA-N 364.494 0.087 0 50 FCAA O=C(c1cnc(C2CC2)nc1)N1CCc2ncnc(NCCO)c2CC1 72474559 HPARZACYIMZSPU-UHFFFAOYSA-N 354.414 0.789 0 50 FCAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cn(CCN4CCNCC4)nn3)C2)n1 77489177 CTQIPXAQIVYHDH-INIZCTEOSA-N 372.477 0.084 0 50 FCAA COCC(=O)N1CCN(C)C[C@@H]1C(=O)N1CC(Oc2cccc(C)c2)C1 82087398 YYMDHNWXMSEHDB-QGZVFWFLSA-N 361.442 0.374 0 50 FCAA O=C(CCCn1cnnn1)N1CCC2(CC1)Nc1ccccc1NC2=O 92028390 YNSFJQYLSDXPQH-UHFFFAOYSA-N 355.402 0.879 0 50 FCAA C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 181978149 BMCOSQMOXKIFSR-ZDUSSCGKSA-N 370.453 0.535 0 50 FCAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2nnnn2c1 219316252 RSUPVUOVKPNZJX-OLZOCXBDSA-N 360.399 0.685 0 50 FCAA 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278592228 AAXNGRBFJBKPCP-HNNXBMFYSA-N 362.459 0.975 0 50 FCAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCN(S(C)(=O)=O)CC2)c1C 299767565 HXTAYUAZRLVZCM-NSHDSACASA-N 370.475 0.757 0 50 FCAA CS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCOCC3)CC2)cc1 299797463 ATSSUUZMIRICOB-UHFFFAOYSA-N 366.483 0.956 0 50 FCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1ncc[nH]1 328632718 SAZDQNSZPYUWFZ-CYBMUJFWSA-N 364.427 0.858 0 50 FCAA Cn1ccnc(NC[C@@H]2CN(Cc3cnn4ccccc34)CCO2)c1=O 328634340 MPNGKNFBXUPWGP-OAHLLOKOSA-N 354.414 0.741 0 50 FCAA O=C1CC[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)[C@H]([C@H]2CCCO2)N1 366558885 MEQCPSFOQOTERA-YXJHDRRASA-N 374.441 0.474 0 50 FCAA O=C(N[C@H](CCn1cncn1)c1ccccc1)N1CCS(=O)(=O)CC1 426389878 QVYJSHNPYNCCEG-OAHLLOKOSA-N 363.443 0.850 0 50 FCAA CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)Cn2ccccc2=O)n1 478739934 NHYVXTQPFOZVGR-KBPBESRZSA-N 374.420 0.438 0 50 FCAA C[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1nc(-c2ccccc2)no1 670473651 LRHWABJMZAHCNJ-JTQLQIEISA-N 355.354 0.625 0 50 FCAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)Cc3ccnn3C)C2)ccn1 888079180 IEKHNCWLHGTBBM-QGZVFWFLSA-N 357.414 0.674 0 50 FCAA COc1cccc(OC[C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)c1 952981476 ZLTKNKFMWMTQAP-ZDUSSCGKSA-N 369.377 0.873 0 50 FCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc(O)c(Cl)c1)C2 1073264179 RNSUVMPUCWNHSQ-KOLCDFICSA-N 359.835 0.937 0 50 FCAA O=C1CC[C@H](C(=O)N2CCCN(C(=O)c3ccc(F)c(O)c3)CC2)CN1 1529186051 UUJCROCPOGSBAZ-ZDUSSCGKSA-N 363.389 0.732 0 50 FCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1OC 1565512324 ANESDEYLZWJFQL-AAEUAGOBSA-N 359.400 0.405 0 50 FCAA Cc1noc(C)c1CCC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704299882 MXDZRPDRNLKCCV-JSGCOSHPSA-N 359.448 0.247 0 50 FCAA NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C3(O)CC3)C2)cc1 1772806373 XKPUMCFZTICYCD-GFCCVEGCSA-N 354.428 0.476 0 50 FCAA Cc1cncc(N2C[C@@H]3[C@H](CNC(=O)c4nonc4C)[C@H]4CC[C@]3(C2)O4)n1 1857736638 UTAJHVOBZRIGEX-HNSFDTNUSA-N 370.413 0.890 0 50 FCAA CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 6907184 VGVCTAXLJZOGTJ-ZIAGYGMSSA-N 359.382 0.963 0 50 FCAA biogenic CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 11937092 OBYPVVOVHGHCLC-OAHLLOKOSA-N 350.850 0.809 0 50 FCAA Cc1ncc(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cn1 12385645 KRUKJDFFJYTWQY-RTBURBONSA-N 368.485 0.937 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)CN1CCOc2ccccc2C1 67910192 GSJUUBZDIITYJM-IRXDYDNUSA-N 374.485 0.678 0 50 FCAA Cc1ccc2c(CC(=O)NCCN(C)S(C)(=O)=O)cc(=O)oc2c1 71315405 LZTVOGRYAXARSD-UHFFFAOYSA-N 352.412 0.652 0 50 FCAA COCC[C@@H]1CN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CCO1 71763309 MJDVSOZVRDGWOF-CQSZACIVSA-N 363.462 0.689 0 50 FCAA Cc1ccc(CN2CCN(C(=O)Cc3cnc(C)[nH]c3=O)CC2=O)cc1 72412232 CSYOHRZGZKCMBV-UHFFFAOYSA-N 354.410 0.800 0 50 FCAA O=C(N[C@@H]1CC[C@H](C(=O)N2CCSCC2)C1)c1ccn2nnnc2c1 72476427 RMTRJHCJHABMRO-QWHCGFSZSA-N 360.443 0.598 0 50 FCAA COc1ccc(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)c(OC)n1 77287285 DPWSFMDJQHCYGA-GFCCVEGCSA-N 373.413 0.449 0 50 FCAA COCCN1C[C@]2(CCCN(C(=O)CCCn3cncn3)C2)CCC1=O 77407653 VVGLXSQVVYKCSX-GOSISDBHSA-N 363.462 0.936 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C)CC1 91656960 NYVVDQRGBBIFCM-UHFFFAOYSA-N 361.538 0.494 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)CCn2cncn2)C1 91746779 LQMPDVDTMSLMQL-AWEZNQCLSA-N 369.433 0.448 0 50 FCAA COCCc1nc([C@H]2CC[C@@H](N)C2)n(-c2ccc(S(N)(=O)=O)cc2)n1 96163784 JGGOWGIEUPAURO-NWDGAFQWSA-N 365.459 0.698 0 50 FCAA CN1CCC(O)(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)CC1 97436934 CHBAGJAZCXYXFN-UHFFFAOYSA-N 355.442 0.787 0 50 FCAA CNc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)ccn1 212994427 RILKNJBXNKFZEH-OCCSQVGLSA-N 367.475 0.466 0 50 FCAA C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 229741328 UUGHHPJHYYXDDR-CVEARBPZSA-N 374.489 0.499 0 50 FCAA O=C(NCCc1nnc(C(F)(F)F)s1)[C@H]1CCCN(CCO)C1 244817091 SUDVRZIOOFQYAI-VIFPVBQESA-N 352.382 0.920 0 50 FCAA O=C(Cn1cnnn1)N1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 270596771 VGYJEHQVUJYVKY-MRXNPFEDSA-N 370.413 0.162 0 50 FCAA COCC(=O)N1CC[C@@H](NC(=O)CCc2cccc(OC)c2)[C@H](O)C1 299778276 ISFYIAAATMCXLS-HZPDHXFCSA-N 350.415 0.352 0 50 FCAA O=C(Cn1nc2ccccn2c1=O)N1CC[C@](O)(c2ccc(F)cc2)C1 375064581 JANXBFDWDVVCNM-GOSISDBHSA-N 356.357 0.755 0 50 FCAA NC(=O)C1(N2CCCCC2)CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 426382926 OGYPXLKMWISBDO-CQSZACIVSA-N 374.489 0.873 0 50 FCAA O=C(NCc1nc(Cc2cccs2)no1)N1CCS(=O)(=O)CC1 584889103 XDBWYUPIJPYGQL-UHFFFAOYSA-N 356.429 0.662 0 50 FCAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CCn3ncnc3C2)N1Cc1ccccc1 879519488 VDCGPQCYLAXNJE-LSDHHAIUSA-N 354.414 0.139 0 50 FCAA Cc1[nH]nc(O)c1CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565510052 ZAOVENJXPKTKOJ-STQMWFEESA-N 352.416 0.913 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)[C@@H](O)C1 1565530012 VQPITMITXHTSCZ-IRXDYDNUSA-N 371.441 0.126 0 50 FCAA COc1ccc(C)cc1C(=O)N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615736369 LMMHVQAOOIWYEU-OCCSQVGLSA-N 356.444 0.328 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(Cl)ccc1O 1704298886 KTCOUJBLEZIROO-JOYOIKCWSA-N 362.835 0.682 0 50 FCAA COc1cccc(NC(=O)N2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c1 1772814283 QXYPVHSCWAZDNJ-ZDUSSCGKSA-N 360.414 0.898 0 50 FCAA O=C(O)CN1CCO[C@]2(CCN(C(=O)c3cn(-c4ccccc4)nn3)C2)C1 1857691473 MRZKGZZIWVGTRQ-GOSISDBHSA-N 371.397 0.269 0 50 FCAA O=C(Cn1ccc2cc(F)ccc21)N1CCN2CCS(=O)(=O)C[C@@H]2C1 1875294039 LKRLDXNUOBIKQO-HNNXBMFYSA-N 365.430 0.722 0 50 FCAA CON1CCC(CC(=O)NS(=O)(=O)c2cnn(C)c2Cl)CC1 1875312382 AAOULUOFZNZBTJ-UHFFFAOYSA-N 350.828 0.542 0 50 FCAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NC3CCNCC3)nc12 1875350726 YMPABRROIIYMDL-UHFFFAOYSA-N 354.370 0.570 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@@H](C(=O)OCC)C2CCOCC2)CC1 1875363360 GZBXSMQCIOECHK-MRXNPFEDSA-N 352.431 0.886 0 50 FCAA CC(C)N(C)Cc1nnnn1CC(=O)NCCc1cn2ccsc2n1 11936560 XJGMBKOFMHRHHK-UHFFFAOYSA-N 362.463 0.581 0 50 FCAA COc1ccc(CN(CCO)CCO)cc1OC[C@@H](O)CN(C)C(C)C 11947819 DEBHACLMRZLLHE-KRWDZBQOSA-N 370.490 0.562 0 50 FCAA CCOc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 19533429 QUBLANWJZWVISP-UHFFFAOYSA-N 355.460 0.625 0 50 FCAA COc1cccc(CN2CCC[C@](O)(CNCCS(C)(=O)=O)C2=O)c1 67447383 UYXXHGMZYQAOMP-KRWDZBQOSA-N 370.471 0.183 0 50 FCAA COC(=O)c1ccccc1S(=O)(=O)N1[C@H]2CC[C@@H]1CC(=O)N(C)C2 67820396 CJKNTHRZHRXCDB-NEPJUHHUSA-N 352.412 0.857 0 50 FCAA Cc1ccn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)n1 71749637 IGXMLJIXLNLGQL-UHFFFAOYSA-N 351.384 0.900 0 50 FCAA Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c(=O)[nH]1 72171262 LTEKUHWYGBLSKK-OAHLLOKOSA-N 372.400 0.986 0 50 FCAA COc1ccc(CNC(=O)CN2C[C@@H]3CC[C@H](C2)N(C)C3=O)cc1OC 72406993 XUVDAJNSYIEAFK-LSDHHAIUSA-N 361.442 0.873 0 50 FCAA CN1CCCN(c2ncnc3c2CCN(C(=O)[C@@H]2CCOC2)CC3)CC1 72412359 CWBISYMVEZPGNX-OAHLLOKOSA-N 359.474 0.582 0 50 FCAA CC(C)N1CC2(CCC1=O)CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2 91288744 KDUBXTWZIZWTQH-UHFFFAOYSA-N 362.430 0.176 0 50 FCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cnnn1)C2 91943966 GVKPMFYQUOPEPI-UONOGXRCSA-N 373.417 0.318 0 50 FCAA Cc1nc(N)nc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1Cl 95502510 HQWVSBBJHOUJOC-NSHDSACASA-N 359.883 0.766 0 50 FCAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100118169 UEULCXCLKPGFQR-UDRKCNRUSA-N 352.390 0.601 0 50 FCAA CCn1c(S)nc2cc(C(=O)N[C@H]3CC[S@@](=O)C3)ccc2c1=O 170651687 JWQUKFIDNRKWFD-SDWAUSNYSA-N 351.453 0.956 0 50 FCAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(S(N)(=O)=O)CC2)n1 216209129 DJKTXSCJHJHWMW-UHFFFAOYSA-N 367.450 0.949 0 50 FCAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(C3CC3)[nH]n1)C2 219310696 NIBPIXCOMPWNLR-YPMHNXCESA-N 367.475 0.630 0 50 FCAA CCSCCC(=O)N1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 223131428 GVVJFCKHJOEKES-CQSZACIVSA-N 354.476 0.880 0 50 FCAA NC(=O)CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 223961110 QZNTUHLESQGOAI-VXGBXAGGSA-N 366.798 0.417 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCCNC2)cc1 244840204 UIMONCDMQYQKHK-MRXNPFEDSA-N 355.460 0.219 0 50 FCAA Cc1noc(C)c1S(=O)(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 244873181 WLICOUYFMKLHDN-XYPYZODXSA-N 367.431 0.935 0 50 FCAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CN1C(=O)COc3cccnc31)C2 248024267 VPUWEHQTLNFPQS-KGLIPLIRSA-N 372.425 0.666 0 50 FCAA CSCC[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252538950 NKWKOYLHRITCKJ-ZIAGYGMSSA-N 365.455 0.932 0 50 FCAA Cn1cccc1-c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C 283671402 ZMKXPCUMFHFCHW-ZDUSSCGKSA-N 364.475 0.825 0 50 FCAA O=C(NCCN1CCCOC1=O)c1ccc(C(=O)N2CCOCC2)cc1 299756055 CBBBKLPDEBIPOU-UHFFFAOYSA-N 361.398 0.731 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](c2nc(C)no2)C1 299783253 ZIHKMVAZHGGVCW-SNVBAGLBSA-N 366.399 0.664 0 50 FCAA CC(C)Oc1ccc(N2C[C@@H](C(=O)NCCc3nnn[nH]3)CC2=O)cc1 299784706 ZZTJRFBJWSWDAL-LBPRGKRZSA-N 358.402 0.699 0 50 FCAA CNC(=O)c1ccc(S(=O)(=O)NCCc2nc(C(=O)O)cs2)cc1 325809815 KACWJTAEHCHBIM-UHFFFAOYSA-N 369.424 0.722 0 50 FCAA CN(CC(N)=O)C[C@H]1CN(C(=O)c2cccc(-n3cccc3)c2)CCO1 364707247 OTKIDCGOCSGDTC-KRWDZBQOSA-N 356.426 0.735 0 50 FCAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)NCCCc1ccc(OC)cc1 426370497 MBHHFVQQUUGXIJ-HNNXBMFYSA-N 362.430 0.274 0 50 FCAA CN(Cc1ccc2nonc2c1)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426387074 KAGAKQKQYIDZNO-CYBMUJFWSA-N 370.413 1.557 0 50 FCAA CC(C)CN(Cc1cnn(C)c1)C(=O)NCCSc1nnnn1C 426428414 VLDWXOPLHRIRPI-UHFFFAOYSA-N 352.468 0.904 0 50 FCAA CC(=O)N1CC[C@@H](NC(=O)CN2CCN(c3cccc(C)c3)CC2)[C@H](O)C1 426716829 GWEABXOHOKEVGG-RTBURBONSA-N 374.485 0.215 0 50 FCAA CN1C[C@H](NC(=O)N2CCN(c3ccc(F)cc3F)CC2)C[C@H]1C(=O)O 670435785 UWRMGNLSNDCDPN-DOMZBBRYSA-N 368.384 0.954 0 50 FCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)Cn1cc2ccccc2n1 818366130 DUZKMSFJCBZNPR-AWEZNQCLSA-N 353.386 0.093 0 50 FCAA Cc1cnn(C)c1S(=O)(=O)NCc1cc(O[C@H]2CCNC2)ccn1 842901785 PXBOWXITVJOJSM-AWEZNQCLSA-N 351.432 0.343 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc(-n3ccnn3)cc1)C2 952851719 SWOVFVVVYSETLW-KDOFPFPSSA-N 355.398 0.492 0 50 FCAA Cc1ccc([C@H]2CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@@H]2N(C)C)cc1 1565509491 ALRQNRKCSPOFTK-WBVHZDCISA-N 370.453 0.562 0 50 FCAA COCc1nocc1CN1CCC(=O)N(Cc2nc(N(C)C)n[nH]2)C1=O 1775996713 FMMXCWWWHIQYKO-UHFFFAOYSA-N 363.378 0.360 0 50 FCAA O=C(O)CN1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1875241963 IEQSWIQDVXRUGQ-MRXNPFEDSA-N 361.442 0.963 0 50 FCAA COc1ccc(CN2C[C@H](C(=O)N[C@H](CC(=O)O)C(=O)O)CC2=O)cc1 1875345680 FSYYISGKZWDAKI-DGCLKSJQSA-N 364.354 0.088 0 50 FCAA C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CC[C@H]1N 1875350128 BRRNEXKNBBKHIV-GHMZBOCLSA-N 368.397 0.898 0 50 FCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc(N2CCNC2=O)cc1 1875403278 RVUFOSOVHZKVCJ-IAOVAPTHSA-N 369.425 0.982 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)NCCCc2ncc[nH]2)C[C@H]1O)C1CCOCC1 2100555111 MFWAZZUQFPWMLK-RRFJBIMHSA-N 364.446 0.141 0 50 FCAA CN1CCN(C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)C[C@H]1CO 2356138458 CBHDNJULWXUKOV-INIZCTEOSA-N 371.437 0.713 0 50 FCAA C[C@]1(O)CC2(CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)OC[C@@H]1O 2356157147 BYFCUKALMZASKF-YJBOKZPZSA-N 361.442 0.845 0 50 FCAA CCS(=O)(=O)N[C@@H]1CC[C@H](C(=O)N2CCc3nocc3C2)C[C@H]1OC 2356164416 RVFRIMGNLRSAFF-NILFDRSVSA-N 371.459 0.682 0 50 FCAA COC(=O)c1nc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n[nH]1 945066 UMZFIPHAVPTXOY-NSHDSACASA-N 371.353 0.851 0 50 FCAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)cc1 3984280 NHBUVZYGYGFQGD-UHFFFAOYSA-N 369.381 0.354 0 50 FCAA biogenic O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1csnn1 55342379 WWXNFRDMGNKISY-UHFFFAOYSA-N 361.427 0.852 0 50 FCAA Cc1ccc2nc(COCC(=O)N3CCn4c(C(N)=O)cnc4C3)[nH]c2c1 67713906 FPSWSJSHJRIZOE-UHFFFAOYSA-N 368.397 0.726 0 50 FCAA CCOCCn1nc(C)cc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1 72166143 MXOKEFZVKRIOCD-MRXNPFEDSA-N 363.462 0.264 0 50 FCAA COC[C@@H]1CCN(Cc2cc3n(n2)CCN(C(=O)Cc2ncccn2)C3)C1 72423648 SDELFNCLJGMYDK-OAHLLOKOSA-N 370.457 0.726 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCCN(CCCc2ccccc2)CC1 72480594 PFUOLWAGIBFGAC-UHFFFAOYSA-N 370.453 0.704 0 50 FCAA O=C(NCc1ccc(F)c(F)c1)c1cn(CCN2CCNCC2)nn1 77378080 ZTNRVTBRCHHTII-UHFFFAOYSA-N 350.373 0.392 0 50 FCAA O=C(c1cnccn1)N1CCC(NCc2cc3n(n2)CCCNC3)CC1 82108871 OOADTRLKRVALCQ-UHFFFAOYSA-N 355.446 0.561 0 50 FCAA CN(CC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1)Cc1ccccn1 91444763 YCXJBOPVMQQABA-HXUWFJFHSA-N 374.485 0.737 0 50 FCAA N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)N3CCSCC3)cc2)C1 91847015 IIMAIANJCPGFTG-ZDUSSCGKSA-N 355.485 0.597 0 50 FCAA COCC(=O)N1CCCN(C(=O)[C@@H](c2cccnc2)N2CCCC2)CC1 95364709 YEUQUTVTNOQKGF-GOSISDBHSA-N 360.458 0.926 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]c1)CC2 95501709 TWJSHYTVGGXRDI-UHFFFAOYSA-N 357.414 0.900 0 50 FCAA Cn1c(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc(=O)n(C)c1=O 95512416 GRLGAMMBHOXFPM-AWEZNQCLSA-N 363.801 0.951 0 50 FCAA CCCCN(C)S(=O)(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O 189162502 OTYNMXFAOULPKC-ZDUSSCGKSA-N 357.480 0.965 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)NCc2cccc(CN3CCCC3)c2)c1=O 220265151 MFRDIEFJGNRLTB-UHFFFAOYSA-N 356.426 0.528 0 50 FCAA Cn1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(=O)[nH]c1=O 222774620 HCZQDSNSPWRMEX-NSHDSACASA-N 354.370 0.136 0 50 FCAA Cn1ccnc1[C@@](O)(CCNC(=O)CNC[C@H]1CCCO1)C(F)(F)F 237902194 LBUXUVONRFLHSA-RISCZKNCSA-N 364.368 0.445 0 50 FCAA Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cccc(C(N)=O)c2)cn1 275316974 OLGQJEZYLWPFOQ-LSDHHAIUSA-N 364.427 0.718 0 50 FCAA O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299796609 OYUWWCDWBTWVCN-WMZOPIPTSA-N 365.393 0.965 0 50 FCAA O=C(C1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC(n2cnnc2)CC1 426521164 FCVLJIRRIAXRDI-INIZCTEOSA-N 361.446 0.859 0 50 FCAA COc1ccc(CCN(C)C(=O)NCCS(=O)(=O)N(C)C)cc1OC 534590900 MOSQMTPTFTZGTR-UHFFFAOYSA-N 373.475 0.779 0 50 FCAA Cc1cc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n2nc(C)nc2n1 894753545 KAACJRPPHJMGHA-AWEZNQCLSA-N 364.475 0.440 0 50 FCAA Cn1ccnc1CN1CCN(Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565528364 HFTFQBSUAALWSS-JKSUJKDBSA-N 361.471 0.299 0 50 FCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc3n(n1)CCN(C)C3=O)C2 1857666262 SYPAEBGZXXEZCA-GFCCVEGCSA-N 370.409 0.958 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1cccc3c1OCCO3)C2 1875241476 WZWRFWJQSAMAMK-STQMWFEESA-N 354.428 0.409 0 50 FCAA CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2cc3ccccn3n2)ncn1 1875397651 IWDILVKSMQUDRS-HZPDHXFCSA-N 353.430 0.895 0 50 FCAA C[C@]1(F)CN(C(=O)[C@@H]2C[C@H]2F)CCN(C(=O)C2(n3ccnn3)CC2)C1 1875405172 WSGUTYMVMHVFRT-JMSVASOKSA-N 353.373 0.524 0 50 FCAA COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c(OC)c1 4177059 CQLOKDOELMJIBO-MRXNPFEDSA-N 373.413 0.865 0 50 FCAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)n[nH]1 72137315 PRXHPKUBEHRRBK-AWEZNQCLSA-N 360.393 0.259 0 50 FCAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc4nnnn4c3)C2)n1C 72430084 OHBXDSFMGORTIU-LBPRGKRZSA-N 369.433 0.334 0 50 FCAA Cc1cc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)nc2[nH]nc(O)c12 72431276 IXRIBEVUWNRSIX-UHFFFAOYSA-N 370.369 0.842 0 50 FCAA Cc1cc(=O)cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)o1 91625188 IZJALLAKWYVXFH-IBGZPJMESA-N 364.442 0.884 0 50 FCAA COCCc1nc([C@@H]2CNCCO2)n(-c2cc(=O)n(C)c3ccccc23)n1 97574945 ZAASBSUBHOQSTE-INIZCTEOSA-N 369.425 0.969 0 50 FCAA O=C(NCCc1ccc2c(c1)OCCO2)c1cn(C2CCNCC2)nn1 171496830 GKJRWTRHNAGFHE-UHFFFAOYSA-N 357.414 0.946 0 50 FCAA CS(=O)(=O)N1CCC[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 216131476 VDEGLWZVHYSAAV-CYBMUJFWSA-N 363.443 0.669 0 50 FCAA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1ccc2nnnn2c1 223608121 POQFZNHMUIBEDL-XYPYZODXSA-N 354.374 0.219 0 50 FCAA Cc1cc(N2CCN(C(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)CC2)ccn1 223937080 NIAMBAAJLHAMPC-CQSZACIVSA-N 356.430 0.196 0 50 FCAA CC(C)CNS(=O)(=O)CCCCS(=O)(=O)N(C)c1cnn(C)c1 241644604 PSBVPSZOAONCIY-UHFFFAOYSA-N 366.509 0.542 0 50 FCAA Cc1nc2cc(=O)[nH]n2c(O)c1CCC(=O)N[C@@H](CO)c1ccccc1 252527682 DDMPQSNXERHUMY-AWEZNQCLSA-N 356.382 0.819 0 50 FCAA O=C(O)[C@H]1CCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 262719492 UUPNURKADNQJBI-CQSZACIVSA-N 357.366 0.134 0 50 FCAA COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCO[C@H](C(=O)O)C2)CC1=O 262928268 GAKRKKVNXODBLT-WFASDCNBSA-N 362.382 0.669 0 50 FCAA CNS(=O)(=O)CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275511350 BPWNLFJJWKARHL-CYBMUJFWSA-N 357.501 0.768 0 50 FCAA CC(=O)c1cc(CN2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)n(C)c1 299759451 RXIASSUXDXXTDL-NVXWUHKLSA-N 360.414 0.889 0 50 FCAA Cc1nc(NC(=O)CN2CCC(N3CCOCC3)CC2)sc1C(=O)O 299799911 VWUPXMQXDCNBAF-UHFFFAOYSA-N 368.459 0.885 0 50 FCAA CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)S(=O)(=O)C2COC2)CC1 330205855 DTAXWHLZIYWIQN-IRXDYDNUSA-N 359.536 0.984 0 50 FCAA O=S1(=O)CC[C@@H](S(=O)(=O)NCc2nncn2C2CCCCC2)C1 828395634 SCBBCGIAZMFMFN-GFCCVEGCSA-N 362.477 0.390 0 50 FCAA COc1ccc([C@H]2CN(S(=O)(=O)N3CCOCC3)C[C@@H]2N(C)C)cc1 1565516946 IXWWNKLWIHLDGO-SJORKVTESA-N 369.487 0.602 0 50 FCAA COc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(F)c1 1704306528 VWAFCXXKHQFCCS-HZMBPMFUSA-N 360.407 0.471 0 50 FCAA O=C1CN(C(=O)c2cc(N3CCOCC3)no2)C[C@H](Cc2ccccc2)N1 1772819309 IHHPLPWMYLPTBX-HNNXBMFYSA-N 370.409 0.695 0 50 FCAA Cc1cc(C)n(CC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c(=O)n1 1857741650 RODCUKLGKVGHAZ-KHYOSLBOSA-N 374.441 0.444 0 50 FCAA Cn1cc(N2CCC[C@H](NC(=O)c3ccc4ncn(C)c4n3)C2=O)cn1 1875270771 TYHUUELZGIQGNB-AWEZNQCLSA-N 353.386 0.627 0 50 FCAA CC[C@@H](SC)C(=O)NCC1(C(N)=O)CN(C(=O)[C@]2(C)CCCS2)C1 1875345921 MVIKEKSOARJOJJ-ABAIWWIYSA-N 373.544 0.844 0 50 FCAA O=C1C[C@@H](C(=O)NCc2cn(C3CC3)c(=O)nc2O)Oc2ccccc21 1875359960 UZPMLLKDIXXLKN-HNNXBMFYSA-N 355.350 0.934 0 50 FCAA Cc1ncncc1C(=O)NCC12CC(C(=O)N(C)C)(C1)C1(CCNCC1)O2 1875393140 HODAYDHWVGKRTR-UHFFFAOYSA-N 373.457 0.274 0 50 FCAA Cc1nc(C(=O)N2CCNCCC23CCC3)nc(N2CC[C@@H](N)C2)c1C 1875401811 SOPLKRNMGJTRHG-OAHLLOKOSA-N 358.490 0.989 0 50 FCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 1940197427 PQPAVWFMHGHMDJ-OCCSQVGLSA-N 358.442 0.589 0 50 FCAA O=C(Cc1cccnc1)NCc1cc(CNC(=O)Cc2cc[nH]n2)ccn1 2100477194 NZCCRRPGMVHYCI-UHFFFAOYSA-N 364.409 0.918 0 50 FCAA CC(C)N(CC(=O)N1CCC1)C[C@@H]1CCCN(CC(=O)N2CCC2)C1 2325739884 SONCZQPDSZOKBN-QGZVFWFLSA-N 350.507 0.873 0 50 FCAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)NC4CC4)cc3C2=O)C(=O)N1 2325886751 HSMBDULIUPVDJW-AWEZNQCLSA-N 356.382 0.409 0 50 FCAA Cn1[nH]c(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)nc1=O 2356146515 JKKQVIBIKIWUGL-SFHVURJKSA-N 370.413 0.301 0 50 FCAA N[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356158883 CVRJQKDTHDPPTP-HNNXBMFYSA-N 351.414 0.623 0 50 FCAA COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1OC 20727028 CDOVCPNVWALHLQ-UHFFFAOYSA-N 357.476 0.620 0 50 FCAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@H](N2CCCC2)C1 171442596 GJSVDIHBAKFKPU-AWEZNQCLSA-N 357.462 0.953 0 50 FCAA CCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C(C)(C)C1 328677624 ASQUKQOTTUVQIU-UHFFFAOYSA-N 355.464 0.547 0 50 FCAA CCc1noc(C)c1CN1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 328630412 JIYVOCVHYPLNAY-CQSZACIVSA-N 361.446 0.976 0 50 FCAA COCc1nn(CC(=O)N2CCCC2)c(=O)n1-c1ccc2c(c1)OCO2 77375318 LTGFBWLXQAGGMB-UHFFFAOYSA-N 360.370 0.532 0 50 FCAA N[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 262512600 ONCOFXXNGPPXST-CYBMUJFWSA-N 368.455 0.961 0 50 FCAA O=C(NCC1(C(=O)O)CCOCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 261773989 XFWZWQKEFUOWDD-VIFPVBQESA-N 352.309 0.395 0 50 FCAA O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1)N1CCOCC1 333308690 RHEGDTPIZQYUNL-BRWVUGGUSA-N 373.457 0.883 0 50 FCAA CC(=O)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82147092 UKCMBRXQKPNMAF-QGZVFWFLSA-N 372.469 0.990 0 50 FCAA COCCc1noc([C@H](C)NC(=O)c2cc(-n3cnnn3)ccc2O)n1 221451824 VCDHHNYIBAFACH-VIFPVBQESA-N 359.346 0.431 0 50 FCAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CSc2ncccn2)C1 95501439 SXOOTGUATHKKIC-LBPRGKRZSA-N 360.443 0.657 0 50 FCAA CC1(C)OC(=O)N(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)C1=O 95531653 CJPWUQOTYFBBDN-GFCCVEGCSA-N 350.375 0.258 0 50 FCAA NC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCSCC3)c2)C1 95370791 DXAQPUBMOAPCEQ-CYBMUJFWSA-N 369.512 0.845 0 50 FCAA Cc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)c(F)c1 96141108 SYXNOCCKANEECL-CZUORRHYSA-N 356.419 0.912 0 50 FCAA NC(=O)C1(N2CCCCC2)CCN(c2cc([C@H]3C[C@@H](N)C3)nc(N)n2)CC1 243901267 BAPRKRNGFQYCSL-OKILXGFUSA-N 373.505 0.574 0 50 FCAA COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H]2CCCNC2)c1 299750002 MIVAYWKBSPXPIE-GFCCVEGCSA-N 360.418 0.638 0 50 FCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)C1 252431014 YHMVZSQMXAVMIT-PWSUYJOCSA-N 371.381 0.907 0 50 FCAA CN(CCNC(=O)c1cccc(-c2cnc3ncnn3c2)c1)S(C)(=O)=O 584900832 OUJFIQPIERLMNB-UHFFFAOYSA-N 374.426 0.413 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccccc2-c2ncc[nH]2)[C@@H](O)C1 1565509742 AQZAFELQOCWIRH-HOTGVXAUSA-N 371.441 0.330 0 50 FCAA O=C(Cn1cnnn1)NCC1CCN(c2nc(-c3ccccc3)no2)CC1 952872216 LJRQLIWNQKFKHM-UHFFFAOYSA-N 368.401 0.756 0 50 FCAA O=C(O)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccc2c(c1)OCO2 216714475 UFAROYNIKJYMKA-OLZOCXBDSA-N 360.366 0.664 0 50 FCAA O=C(N[C@H]1CCN(C(=O)CSc2ccncc2)C[C@@H]1O)c1ccncc1 216970032 LTDNOTDUCSRZBM-HOTGVXAUSA-N 372.450 0.961 0 50 FCAA COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 11878564 SLFIQDJJOKLKEV-OAHLLOKOSA-N 365.405 0.586 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1 12592102 WQVJZHJZEOUSDN-OAHLLOKOSA-N 359.405 0.873 0 50 FCAA COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 19111458 QGBKNAHXKMVDPF-OAHLLOKOSA-N 365.405 0.586 0 50 FCAA CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)N(C)CCN2CCNCC2)c1 1875263783 ZLUVRRXZLVOIEI-UHFFFAOYSA-N 371.507 0.022 0 50 FCAA C[C@H](NC(=O)COc1ccccc1)C(=O)NC1(CC(N)=O)CCOCC1 1875252434 HGOIULDCGDNNSB-ZDUSSCGKSA-N 363.414 0.111 0 50 FCAA C[C@H]1CC(=O)NC[C@H]1C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O 1875301777 UHWVIHATKWIHOE-SWLSCSKDSA-N 357.410 0.903 0 50 FCAA CN1CCC[C@H](N2CC(NC(=O)c3cnn(C)c3-n3cccc3)C2)C1=O 1775962660 YSPAOQDSANDAKY-HNNXBMFYSA-N 356.430 0.246 0 50 FCAA CC(=O)N1C[C@@H](C)c2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3C(=O)NC4)cc21 2325789121 RKWUPCWOICVSJJ-GMXABZIVSA-N 363.439 0.808 0 50 FCAA CCOC(=O)Cc1nc(CNC(=O)c2cccc3c2OCCN3C)no1 2325821180 OEQJLSLFVUEAOO-UHFFFAOYSA-N 360.370 0.934 0 50 FCAA CNC(=O)c1cc(NC(=O)c2ccc3ncnn3c2)cc(C(=O)NC)c1 2325872884 QIMKXITUWFJCSI-UHFFFAOYSA-N 352.354 0.701 0 50 FCAA Cn1c(=O)c2c(nc(NCCO)n2CCCc2ccccc2)n(C)c1=O 2099586 JFDUQJMTVIZUFP-UHFFFAOYSA-N 357.414 0.471 0 50 FCAA biogenic C[C@H]([C@@H](O)c1ccccc1)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4892905 MGXSHFGBKOWNLN-CZUORRHYSA-N 371.441 0.488 0 50 FCAA O=C(CCC1CCN(C(=O)CN2CCOC2=O)CC1)NC[C@@H]1CCCO1 12575352 PVEGBVMVRFRFNZ-HNNXBMFYSA-N 367.446 0.753 0 50 FCAA OC1CCN(C[C@H](O)COc2cccc(CNCCn3cccn3)c2)CC1 14977614 WUFGESOYVIVCIK-IBGZPJMESA-N 374.485 0.869 0 50 FCAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)nn2)n1 65362701 CSBBUFXSNRENKU-UHFFFAOYSA-N 365.463 0.208 0 50 FCAA COc1cccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 67604536 VNEUIPJWDPOZHK-ZDUSSCGKSA-N 355.460 0.624 0 50 FCAA CCn1nc(C(=O)O)c2c1CCN(C(=O)C[C@@H]1CN(C(C)C)CCO1)C2 67786094 IWEXBTUSZCJJAS-CYBMUJFWSA-N 364.446 0.985 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3n[nH]c(=O)[nH]3)cnn2c1 67974340 AJFPUOMQPFBETI-JTQLQIEISA-N 358.406 0.474 0 50 FCAA COc1ccc2[nH]c(=O)c(CN3CCN[C@H](C(=O)N4CCCC4)C3)cc2c1 72168018 PIOHXBLPWJAFKZ-SFHVURJKSA-N 370.453 0.933 0 50 FCAA O=C(CO)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72169747 FXESMRMGKBBTTB-MRXNPFEDSA-N 361.442 0.516 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](COc2ccc(F)cc2)C1 72458727 JKBRORLAJDWXPO-ZDUSSCGKSA-N 361.373 0.993 0 50 FCAA COc1ccccc1CC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 77299026 HLOGRGKKPQSIRX-AWEZNQCLSA-N 356.426 0.974 0 50 FCAA CCCc1cnc(C)nc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 77338070 DCAUFVRYUBXXDC-GDBMZVCRSA-N 356.430 0.897 0 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CC(=O)N1CCOC[C@H]1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 155037249 RWFDMBGCIYMOSC-AWEZNQCLSA-N 352.822 0.631 0 50 FCAA Cc1cc(N2CCN(C(=O)CSc3nc(C)n[nH]3)CC2)n2ncnc2n1 219320187 BZXHUEKKZLBGQP-UHFFFAOYSA-N 373.446 0.300 0 50 FCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)C1CCN(C(=O)Cc2ccccc2)CC1 221161382 PORALQRHUQKFQU-UHFFFAOYSA-N 370.409 0.161 0 50 FCAA O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 225425076 DTJSIRVEYAVXOU-ZJUUUORDSA-N 356.366 0.338 0 50 FCAA CNC[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 237320144 UJDQBGIVJMUVMD-LLVKDONJSA-N 364.464 0.849 0 50 FCAA CN1C(=O)C[C@@H](C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1(C)C 244719006 LUXRERILMGARTM-ZDUSSCGKSA-N 359.430 0.086 0 50 FCAA O=C1NCCN2CCN(C(=O)Nc3ccnn3Cc3cccc(F)c3)C[C@H]12 299781066 DDBDOVUZEVIECJ-OAHLLOKOSA-N 372.404 0.718 0 50 FCAA Cc1noc(C)c1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 299793308 IJOZYPLWLNZYIU-UONOGXRCSA-N 362.430 0.372 0 50 FCAA Cc1nn(C)c(C)c1[C@H]1[C@H](CNc2nccn(C3CC3)c2=O)CC(=O)N1C 328613547 SHIJSYHYNVEAML-SUMWQHHRSA-N 370.457 1.560 0 50 FCAA C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)O1 328629291 ICTXYKOMBIVAME-SNPRPXQTSA-N 363.462 0.848 0 50 FCAA Cn1cnn(CC(=O)N2CCOc3c(Br)cccc32)c1=O 331945123 MSIQPDAXOVTSRC-UHFFFAOYSA-N 353.176 0.770 0 50 FCAA CN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCN2C1=O 373299167 MIRCNRZUWYXHRW-HZPDHXFCSA-N 356.426 0.613 0 50 FCAA CSc1ccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)cc1 426666933 DEEOCDUZQJGUED-HUUCEWRRSA-N 351.472 0.662 0 50 FCAA CC(C)n1ncnc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 486318210 JTPBWKQACFFPAA-AWEZNQCLSA-N 353.467 0.943 0 50 FCAA Cc1ncn(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C 825284877 XSMCIIQLBIPNEF-UHFFFAOYSA-N 357.457 0.882 0 50 FCAA CNC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 952972339 IBGFCSMLLMLIGS-CYBMUJFWSA-N 353.444 0.412 0 50 FCAA Cc1noc(C)c1CN1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 1565512171 APOIVYOSTPDHNS-IRXDYDNUSA-N 361.446 0.709 0 50 FCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cn(C)cn3)C2)c1C 1857528619 VPEOYBAZXFRJRA-CQSZACIVSA-N 357.462 0.897 0 50 FCAA Cn1nnc([C@H]2CN(c3ncccc3C(=O)N3CCCCC3)CCO2)n1 2100473616 MLKZSDOUGRAUQX-CQSZACIVSA-N 357.418 0.809 0 50 FCAA O=C1CC[C@@H](N2Cc3ccc(CN=c4cncc[nH]4)cc3C2=O)C(=O)N1 2325897826 JWKUGALLFURJRK-CQSZACIVSA-N 351.366 0.272 0 50 FCAA Cn1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)CCO2)n1 2356158142 YELPETZPQRTLQB-NSHDSACASA-N 361.786 0.765 0 50 FCAA Cc1cccc(Cn2c(SCCO)nc3c2c(=O)n(C)c(=O)n3C)c1 1830173 OAZBNOSIJXGXLJ-UHFFFAOYSA-N 360.439 0.875 0 50 FCAA O=C(O)CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O 2879561 ROGAJZHDVHKHCG-GFCCVEGCSA-N 370.383 0.410 0 50 FCAA CCOC(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN2CCCC2)C1 12303843 HILJCVUCKTXMTP-ZDUSSCGKSA-N 350.423 0.071 0 50 FCAA CC(=O)Oc1c(C)cc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1C 16265104 KNVAQFZKWVPNQU-QPEQYQDCSA-N 357.391 0.909 0 50 FCAA CCc1nc(NC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)nn1C 20820983 BLLDIUYGNIEKGC-LBPRGKRZSA-N 350.423 0.623 0 50 FCAA CNC(=O)[C@H]1CCN(Cc2ccc(C(=O)Nc3nc(C)n(C)n3)cc2)C1 65372086 FITVJHQSPLPVRE-HNNXBMFYSA-N 356.430 0.944 0 50 FCAA CN(C)CCCN(C)C(=O)C[C@H]1COCCN1C(=O)C(=O)c1ccco1 72431527 NJFQYLBFXLJJOE-AWEZNQCLSA-N 365.430 0.490 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]3C1=O 77301419 MFNIRMNUUPCNRN-XLSPSMHOSA-N 371.437 0.511 0 50 FCAA CCc1nc(CN2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77393194 GOKRZRGPBYLBSB-NWDGAFQWSA-N 359.473 0.073 0 50 FCAA Cc1nc(CC(=O)N2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cs1 77522129 GSCZUKZRCLNXER-HUUCEWRRSA-N 360.439 0.781 0 50 FCAA O=C(CCc1cc2n(n1)CCN(c1ncnc3sccc13)C2)NCCO 82114835 WDOBXZJXSSIEQX-UHFFFAOYSA-N 372.454 0.949 0 50 FCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2ccc(Cl)s2)[C@@H]3C1=O 97638031 XAIUTPXILXGDLR-VFFTVRQLSA-N 369.874 0.982 0 50 FCAA CS(=O)(=O)[C@H]1CCCCN(C(=O)CNC(=O)Cc2cccc(F)c2)C1 170614987 BGMCBHZRDIXDOR-HNNXBMFYSA-N 370.446 0.910 0 50 FCAA CN1C[C@]2(CCCN(C(=O)c3ccc(-n4cnnn4)cc3O)CC2)OC1=O 215516459 OEJXKHUDZIVHNH-QGZVFWFLSA-N 372.385 0.815 0 50 FCAA O=C(c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 225502598 MEJIYWCJRSKVAE-CQSZACIVSA-N 368.430 0.935 0 50 FCAA CSCC[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2ccco2)C1=O 252533172 GDAGUZXGQPUPAF-PWSUYJOCSA-N 355.416 0.525 0 50 FCAA CC(C)N1CC[C@@H](C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)C1 299756296 LDYAAOKAMPDRPV-CYBMUJFWSA-N 369.491 0.005 0 50 FCAA COc1nccnc1-c1cccc(C(=O)NCCS(=O)(=O)N(C)C)c1 299795122 LUNNXCGNNAVFGZ-UHFFFAOYSA-N 364.427 0.773 0 50 FCAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)CNS(C)(=O)=O 328628486 HHYOQHCULSCZJP-RYUDHWBXSA-N 363.480 0.668 0 50 FCAA Cn1nnnc1N1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 363777079 NFLNTGSBSWVEEO-OAHLLOKOSA-N 358.402 0.340 0 50 FCAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCN(c2ncccn2)CC1 426589894 BWFVLEWDBPPSGT-HNNXBMFYSA-N 355.446 0.489 0 50 FCAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCN(c2ncccn2)CC1 426589895 BWFVLEWDBPPSGT-OAHLLOKOSA-N 355.446 0.489 0 50 FCAA COc1cccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)c1 426621587 IDTLOLVRTYMDAA-UHFFFAOYSA-N 350.444 0.957 0 50 FCAA COC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 850638483 XFKBYZOKGKDKQQ-FZMZJTMJSA-N 374.397 0.931 0 50 FCAA Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)c1cc(F)cc3nn[nH]c13)C2 952849402 OXEZJRJYENDHIX-NSHDSACASA-N 358.381 0.583 0 50 FCAA COc1ccccc1N1C[C@H](C(=O)N(CCO)Cc2nccn2C)CC1=O 952977022 ROKVLSIIEHPTBX-CQSZACIVSA-N 372.425 0.803 0 50 FCAA COc1cccc([C@H]2CN(c3cc(N)nc(N)n3)C[C@@H]2C(=O)O)c1OC 1565516263 XOBROKKNIWESME-MNOVXSKESA-N 359.386 0.963 0 50 FCAA O=C(N[C@H]1CCCN(C(=O)c2cccs2)C1)c1cc(-n2cnnn2)n[nH]1 1857678388 FKNQNKVPLWEHPZ-JTQLQIEISA-N 372.414 0.482 0 50 FCAA NC(=O)Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2ccc(F)cc2F)n1 1857713502 YKSDFEOXEPHWDP-SECBINFHSA-N 359.340 0.895 0 50 FCAA Cn1cc(COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cn1 1875326883 QBJIXFDKKTUJQN-CQSZACIVSA-N 368.349 0.400 0 50 FCAA CN(C)S(=O)(=O)CC1(O)CCN(c2cc(Cl)nnc2O)CC1 1875356850 VUHTZHBYOAPYBK-UHFFFAOYSA-N 350.828 0.058 0 50 FCAA C=CC(=O)N1CCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C1 1875380857 CFBZXZGLVNYEIC-HXPMCKFVSA-N 370.409 0.600 0 50 FCAA Cn1nnnc1[C@H]1CN(C(=O)COCc2nc3ccccc3[nH]2)CCO1 2100539548 NOZBEORLKYYWDS-CYBMUJFWSA-N 357.374 0.203 0 50 FCAA Cc1ccnc2c(S(=O)(=O)N3CC(=O)N4CCOC[C@H]4C3)cccc12 2325783902 JSDZWSWOMUSIBB-CYBMUJFWSA-N 361.423 0.775 0 50 FCAA CCCN(CCN=c1nnc(CC)c(CC)[nH]1)C(=O)[C@@H]1COCCN1C 2325793277 NXLYQJXQXHAXKO-INIZCTEOSA-N 364.494 0.399 0 50 FCAA CN(C)Cc1ccc2c(c1)CCN(C(=O)c1c[nH]nc1-n1cnnn1)C2 2325811314 ONRPYMVKINHTQW-UHFFFAOYSA-N 352.402 0.646 0 50 FCAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1ccccc1-n1ccnn1)C2 2325849527 SGAASKPGOJFNIT-KBXCAEBGSA-N 355.398 0.635 0 50 FCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@]23CCCNC3=O)cc1 2356146397 DMBBYRMXSYOZAO-INIZCTEOSA-N 351.428 0.480 0 50 FCAA CCN1C(=O)CO[C@H]2C[C@@H](C(=O)NCc3cccc4ncnn34)CC[C@@H]21 2356154221 NEALNCWKRKSVTC-QEJZJMRPSA-N 357.414 0.762 0 50 FCAA O=C(NCCN1CCNC1=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356166734 LPWIUMRMAWPGLR-UHFFFAOYSA-N 364.471 0.655 0 50 FCAA C[C@H](c1ccccc1)n1c(N2CCN(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 796283 AXRQHNKTAMWTDL-CYBMUJFWSA-N 368.441 0.784 0 50 FCAA O=C(Nc1ccc2c(c1)CN(C(=O)Cn1cncn1)CC2)[C@H]1CCCO1 12570629 QDDIUCLHXFMPGH-MRXNPFEDSA-N 355.398 0.981 0 50 FCAA CN(Cc1c(Br)cnn1C)C(=O)c1nn(C)cc1C(=O)O 20614904 QQIDGIHKYUPBQW-UHFFFAOYSA-N 356.180 0.887 0 50 FCAA CC[C@@H]1C(=O)N(C)CCN1Cc1cn(CCN2CCN(C)CC2)nc1C 65385563 OCSVWMRXSAXQMJ-GOSISDBHSA-N 362.522 0.492 0 50 FCAA O=C1NCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)[C@H]1CCO 67605704 UYMZFIOJWSUJFK-AWEZNQCLSA-N 362.361 0.451 0 50 FCAA CC[C@]1(C2CCN(C(=O)c3c(C)nc4ncccn34)CC2)NC(=O)NC1=O 67713681 LDSLBTVVUHIIER-GOSISDBHSA-N 370.413 0.878 0 50 FCAA NC(=O)c1cnc2n1CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2 67872267 LNOAYBCVXTVZTA-HNNXBMFYSA-N 353.426 0.814 0 50 FCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CCC(N)=O)C2 71754360 KCIPPYMICXDYHW-UHFFFAOYSA-N 354.414 0.755 0 50 FCAA O=C(c1ccon1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72425248 SUMRQDYSSZUIAF-CABCVRRESA-N 362.411 0.193 0 50 FCAA 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CCc1nc(N)sc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCN)C1 215108203 ODMMDMBQBUVBSN-PWSUYJOCSA-N 351.476 0.700 0 50 FCAA CCc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c(=O)[nH]1 223778503 SMIXRUSXHOBWCH-UHFFFAOYSA-N 357.414 0.496 0 50 FCAA COCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O 229909375 WKTVPZHONVQPSW-KXBFYZLASA-N 373.409 0.549 0 50 FCAA NCCCOC1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 237840093 STJZRKRDVANJOV-HNNXBMFYSA-N 360.458 0.787 0 50 FCAA CC[C@H](C)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 239377481 NZLBBWKRFWAHOK-CWLBACLYSA-N 353.415 0.523 0 50 FCAA CCc1nc(CCNC(=O)N2CCN(c3nccc(OC)n3)CC2)no1 264296951 WGORVFBDTBPEFI-UHFFFAOYSA-N 361.406 0.505 0 50 FCAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 269782859 AUWDHNFFVUPIEE-HOTGVXAUSA-N 356.430 0.796 0 50 FCAA Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)O)c1 299749896 LZDXTBSZQLNADG-LSDHHAIUSA-N 368.455 0.779 0 50 FCAA COC[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 408063866 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COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857720247 LAQLAJTVQFSGIY-GFCCVEGCSA-N 374.422 0.771 0 50 FCAA C[C@@H]1[C@@H](NC(=O)c2cc(F)n(C)n2)CCCN1C(=O)c1nncs1 1875406253 AGMOZXQCCNSYMA-BDAKNGLRSA-N 352.395 0.834 0 50 FCAA NCc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)S2(=O)=O)no1 2325848425 FSRSWVYNWPEGTQ-ZDUSSCGKSA-N 350.400 0.472 0 50 FCAA CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 4502882 KPCLCVJLVZHYDJ-CYBMUJFWSA-N 361.398 0.023 0 50 FCAA COCCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10302795 LPABVXYKYWSKAO-UHFFFAOYSA-N 374.434 0.998 0 50 FCAA CN(CCO)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 11818430 FVPKBJVDFXEINU-OAHLLOKOSA-N 357.476 0.670 0 50 FCAA CN1CCN(C(=O)Cn2nnnc2CN2CCCC2)C[C@@H]1c1ccccc1 11843783 GJIKAPLRNHYGHA-QGZVFWFLSA-N 369.473 0.784 0 50 FCAA CC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CC(C)C)n(C)c1=O 12516202 GAUPUUATDZZKFI-UHFFFAOYSA-N 372.429 0.944 0 50 FCAA COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CCN2C(=O)c3ccccc3C2=O)C1 34009251 YALYADXFMBZGKU-WFASDCNBSA-N 374.393 0.709 0 50 FCAA NC(=O)C1(N2CCCCC2)CCN(c2cc(NC3CC3)nc(N)n2)CC1 65385294 XWNWOHKEESNYCK-UHFFFAOYSA-N 359.478 0.943 0 50 FCAA Cc1ccc(C2(O)CCN(C(=O)c3c[nH]nc3-n3cnnn3)CC2)nc1 67654514 CNEZKQXAKDFDJG-UHFFFAOYSA-N 354.374 0.213 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cc(OC)c(C)cc1C 67804888 XDYDYVDAYIIRDZ-STQMWFEESA-N 355.460 0.538 0 50 FCAA CN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 71750388 APJFCVKECNRKMM-MRXNPFEDSA-N 359.430 0.405 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CCN1 71761417 CTCZIVYJZULFJR-JTQLQIEISA-N 373.456 0.031 0 50 FCAA CCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 72152397 LFRVDGVTTGRMAX-MRXNPFEDSA-N 370.457 0.695 0 50 FCAA CN1C(=O)[C@@]2(CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c2ccccc21 72162664 PJUXDKLRPJCNLI-LJQANCHMSA-N 352.394 0.931 0 50 FCAA CO[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)c2ccccc2C12CCNCC2 72409074 RSJIFOKXOOZKKB-SJORKVTESA-N 372.425 0.046 0 50 FCAA O=C(O)[C@H]1CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1C(=O)C1CC1 72428750 SPUYPLJUVMJRDU-CQSZACIVSA-N 373.409 0.693 0 50 FCAA COc1cccc(CN2CCN(C(=O)[C@H](O)CCSC)CC2=O)c1 72477864 QYEZWEJUSWMBOP-OAHLLOKOSA-N 352.456 0.980 0 50 FCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77355899 CGAVKJPJUWVLKD-LBPRGKRZSA-N 355.354 0.952 0 50 FCAA O=C(c1c[nH]c(=O)c2ccccc12)N1CC[C@]2(CCCN(CCO)C2=O)C1 91434505 OJZWRPMEXXMOBB-HXUWFJFHSA-N 369.421 0.975 0 50 FCAA O=C(Cn1ccnc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91707603 CXEQSNOERSNSHZ-UHFFFAOYSA-N 368.441 0.919 0 50 FCAA Cc1cc(C)n(CCC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)n1 95352707 QPSBFPPTAXBAMB-AWEZNQCLSA-N 362.430 0.814 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCOC[C@@H]3CO)ccc21 95378684 KSJHXVBHQNWXOJ-AWEZNQCLSA-N 360.414 0.243 0 50 FCAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC(O)(c2cccnc2)CC1 95504853 QFSJNSZHENSTEW-UHFFFAOYSA-N 373.461 0.419 0 50 FCAA Cc1nc(CCNC(=O)c2cc(=O)n(C)c(=O)n2C)nc2c1CCCC2 95525943 XGCQAHGCDHHKAC-UHFFFAOYSA-N 357.414 0.034 0 50 FCAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)NCc1cc2n(n1)CCNC2 96132753 CUYHWNRRKBGDHE-AWEZNQCLSA-N 355.398 0.737 0 50 FCAA 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CN(CC1(CO)CC1)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 72129538 QTSHGLMMZVCJLA-SFHVURJKSA-N 371.481 0.575 0 50 FCAA C[C@H]1CN(CC(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)C[C@@H](C)O1 72150086 NMSGFJNVIZUXCF-ITKAJJHTSA-N 373.497 0.949 0 50 FCAA CN(C)CCN(C)C(=O)C[C@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 72429521 MTYVGJGSYBFHAP-AWEZNQCLSA-N 374.445 0.209 0 50 FCAA CS(=O)(=O)c1cnc(NCC2CCNCC2)nc1[C@H]1CCCNC1 72477470 YYBGCVHRLHWMMH-ZDUSSCGKSA-N 353.492 0.759 0 50 FCAA O=C(c1c[nH]nc1-n1cnnn1)N1CCCN(c2ccc(F)cc2)CC1 77470628 MMOLGLYQKOYUAX-UHFFFAOYSA-N 356.365 0.877 0 50 FCAA CCN(CCO)C[C@@H]1CN(C(=O)c2c(C)nc3cc(C)ccn23)C[C@@H]1CO 91694884 SYVYBTWZJGBKJE-IAGOWNOFSA-N 374.485 0.946 0 50 FCAA CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](C)Cn2cncn2)c1 95367660 LZSMEMPNSRMZIE-GFCCVEGCSA-N 351.432 0.737 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CN1Cc1ccccc1 95500306 VGNFOYJBBWBWJZ-HOCLYGCPSA-N 369.425 0.279 0 50 FCAA COCCCN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 95526200 MPEWSRIUWNKWMU-MRXNPFEDSA-N 360.458 0.611 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361.423 0.971 0 50 FCAA CN(C)S(=O)(=O)CCNC(=O)CCCc1nc(O)c2ccccc2n1 252490571 KXBJZZOXRLPMES-UHFFFAOYSA-N 366.443 0.666 0 50 FCAA Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 265631924 SAHHQCCYAKDBNT-KGLIPLIRSA-N 367.471 0.640 0 50 FCAA COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)O 275152576 YYIUMURVLOXBPZ-GXSJLCMTSA-N 373.383 0.140 0 50 FCAA COCC(=O)NCc1cc2n(n1)CCN(Cc1cnn(C)c1C1CC1)C2 299801183 VPVXFSGYVKTZEF-UHFFFAOYSA-N 358.446 0.772 0 50 FCAA NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2 414341209 VKFKVWKPIDLEML-CYBMUJFWSA-N 352.412 0.902 0 50 FCAA CCn1ncnc1[C@H](C)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 534575208 ACQZNBNECCBHAY-AWEZNQCLSA-N 363.466 0.309 0 50 FCAA CNC(=O)Cn1cc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)cn1 534581931 LPYWGYVXOGURII-INIZCTEOSA-N 369.425 0.647 0 50 FCAA Cc1nn(C)c2ncc(CN3CCN([C@@]4(C(=O)O)CCOC4)CC3)cc12 886071920 QCGGLELLEJPWAY-SFHVURJKSA-N 359.430 0.638 0 50 FCAA CN(CC1CCOCC1)C(=O)C(=O)N1CCO[C@@H](c2ccnn2C)C1 910629357 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COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCN(C(C)=O)CC3)C2)cc1 14973137 PNSBZEBCLKGVEE-ROUUACIJSA-N 361.442 0.435 0 50 FCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOC(C)C)c1 15078573 DDMYIPKWXDUVJI-QGZVFWFLSA-N 363.458 0.927 0 50 FCAA CCCc1cc(CN(C)C(=O)c2cn(CCN3CCOCC3)nn2)n[nH]1 20202937 ATBMMVBRBDCRKK-UHFFFAOYSA-N 361.450 0.558 0 50 FCAA NC(=O)CCN1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 20599241 PNVYOPPTHHCXGZ-AWEZNQCLSA-N 350.463 0.187 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)[C@H]3CCCN3C(N)=O)cc2C1=O 71752282 KEMTZSPDSVDJBX-CYBMUJFWSA-N 361.402 0.225 0 50 FCAA CN(c1ccc(C(=O)N2CCc3c(nc[nH]c3=O)C2)cc1)S(C)(=O)=O 72142206 RWUYGOPKPDXEHF-UHFFFAOYSA-N 362.411 0.364 0 50 FCAA Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 77541412 VULOHAUPUAXDDB-SJORKVTESA-N 374.466 0.842 0 50 FCAA COCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc2c(c1)OCCO2 82107283 SXGKEASRHZFCAC-STQMWFEESA-N 352.362 0.773 0 50 FCAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccccc1=O)C2 91819882 JTLKJMOXPXZESO-LSDHHAIUSA-N 367.409 0.402 0 50 FCAA O=C(CCc1ccc(NC(=O)NCc2c[nH]c(=O)[nH]c2=O)cc1)NC1CC1 95525019 JVYJKGMZLGEMHZ-UHFFFAOYSA-N 371.397 0.596 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cnccn2)CN1C(=O)c1ccco1 96164247 ZZMNHCDDIXUJOG-KGLIPLIRSA-N 371.397 0.148 0 50 FCAA O=C(O)Cn1nc(COc2ccccc2)nc1C[C@H]1CCS(=O)(=O)C1 97492582 DARAASCXTJWQLJ-GFCCVEGCSA-N 365.411 0.919 0 50 FCAA COc1cccc(C(=O)NCCC(=O)N2CCN(Cc3ncn[nH]3)CC2)c1 221211065 RCGUNUYFMCZVSL-UHFFFAOYSA-N 372.429 0.278 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2nc(C)cnc2C)CC1 222319685 VTBUPKZWQGCZCJ-INIZCTEOSA-N 371.445 0.213 0 50 FCAA Cn1nnnc1SCCNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 223955011 IAPCESUZYGFLBR-SNVBAGLBSA-N 364.406 0.611 0 50 FCAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCN2C[C@H](C)O[C@H](C)C2)C1 252572414 ZGBLPCFAWOMGMY-NMWPEEMBSA-N 365.478 0.652 0 50 FCAA CS(=O)(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)C1 299743763 PIDMUVXDACDKED-RQJABVFESA-N 358.460 0.902 0 50 FCAA CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)cs1 299747842 FICISGMATGSHFN-SNPRPXQTSA-N 368.503 0.608 0 50 FCAA Cc1cccc(OC2CN(C(=O)N[C@@H]3C[C@H]4C(=O)N(C)CC(=O)N4C3)C2)c1 584888065 HWESIJAWCNPMOV-CJNGLKHVSA-N 372.425 0.209 0 50 FCAA COc1ccc(-n2nc(C(=O)N[C@H]3CCCN(CC(N)=O)C3)cc2C)cc1 1319740328 FIFFQDRPTKGUMF-AWEZNQCLSA-N 371.441 0.869 0 50 FCAA CS(=O)(=O)N1CCO[C@@H](CNC2CCN(C(=O)C3CCC3)CC2)C1 1506428650 RPGOINGBYOIRHS-HNNXBMFYSA-N 359.492 0.028 0 50 FCAA Cc1cc(C)n(C[C@@H](C)N2CCCN(C(=O)CN3CCOC3=O)CC2)n1 1775979592 MLMBINXUXVOHOX-MRXNPFEDSA-N 363.462 0.875 0 50 FCAA CN1CCOC2(CCN(C(=O)Cn3nc4ccccc4n3)CC2)CC1=O 1857685947 BFYQSPGSKQUKMM-UHFFFAOYSA-N 357.414 0.671 0 50 FCAA Cc1cc(=N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)[nH]c(N2CCOCC2)n1 1857691531 PHSQJFPOOUXYML-YESZJQIVSA-N 361.490 0.953 0 50 FCAA O=C1CC[C@H](N2Cc3c(NC(=O)[C@@H]4CCCO4)cccc3C2=O)C(=O)N1 1857797888 CMOQCSZQZJTSAF-KBPBESRZSA-N 357.366 0.565 0 50 FCAA CC(=O)Nc1ccc(S(=O)(=O)NNC(=S)NC[C@H]2CCCO2)cc1 2853038 YLXIPFYAHIUCEX-GFCCVEGCSA-N 372.472 0.481 0 50 FCAA Cc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)c1 3618558 ZSVOJXOJQXRHTH-UHFFFAOYSA-N 363.399 0.409 0 50 FCAA O=C(O)COCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 17076068 YKXOBTKBCDQZHW-UHFFFAOYSA-N 371.396 0.984 0 50 FCAA O=C1CCC2(CCN1)CCN(C(=O)c1cnn3cc(CCO)cnc13)CC2 67788159 BXIUURQAHWGTHY-UHFFFAOYSA-N 371.441 0.787 0 50 FCAA CCCn1ncc(C(=O)N2CCN(c3ncccn3)C[C@@H]2C(=O)O)c1C 71764147 PSLPOTDAAKEGSD-CQSZACIVSA-N 358.402 0.807 0 50 FCAA O=S(=O)(c1ccc(CN2CCC[C@@](O)(CO)C2)cc1)N1CCOCC1 72132944 IJBHJTOJGCNBPI-KRWDZBQOSA-N 370.471 0.027 0 50 FCAA Cc1ncc(C(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)c(=O)[nH]1 77425237 VAQZXPLQEFJCOO-UHFFFAOYSA-N 359.434 0.288 0 50 FCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)COC(C)C)C2 77504681 ZFTKFQLSOFJCTI-UHFFFAOYSA-N 370.471 0.921 0 50 FCAA O=C(CCS(=O)(=O)c1ccccc1)NCc1cc2n(n1)CCCNC2 82125788 UFDIBUSTVPUYEQ-UHFFFAOYSA-N 362.455 0.857 0 50 FCAA CCc1nccn1CC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91321757 SLUFQUZIDFVIMB-HZPDHXFCSA-N 350.463 0.235 0 50 FCAA CC1(C)CN(c2nnnn2-c2ccccc2)CC[C@]1(O)CN1CCOCC1 91908488 FPDYJLQJRZGSQN-IBGZPJMESA-N 372.473 0.962 0 50 FCAA COCCOCC(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91934519 ALOQQMMDYRMAIA-SFHVURJKSA-N 354.447 0.670 0 50 FCAA CN1CCN(S(=O)(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)CC1 95497633 DAJQBKMSQHATGU-UHFFFAOYSA-N 361.471 0.927 0 50 FCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCCn2cccn2)CC1 159004620 RWTULSNCQQJZGE-UHFFFAOYSA-N 352.464 0.666 0 50 FCAA COc1ccc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c(OC)n1 220176080 GXMDYMQZOYNKDB-UHFFFAOYSA-N 359.386 0.155 0 50 FCAA O=C(CCN1CCOCC1)N[C@@H]1CCOC[C@H]1OCc1cscn1 223928631 OJYHUMCAMKEGFO-HUUCEWRRSA-N 355.460 0.656 0 50 FCAA Cn1c(O)nc(=O)c2nc(C[C@H](O)c3ccc(F)cc3F)c(O)nc21 242284677 YIVOFCCZDCCYFA-JTQLQIEISA-N 350.281 0.689 0 50 FCAA CCn1cc(S(=O)(=O)N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)cn1 244831571 UGIRAWAQCDRHJX-TXEJJXNPSA-N 366.447 0.322 0 50 FCAA CCC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 262271807 YBULNKBZYUJUBR-NEPJUHHUSA-N 371.459 0.080 0 50 FCAA C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1)[C@@H]1CCCNC1 262519642 XDLRMJYEMBLYNZ-UONOGXRCSA-N 368.503 0.888 0 50 FCAA CN1CCCCC[C@@H]1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299778418 QKDHYQSANZECGQ-OAHLLOKOSA-N 369.491 0.149 0 50 FCAA O=C(CCn1cncn1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 299792062 DWSRPKFOCSMFJZ-AJPWXKBRSA-N 366.469 0.352 0 50 FCAA COCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)C1 670450658 BUATVGHTLBNJDZ-LBPRGKRZSA-N 372.443 0.727 0 50 FCAA COC(=O)c1cccc(S(=O)(=O)NC(=O)C2CCN(C(C)=O)CC2)c1 746471611 KSOXLVUFMOHSSZ-UHFFFAOYSA-N 368.411 0.537 0 50 FCAA Cc1c(S(=O)(=O)NCc2cc(O[C@H]3CCNC3)ccn2)cnn1C 842900739 KIIWYJNVOYSCEZ-AWEZNQCLSA-N 351.432 0.343 0 50 FCAA CCCOc1ccc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)cc1 1565510057 FHGSYEQLFPOJDT-IRXDYDNUSA-N 363.458 0.729 0 50 FCAA C[C@]1(O)CC2(CCN(C(=O)c3cccc4c3OCCO4)CC2)OC[C@@H]1O 1704340101 UPVDZDBCPSYFCR-YJBOKZPZSA-N 363.410 0.965 0 50 FCAA Cc1ccc(NC(=O)CN(C)c2ncnc3c2ncn3C(CO)CO)cc1 1875269293 TYFXJCIWBFGJKR-UHFFFAOYSA-N 370.413 0.735 0 50 FCAA Cn1ncc2c1CCN[C@@H]2C(=O)NCCNc1nccc(C(F)(F)F)n1 1875392831 WEDOFONCZIDLAG-LBPRGKRZSA-N 369.351 0.644 0 50 FCAA CCOc1ccccc1-c1nnc(NC(=O)c2cc(=O)n(C)c(=O)n2C)o1 1940198132 PUQQKUBXDCXZBK-UHFFFAOYSA-N 371.353 0.785 0 50 FCAA Cc1cc(O)n2nc(SCC(=O)N3CCC[C@@]4(CCNC4)C3)nc2n1 67935271 PIGUWGLAFQUQSG-INIZCTEOSA-N 362.459 0.833 0 50 FCAA CNC(=O)CN(C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71763747 BTRSHQWWCZDWDS-CYBMUJFWSA-N 362.430 0.180 0 50 FCAA CN(CC1(CO)CC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 72156078 KJGAGHNGHJPCBE-CQSZACIVSA-N 351.472 0.670 0 50 FCAA O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](C(=O)N2CCSCC2)C1 72432971 NHLFJOGHUVWFJX-CQSZACIVSA-N 360.439 0.979 0 50 FCAA Cc1cc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)n(C)n1 72457512 LWVIOZDWFAIQRM-UHFFFAOYSA-N 356.430 0.596 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2c[nH]cn2)CC1 77376875 CQVLCURANWOXIJ-UHFFFAOYSA-N 359.478 0.875 0 50 FCAA Cc1nnc(CN2CCN(C)[C@]3(CCC(=O)N(CCO)CC3)C2)s1 91746981 BIARPFZOTOOFMV-INIZCTEOSA-N 353.492 0.338 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCC(c2nccn2CC2CC2)CC1 95504213 CORWVPQVDZLFGK-UHFFFAOYSA-N 354.476 0.938 0 50 FCAA COc1cc(C(=O)NCc2nnn[nH]2)ccc1OC1CCN(C(C)=O)CC1 95525656 VSBPVWYVUPVOHH-UHFFFAOYSA-N 374.401 0.528 0 50 FCAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCN(c2ncccn2)CC1 219499340 FIPKKTIAFCGKOG-INIZCTEOSA-N 364.413 0.791 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2noc(C)n2)cc1 299760519 VIBJOOGKGVWPSE-MRXNPFEDSA-N 371.441 0.736 0 50 FCAA Cc1cc2nc(C(=O)N3CC[C@H]4[C@H](C3)OCc3cnnn34)cc(C)n2n1 299788939 XJXYHMCICWQHSE-GJZGRUSLSA-N 353.386 0.924 0 50 FCAA COc1ccc([C@@H](O)C(=O)N2CCc3nc(N(C)C)nc(O)c3CC2)cc1 299797767 PGCUNRFUIUJIAS-MRXNPFEDSA-N 372.425 0.918 0 50 FCAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)CN2CCC(C)CC2)cn1 328618511 DUAJZPQLWWWKOT-INIZCTEOSA-N 368.503 0.933 0 50 FCAA O=S(=O)(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cncc(F)c1 329101459 ZSHABVNJAQVYLA-LLVKDONJSA-N 363.436 0.456 0 50 FCAA O[C@H](CN1CCN(c2nnnn2-c2ccccc2)CC1)Cn1cccn1 369083310 FPKLJUFXSJYDHL-MRXNPFEDSA-N 354.418 0.042 0 50 FCAA Nc1ccccc1C(=O)NCCNC(=O)[C@H]1Cc2ccccc2C(=O)O1 390832883 PMVNJRQFCUENIK-MRXNPFEDSA-N 353.378 0.897 0 50 FCAA CN1C(=O)N(C)C2(CCN(C(=O)c3cccc(-c4nc[nH]n4)c3)CC2)C1=O 426578847 ROAJRWLRFYPKCU-UHFFFAOYSA-N 368.397 0.970 0 50 FCAA CCCn1nc(C)c(CNC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1C 584887219 OVTKPGSPRFSBNQ-AWEZNQCLSA-N 372.491 0.601 0 50 FCAA Cc1nn(C)c2ncc(CN3CCC[C@](O)(Cc4nncn4C)C3)cc12 886089058 UAMMLTGHSMPNRV-SFHVURJKSA-N 355.446 0.975 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2cnn3ncccc23)[C@@H]1c1cncn1C 952852676 HWNYBFIESFQZGK-HOTGVXAUSA-N 355.402 0.265 0 50 FCAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)NCc2ccc3cc[nH]c3n2)n1 952887834 KLQKPKMZXPWUJQ-HNNXBMFYSA-N 354.414 0.793 0 50 FCAA CN(C)C(=O)c1cc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)ccn1 1321436535 MJZPWRMTRMVFEO-LBPRGKRZSA-N 351.428 0.937 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1cccc(Cl)c1 1704298582 IIBISOGXNKAIFM-GXTWGEPZSA-N 360.863 0.905 0 50 FCAA O=C1N[C@@H](C(=O)N2CCC3(CC2)C(=O)NCc2ccccc23)[C@@H]2CC[C@H]12 1875308336 ATESRHAUDVYAHJ-IJEWVQPXSA-N 353.422 0.701 0 50 FCAA CC(=O)N1C[C@@H](C(=O)NC2(C(N)=O)CC(C(F)F)C2)Oc2ccccc21 1875347788 SLXIJWLFWVLLBU-LBCLYVMASA-N 367.352 0.816 0 50 FCAA CN[C@@H](C)Cc1cn(Cc2cc(O)n3ncc(Br)c3n2)nn1 2325787765 VQNPNXXGZLJRCT-QMMMGPOBSA-N 366.223 0.988 0 50 FCAA CN[C@@H](C(=O)N1CCN(c2cccc3n[nH]cc23)CC1)c1cnn(C)c1 2325808249 JEHQNIMUWJGIDI-QGZVFWFLSA-N 353.430 0.906 0 50 FCAA Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2CC(=O)O)n(C)c1=O 11693967 QAEULWKCMTTWFD-UHFFFAOYSA-N 369.381 0.081 0 50 FCAA biogenic CS(=O)(=O)N1CCN(C(=O)c2cc(-n3cnnn3)ccc2Cl)CC1 20718810 DOWKVGGWSZFHJZ-UHFFFAOYSA-N 370.822 0.033 0 50 FCAA COCCN1CC[C@@H](C(=O)N2CCN(Cc3ccccc3CO)CC2)C1 55281904 ROXXBFYISVEWFY-GOSISDBHSA-N 361.486 0.791 0 50 FCAA Cn1c(CO)nnc1CC1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 55370334 QUJDCOZBLXJJDP-AWEZNQCLSA-N 373.461 0.128 0 50 FCAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1cnc3ccnn3c1C)CC2 65370311 SKAHPBWAOUERJU-UHFFFAOYSA-N 352.398 0.681 0 50 FCAA CC(C)CN1C[C@H](C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)CC1=O 65529591 GQMQMXVSDCZPOZ-CQSZACIVSA-N 358.442 0.998 0 50 FCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3noc(C)n3)CC2)C1 71524208 GBTCVPFGVRFYMJ-AWEZNQCLSA-N 351.451 0.821 0 50 FCAA CSCCCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CC[C@H]21 72418227 OIGOXJXUVVSTLS-GXTWGEPZSA-N 364.471 0.976 0 50 FCAA Cn1ccnc1CN1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72475486 HFTFQBSUAALWSS-CVEARBPZSA-N 361.471 0.299 0 50 FCAA CSCC(=O)N1CCN(Cc2ccc(C)o2)[C@@H]2CS(=O)(=O)C[C@@H]21 77357865 TXKZZQCZPBUFOL-KGLIPLIRSA-N 358.485 0.761 0 50 FCAA Cc1nc(CCC(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)n[nH]1 77407521 UZFBDPUSRZEZTG-CYBMUJFWSA-N 360.466 0.642 0 50 FCAA O=C(CN1CCC(O)CC1)N1CCN(c2ccccc2Cl)C(=O)C1 82115214 IREFTJTZTNQEER-UHFFFAOYSA-N 351.834 0.972 0 50 FCAA CCc1n[nH]c(SCC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1 91908261 LCWVVHMGXXPZIH-INIZCTEOSA-N 367.475 0.293 0 50 FCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C[C@@H]1CCOC1)CC2 92046071 MVGZWLKVLXJZNB-ZDUSSCGKSA-N 354.476 0.555 0 50 FCAA Cn1c(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)nc2cc(C(=O)O)ccc21 95380962 NYFGYNCTXRVXJU-LLVKDONJSA-N 372.381 0.831 0 50 FCAA Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O 97681725 PLSUYBHMDRZQCM-HUUCEWRRSA-N 361.423 0.682 0 50 FCAA Cc1nc(S(=O)(=O)N2CCN(Cc3noc(C(C)C)n3)CC2)cn1C 122569943 RGEJJOIOEJSYDM-UHFFFAOYSA-N 368.463 0.741 0 50 FCAA Nc1n[nH]c(CCC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)n1 212921945 JSJKCFCHHPKFQT-YPMHNXCESA-N 361.475 0.899 0 50 FCAA CC(C)(O)CCc1ccc(CN2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 219283107 ICXWSOXWEBEGLL-SJORKVTESA-N 352.500 0.961 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(O)c(Cl)c1 223109747 RWPOGMUJTVFOMD-UKRRQHHQSA-N 370.833 0.967 0 50 FCAA Cc1cc(O)n2nc(CC(=O)N[C@H]3CCCN(c4ncccn4)C3)nc2n1 223479619 DAUQFHOXJUJDBG-LBPRGKRZSA-N 368.401 0.256 0 50 FCAA C[C@@H](NC(=O)C(=O)N1[C@H](C)CCC[C@H]1C)C(=O)NCCN1CCCCC1 253419034 ORYBVNVFIZKBNS-BZUAXINKSA-N 366.506 0.883 0 50 FCAA Cn1c(O)ncc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1=O 267558036 FRFIAPNOVACCKY-UHFFFAOYSA-N 369.381 0.606 0 50 FCAA Cc1nc(CCC(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n[nH]1 299777915 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12372768 UEDOFJLZGONQFU-MRXNPFEDSA-N 374.489 0.362 0 50 FCAA CN1CCn2nc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc2C1 65369885 MDVUEXUCHPTKFY-GOSISDBHSA-N 370.457 0.527 0 50 FCAA CCn1c([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)nn(CCN(C)C)c1=O 67770781 BBYCBTCJBADWFZ-CQSZACIVSA-N 360.462 0.974 0 50 FCAA CCn1c(CC2CCN(C(=O)COc3cccnc3)CC2)nn(C)c1=O 67842589 RWXSTCCLMFIVOZ-UHFFFAOYSA-N 359.430 0.857 0 50 FCAA O=C(O)C1(O)CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1 71761504 RGRMSLQPMJUPNF-UHFFFAOYSA-N 365.820 0.649 0 50 FCAA C[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)N1CCOCC1 72145701 ZPCZTZPHXUKWHU-CYBMUJFWSA-N 369.425 0.437 0 50 FCAA O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1c[nH]c(=O)[nH]c1=O 72158300 FEZRKFGALNPYIS-HNNXBMFYSA-N 356.426 0.890 0 50 FCAA COCc1c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)noc1C 72476868 VUKDRQOXADDSBN-GXTWGEPZSA-N 350.419 0.541 0 50 FCAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)NCCc1csc(N)n1 77458541 JASJTBZKIAMPLQ-UHFFFAOYSA-N 358.427 0.740 0 50 FCAA CCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82120606 DBMLBHVMJWGAPD-OAHLLOKOSA-N 373.519 0.371 0 50 FCAA CCC[C@@H]1CN(c2ncccc2C(=O)N(C)C)C[C@H]1NS(C)(=O)=O 82158513 RCVAVPRAEAWWIW-TZMCWYRMSA-N 354.476 0.938 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccc2c(c1)OCO2 91820036 UFAROYNIKJYMKA-QWHCGFSZSA-N 360.366 0.664 0 50 FCAA C[C@@H](Cc1cccnc1)NC(=O)c1ccc(S(=O)(=O)NCCO)cc1 92062430 SJEVWFVFTKWKLP-ZDUSSCGKSA-N 363.439 0.713 0 50 FCAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3cnn(C)c3C)C2)cn1 95382812 YXCJOHHFYUKUFP-CABCVRRESA-N 370.457 0.913 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2ccc(F)cc2F)[C@H]2CCO[C@H]21 220757350 KYQVWWCHVHSSNP-MSQAHXEGSA-N 374.409 0.719 0 50 FCAA O=C(N1CCCCC1)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 222025621 HNZZAHHQCZPJDR-UONOGXRCSA-N 365.459 0.370 0 50 FCAA C[C@@H](CN1CCOCC1)C(=O)N1CCN(Cc2ccccc2CO)CC1 240936823 SEHZGUHBLAYGNA-KRWDZBQOSA-N 361.486 0.791 0 50 FCAA COc1ccccc1CNC(=O)CN1CCC2(CC1)C(=O)NCCCN2C 252481072 CHMOCDCJDRTRFE-UHFFFAOYSA-N 374.485 0.598 0 50 FCAA O=c1c(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nccn1C1CC1 329322611 HCGVQPVNGLKHQC-ZDUSSCGKSA-N 360.439 1.453 0 50 FCAA C[C@@]1(C(N)=O)CCCCN1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 425430045 CPZRXXBQULVBNF-KRWDZBQOSA-N 367.471 0.436 0 50 FCAA CN(C(=O)NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCS(=O)(=O)C1 534650424 AOAQQERZLGUUDM-CYBMUJFWSA-N 369.443 0.713 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCN(CCOC)C2)cs1 670442365 UWFAHGLIIQRYCU-NSHDSACASA-N 361.489 0.354 0 50 FCAA O=C(NCc1noc(-c2c(F)cccc2F)n1)NC[C@@H]1CNCCO1 670456698 LCBXUPNPPCENDN-VIFPVBQESA-N 353.329 0.802 0 50 FCAA NC(=O)C1(O)CN(C(=O)c2nn(-c3ccccc3F)c3c2CCCC3)C1 1470771468 CVNUQOWEUDQWHU-UHFFFAOYSA-N 358.373 0.562 0 50 FCAA O=C1CO[C@H](C(=O)NCc2cnc3ccccn23)[C@@H](c2cccnc2)N1 1529184688 CTYQFGHCVKPIPR-SJORKVTESA-N 351.366 0.602 0 50 FCAA CN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccnc3ccccc23)C[C@@H]1O 1565512223 LCANWROCYROYHZ-IRXDYDNUSA-N 364.471 0.566 0 50 FCAA Cc1nc(CN2CCN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)no1 1565513455 CSAHRKRFTZGYJX-LSDHHAIUSA-N 363.443 0.256 0 50 FCAA CS(=O)(=O)CCC(=O)N1C[C@H]2COC[C@@H]1CN(Cc1ccoc1)C2 1772701058 IAZVPUCSVGURQV-GJZGRUSLSA-N 356.444 0.374 0 50 FCAA CCC[C@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1775989808 SEQVDVKABDTFEB-ILXRZTDVSA-N 351.447 0.387 0 50 FCAA CCc1ncnc(N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1F 1857688049 QUBJRFVSYZFKTJ-AVGNSLFASA-N 351.426 0.910 0 50 FCAA N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3nc4ccc(Cl)cn4c3F)C[C@@H]12 1857696883 PJFLUYXDSQRKNJ-AEJSXWLSSA-N 372.809 0.323 0 50 FCAA COCCC[C@@]1(CO)CN(Cc2cc(=O)n3ccsc3n2)CC[C@H]1O 1857712329 IZEMEFPPKGSPDI-PBHICJAKSA-N 367.471 0.728 0 50 FCAA COCCNC(=O)C1(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 1875347185 KCFMXKYFXKFBCG-CYBMUJFWSA-N 363.439 0.901 0 50 FCAA O=C(c1[nH]nnc1C1CC1)N1CCO[C@@]2(CCN(c3ncccn3)C2)C1 1875408149 PLABBJZKQSFLHB-KRWDZBQOSA-N 355.402 0.594 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1)C2 1940196912 DIMFQNFRMIUOBE-AAEUAGOBSA-N 374.846 0.746 0 50 FCAA Cn1c(=O)c2c(ncn2C[C@H](O)CNc2ccc(Cl)cc2)n(C)c1=O 801733 OMSTXVDQUZQMQK-GFCCVEGCSA-N 363.805 0.560 0 50 FCAA biogenic COc1ccc(CCNC(=O)CSc2nc(N)cc(=O)[nH]2)cc1OC 9860985 JJHNKTONLDUDFA-UHFFFAOYSA-N 364.427 0.820 0 50 FCAA Cc1ccc(-n2cc(CN3CCN4C(=O)CN(C)C(=O)[C@H]4C3)cn2)cc1 14750070 HEBQBLHLSZBETH-QGZVFWFLSA-N 353.426 0.666 0 50 FCAA Cc1nnc2ccc(N3CCC[C@@H](C(=O)N4CCC(C(N)=O)CC4)C3)nn12 32103792 FMXSOWWEADVVDU-CQSZACIVSA-N 371.445 0.373 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CCCNC3)C2)cc1 67679124 KXZZNFQTLVSCRA-OAHLLOKOSA-N 358.485 0.854 0 50 FCAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cc[nH]n3)CC2)C1 71614526 LQMIAUWEUSPNQV-AWEZNQCLSA-N 363.462 0.489 0 50 FCAA CNc1cc(C)nc(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)n1 77343330 CEKSCXVSHOCAPU-CQSZACIVSA-N 359.434 0.628 0 50 FCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCNC(=O)C2)[C@H]3C1=O 77391048 BKOVESRHMLRBGL-WGDDSDEBSA-N 361.442 0.163 0 50 FCAA COCC[C@@]1(CO)CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 91535789 KCFLOTDCUAISRT-SFHVURJKSA-N 350.415 0.802 0 50 FCAA Cn1c(Cn2cncn2)nnc1C1CCN(c2cccc(C(=O)O)n2)CC1 91636001 LOBLUSXHYHMLEN-UHFFFAOYSA-N 368.401 0.932 0 50 FCAA O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCOC2)cc1)N1CCOCC1 91664041 GVULSHCMHBWKMG-CQSZACIVSA-N 368.455 0.864 0 50 FCAA COCCCNC(=O)c1cccc(S(=O)(=O)NCc2cnn(C)c2)c1 95386979 CEKSUEODMRXSBK-UHFFFAOYSA-N 366.443 0.665 0 50 FCAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 95387829 IFSWAUCODQCTLV-LBPRGKRZSA-N 357.418 0.031 0 50 FCAA CN1CCN(CCN(C)c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95523067 GVRSHDLSQNEUTB-UHFFFAOYSA-N 369.469 0.937 0 50 FCAA O=C([C@@H]1CCCN1C(=O)c1ccc(Cn2cnnn2)cc1)N1CCOCC1 97076184 AFOBAUQSLUKWEK-INIZCTEOSA-N 370.413 0.185 0 50 FCAA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H]1Cc2ccccc2CN1 237744041 OZFPUYGQBDAPLN-MRXNPFEDSA-N 351.410 0.970 0 50 FCAA Cn1cc(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1C(N)=O 249481288 VMHBZCPBDCWJLL-WCQYABFASA-N 369.468 0.582 0 50 FCAA C[C@H](OC(=O)CN1CCCS1(=O)=O)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252477260 KXZJTJMGJBXMGC-CAEXGNQWSA-N 372.487 0.895 0 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359.470 0.998 0 50 FCAA COc1ccccc1OCC(=O)N1CCN(C)[C@@H]2CS(=O)(=O)C[C@@H]21 72462847 YPCPXLKCLYAHOX-OLZOCXBDSA-N 354.428 0.014 0 50 FCAA Cc1cc(C)n(CCCC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 77389933 URAKHKZHEIRSOQ-CABCVRRESA-N 354.476 0.220 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O 77454828 HTMHFVSFIGPZCJ-GGXPGOJBSA-N 374.441 0.495 0 50 FCAA CCCO[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82097805 DNIGFENIFCKLIU-LBPRGKRZSA-N 358.464 0.480 0 50 FCAA NC(=O)CN1C(=O)[C@]2(CCN(C(=O)Cc3cccnc3)C2)c2ccccc21 82109048 PCUBZTVINOYLFN-FQEVSTJZSA-N 364.405 0.626 0 50 FCAA O=C1CCCCCN1CC(=O)N1CC[C@]2(CCCN(CCO)C2=O)C1 91444673 LRFKVYAKYUGNFV-GOSISDBHSA-N 351.447 0.222 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91452459 YMPQHDSZNMRODZ-LJQANCHMSA-N 374.441 0.320 0 50 FCAA NC(=O)N1CCC[C@H](C(=O)NCc2nncn2CCc2ccccc2)C1 91604027 KDUYXDVWCWWVSI-HNNXBMFYSA-N 356.430 0.928 0 50 FCAA CN(C)c1nc(N2CCN(S(=O)(=O)N3CCCC3)CC2)ncc1F 91644594 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CCCn1nccc1S(=O)(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244794585 QPLKLMZNMMSXEA-OSAQELSMSA-N 353.448 0.817 0 50 FCAA Cn1nnc(-c2ccc(C(=O)N[C@H]3C[C@H](c4nnc(CO)n4C)C3)cc2)n1 244794833 QUTUYEDSTVXAOT-JOCQHMNTSA-N 368.401 0.174 0 50 FCAA O=C(O)[C@H]1CN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CCO1 262969343 LHVWEZABMJMZGW-VXGBXAGGSA-N 362.411 0.972 0 50 FCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2ccccc2S(N)(=O)=O)C1=O 288939924 ZVRBRBUPSGHGNK-CHWSQXEVSA-N 366.443 0.096 0 50 FCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(CSc3nnc[nH]3)o2)C1 299781572 LNEZOEQWKDXDEX-KOLCDFICSA-N 365.415 0.919 0 50 FCAA Cc1cnn(CCC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 329379788 NEZVAHFUHYPFMH-OAHLLOKOSA-N 370.475 0.235 0 50 FCAA CC1(C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@@H]1[C@H]1CCCO1 329421748 HSJJHFUEDWFXKY-CHWSQXEVSA-N 351.490 0.783 0 50 FCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)C1 332792461 AXNYEABEKDLWQR-STQMWFEESA-N 355.464 0.484 0 50 FCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 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CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)C(=O)C1 15073523 HOFNVVMXAGLTNB-MRXNPFEDSA-N 358.442 0.461 0 50 FCAA CN(C)[C@@H](C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)c1ccccc1F 19743383 IIVYJLXKSHCBSC-GOSISDBHSA-N 373.432 0.871 0 50 FCAA Cc1ccc(CN(CCCO)C(=O)[C@@H]2CCCN(CC(N)=O)C2)s1 55308866 PMRLQDXRONARIC-CQSZACIVSA-N 353.488 0.965 0 50 FCAA OCC[C@H]1CN(c2nc(-c3ccncc3)nc3c2CCNCC3)CCO1 65395467 VISQVYMQCZIDHY-HNNXBMFYSA-N 355.442 0.814 0 50 FCAA O=C(O)[C@@H]1CC2(CCN(C(=O)CCn3cccn3)CC2)CN1C(=O)C1CC1 72412279 WRFCKDWRSUBGPV-HNNXBMFYSA-N 374.441 0.978 0 50 FCAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)c1 77470679 FTSWSRKLGNTOOF-GFCCVEGCSA-N 373.409 0.649 0 50 FCAA Cc1ncsc1CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 82147766 UFEMASAONZNEQB-UHFFFAOYSA-N 352.460 0.981 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91320021 SYLFIWCHRKMMAN-SJORKVTESA-N 365.474 0.720 0 50 FCAA Cc1cccnc1NCCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 91519183 WRGATIWKBNYJRI-CVEARBPZSA-N 359.474 0.766 0 50 FCAA 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C[C@@H]1C[C@@H](NC(=O)Cc2nccn2C)CCN1C(=O)[C@@H](C)n1ccnc1 1875407339 XNAVQNYPMZGHOP-KFWWJZLASA-N 358.446 0.916 0 50 FCAA Cc1c(CNC(=O)C(=O)N2CCNC(=O)[C@@H]2C)noc1-c1ccccc1 2325818967 JBYDZMJRTBDBSI-LBPRGKRZSA-N 356.382 0.613 0 50 FCAA CC(=O)N[C@]12CCOC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 2325849195 IJDVMYNSMMGJBM-KSSFIOAISA-N 355.398 0.635 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 2325888428 RUIAVZGICBWJIV-UONOGXRCSA-N 359.430 0.375 0 50 FCAA Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)n(C)c3nc12 20312328 FOOCZUIMRFDURF-UHFFFAOYSA-N 369.425 0.557 0 50 FCAA CN1C[C@H]2CN(C(=O)c3cccnc3N3CCOCC3)C[C@@]2(C(=O)O)C1 65528604 SHANUXLYNRIMDD-UGSOOPFHSA-N 360.414 0.007 0 50 FCAA CN(C[C@@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67676073 MHVXBXQZRVLAIR-VIFPVBQESA-N 360.457 0.892 0 50 FCAA O=C1CN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCCN1 67881798 CTDKGOAVTCIIGQ-UHFFFAOYSA-N 359.338 0.944 0 50 FCAA Cc1ncc(CC(=O)N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c(=O)[nH]1 72140256 JXQAKWNPUHLWBH-INIZCTEOSA-N 366.421 0.505 0 50 FCAA COc1cccc(CN2CCN(C(=O)[C@H](NC(N)=O)C(C)C)CC2=O)c1 72476553 JRRNKXQTWGRNON-MRXNPFEDSA-N 362.430 0.559 0 50 FCAA COc1cccc(N2C[C@@H](C)N(C(=O)CCNS(C)(=O)=O)CC2=O)c1 82096638 UZZCHVSMTDKCTC-GFCCVEGCSA-N 369.443 0.198 0 50 FCAA COCCC[C@]1(C(=O)O)CCCN(C(=O)CCc2ccc(=O)[nH]n2)C1 91350551 HRCUEFTYBPGTQV-QGZVFWFLSA-N 351.403 0.823 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91452460 YMPQHDSZNMRODZ-IBGZPJMESA-N 374.441 0.320 0 50 FCAA CN1CC[C@]2(CCC1=O)CN(C(=O)CCN1CCCC1=O)CCN2C 91770200 ANAUSJDCMJPQIC-GOSISDBHSA-N 350.463 0.154 0 50 FCAA COCCCN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 95526201 MPEWSRIUWNKWMU-INIZCTEOSA-N 360.458 0.611 0 50 FCAA COCCn1nnnc1[C@@H]1CN(C(=O)CCc2c(C)noc2C)CCO1 97553247 DRNBNJMOZVQHQB-AWEZNQCLSA-N 364.406 0.457 0 50 FCAA Cc1nnc(CN2CCN(C)[C@@]3(CCC(=O)N(CCO)CC3)C2)s1 107679117 BIARPFZOTOOFMV-MRXNPFEDSA-N 353.492 0.338 0 50 FCAA Cc1cnc2c(Cl)c(C(=O)NCCS(=O)(=O)N3CCCC3)nn2c1 216270751 WLVIXVMFQJHKRJ-UHFFFAOYSA-N 371.850 0.847 0 50 FCAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1O[C@H]2[C@@H]2ON=C(c3ccc(C(=O)OC)cc3)[C@@H]12 229791748 ZNKDHRYCDKEPSA-HSKJIWMRSA-N 370.361 0.594 0 50 FCAA CCc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCc4ncnn4C3)C2)ncn1 247110605 VQXUNMTZXOZBRX-CABCVRRESA-N 370.461 0.914 0 50 FCAA O=C(C1CCC1)N1CCN(Cc2nccs2)[C@@H]2CS(=O)(=O)C[C@@H]21 247796411 CTXNGTAQBGVNRQ-OLZOCXBDSA-N 355.485 0.753 0 50 FCAA O=C(CCCNS(=O)(=O)c1ccc(F)cc1)N[C@]1(CO)CCOC1 273567849 JWZPXRZLLWCQJS-HNNXBMFYSA-N 360.407 0.152 0 50 FCAA O=C(Cc1ccc2[nH]ncc2c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 280174704 HBVLOBXXCCYDHY-OAHLLOKOSA-N 362.455 0.437 0 50 FCAA C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cccc(Cl)c1S(C)(=O)=O 285367450 WZZNAJUALQPSBX-MRVPVSSYSA-N 368.864 0.962 0 50 FCAA COc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)O)CC2=O)cc1OC 299748031 FWXAKSWIYZIKKX-NSHDSACASA-N 350.371 0.990 0 50 FCAA CC(C)N1CC[C@H](C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)C1 299756298 LDYAAOKAMPDRPV-ZDUSSCGKSA-N 369.491 0.005 0 50 FCAA Cn1c(CO)nnc1C1CCN(C(=O)CCc2csc(N)n2)CC1 299764418 VWNJNHBEHHBNAN-UHFFFAOYSA-N 350.448 0.685 0 50 FCAA NC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299771671 VUXOHBOQILSTOW-MRXNPFEDSA-N 365.405 0.382 0 50 FCAA CN(C)c1cc(N2CCn3nc(CNc4cnccn4)cc3C2)nc(N)n1 299781858 UYELGSZSUIMXJQ-UHFFFAOYSA-N 366.433 0.744 0 50 FCAA Cc1ccc2c(c1)c(CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)nn2C 299796168 OFENAYOBEUNTBB-ZDUSSCGKSA-N 364.471 0.617 0 50 FCAA CC(C)c1nc(CN2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)no1 328625127 CTQHESPJJSNPPM-CYBMUJFWSA-N 362.434 0.624 0 50 FCAA COc1cccc(C(=O)N2CCN3CCN(C)C[C@H]3C2)c1OCCCN 426525989 FJQBPTWTWMKWKE-HNNXBMFYSA-N 362.474 0.495 0 50 FCAA COCCn1cnnc1[C@@H](C)NS(=O)(=O)c1cccc2nn(C)nc12 670457959 GFCIPVFCAXVAOL-SNVBAGLBSA-N 365.419 0.246 0 50 FCAA CN1CCN(C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1(C)C 827945823 UECNXVNJVQQLNN-HNNXBMFYSA-N 357.520 0.438 0 50 FCAA CCN1C(=O)C[C@@H](CNS(=O)(=O)c2ccco2)[C@@H]1c1nccn1C 886062992 BLZFBFBJYTYFNP-SMDDNHRTSA-N 352.416 0.901 0 50 FCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)CN2CCC(=O)NC2=O)C1 886094181 RMPDGTKOIUBKNP-MCIONIFRSA-N 352.435 0.029 0 50 FCAA CCc1ccc(C(=O)NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)cc1 952848305 DSEWISZFYMMUSM-ARFHVFGLSA-N 358.442 0.966 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)NC[C@H]2CCN(c3ccccc3F)C2)C1 952860397 OWEPGPYCKZUUEK-CABCVRRESA-N 362.449 0.966 0 50 FCAA Cn1ncc2c(N)nc(N3CC[C@H](O)[C@](CO)(Cc4ccccc4)C3)nc21 1529099937 IUPABOQRKNSHHI-HNAYVOBHSA-N 368.441 0.738 0 50 FCAA COCC(=O)N1CC[C@H](NC(=O)c2ccccc2-n2cccn2)[C@@H](O)C1 1565525533 VWRQUHYJBDWDHW-HOCLYGCPSA-N 358.398 0.210 0 50 FCAA O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772705004 VEZDWWVLDMCXQV-KCPJHIHWSA-N 364.829 0.752 0 50 FCAA CO[C@H]1C[C@@H](C(=O)NCc2cc(C3CC3)n[nH]2)CC[C@@H]1NS(C)(=O)=O 1857689118 GBLPCTPLWARSLG-WHOFXGATSA-N 370.475 0.636 0 50 FCAA CCN1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCCN3C(C)C)CC2)C1 1875271535 MMRWTYYVSHXCAK-QZTJIDSGSA-N 352.523 0.724 0 50 FCAA NCc1cc(O)nc(CNC(=O)c2ccc([C@H]3CCCC(=O)N3)cc2)n1 1875346762 MWTPUMOJMYVAPV-CQSZACIVSA-N 355.398 0.912 0 50 FCAA CNC(=O)C1CN(C(=O)c2nn(CCOC)c3c2C[C@H](C)O[C@@H]3C)C1 1875404105 VBEGVBKYSYRZCS-WDEREUQCSA-N 350.419 0.370 0 50 FCAA Cc1nc[nH]c(=NC[C@@]2(CNC(=O)c3cnnn3C)CC23CCC3)c1F 1875405176 WTJPOOCGJHTUQV-QGZVFWFLSA-N 359.409 0.877 0 50 FCAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1nnc(NS(C)(=O)=O)s1 2325854221 SNYMDHZBJHUJSP-ZETCQYMHSA-N 356.433 0.702 0 50 FCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2n[nH]c(=N)s2)OCC(=O)N1C 2356169848 JFHAEYBZXUDRIM-KGLIPLIRSA-N 361.427 0.474 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2 2356170152 XPWFKKQFRHNCFL-KXBFYZLASA-N 360.410 0.785 0 50 FCAA COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@]12C(=O)N(C)c1ccccc12 4751281 JWODTLJAMCQACK-IBGZPJMESA-N 368.345 0.946 0 50 FCAA CN1CCNC(=O)C12CCN(C(=O)c1cc(=O)c3ccccc3[nH]1)CC2 67724568 VIWRGJZBBPQCLK-UHFFFAOYSA-N 354.410 0.565 0 50 FCAA Cc1c(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)cnc2ccnn12 72172957 YICFVMRFZSQPKB-UHFFFAOYSA-N 353.386 0.386 0 50 FCAA O=C(N1CCCC1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72418536 FZVKXKBIRLABEN-CVEARBPZSA-N 364.471 0.581 0 50 FCAA CC(=O)N1CCN(C(=O)c2cccc3ncccc23)[C@H]2CS(=O)(=O)C[C@H]21 72424915 ZETVJCCBNKVGCE-SJORKVTESA-N 373.434 0.705 0 50 FCAA COCCCN1C[C@@]2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O 72433758 PXZJHFLOKHZSDQ-SFHVURJKSA-N 364.446 0.304 0 50 FCAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1c[nH]c(=O)n(C)c1=O 72473405 NFXQMBDVHADVCL-UHFFFAOYSA-N 355.354 0.325 0 50 FCAA CN(C)CCN1C[C@@H](C(=O)NCc2ccccc2Cn2cccn2)CC1=O 74191217 SBWLQDAQFOZUEV-SFHVURJKSA-N 369.469 0.958 0 50 FCAA O=C(N[C@@H]1CCN(C(=O)CSc2ccncc2)C[C@H]1O)c1ccncc1 77505075 LTDNOTDUCSRZBM-HZPDHXFCSA-N 372.450 0.961 0 50 FCAA Cc1nc(C)c(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)s1 91547867 LWVHCYPQRMWDSA-ZIAGYGMSSA-N 366.487 0.461 0 50 FCAA COc1cccc(CN2C[C@H](C(=O)NCc3n[nH]c(=O)[nH]3)CCC2=O)c1 91586931 QGXJTPCXCJOJLE-GFCCVEGCSA-N 359.386 0.162 0 50 FCAA O=C(c1cccc(Cn2cccn2)c1)N1CCN(c2cn[nH]c(=O)c2)CC1 91636109 UJCXSTMHFRCIDW-UHFFFAOYSA-N 364.409 0.977 0 50 FCAA CCOCCN1CCN(C(=O)c2ccc(Cn3nnnc3C)cc2)CC1 97447087 HZFPZSSZXWYDBA-UHFFFAOYSA-N 358.446 0.824 0 50 FCAA Nc1ncc(Br)cc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 119302803 LURXASXWUGGPGV-MRVPVSSYSA-N 373.236 0.831 0 50 FCAA Cc1cccc2[nH]c(COCC(=O)NCCc3nc(N)cc(O)n3)nc12 218799502 ZLICJCSCWJDBID-UHFFFAOYSA-N 356.386 0.825 0 50 FCAA CNc1ncc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)cn1 219659973 KZLBZILRZYNICI-HZPDHXFCSA-N 358.398 0.977 0 50 FCAA CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(C)C[C@H]32)C1=O 229906162 XGFZCAHWDPTRQK-HNAYVOBHSA-N 356.426 0.836 0 50 FCAA O=C(CCN1CCN(S(=O)(=O)N2CCCC2)CC1)Nc1cccnc1 243885762 ACAGOABIIDLCPX-UHFFFAOYSA-N 367.475 0.368 0 50 FCAA COCCn1nnnc1[C@H]1CN(Cc2nc(-c3ccco3)no2)CCO1 244715990 LGKQUOZIRBJMSR-GFCCVEGCSA-N 361.362 0.536 0 50 FCAA CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)cc1 328593078 UIDUMDHNEFYNGF-QPJJXVBHSA-N 352.412 0.931 0 50 FCAA CNc1nc(C)cc(-c2ccc(C(=O)NCCc3nnc(O)n3C)cc2)n1 426393105 YKXWHASRKFSCOL-UHFFFAOYSA-N 367.413 1.300 0 50 FCAA CNC(=O)c1cc(NC(=O)NCCSc2nnnn2C)ccc1F 426412976 OPSQGQGJQXCAAL-UHFFFAOYSA-N 353.383 0.623 0 50 FCAA NC(=O)c1cc(C(=O)NCCCc2nc(O)n[nH]2)nn1-c1ccccc1 478807954 XVENUTALQWCIOF-UHFFFAOYSA-N 355.358 0.158 0 50 FCAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cn(C)cn1 886048103 QYZWDTCAKILPBQ-DOMZBBRYSA-N 353.448 0.827 0 50 FCAA COc1ccc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1F 886077493 APEZYSUNBSEXOG-KRWDZBQOSA-N 351.378 0.237 0 50 FCAA COc1nccnc1N1CCC(CNC(=O)c2ccc(=O)n(C)n2)CC1 1506409952 AYZRIXPIMSPQTM-UHFFFAOYSA-N 358.402 0.225 0 50 FCAA C[C@@H]1CN(C(=O)c2cc(-n3cnnn3)n[nH]2)CCN1c1ccc(F)cn1 1857676747 LRJSYKAMRFZIGV-SNVBAGLBSA-N 357.353 0.270 0 50 FCAA CCCNC(=O)c1cc2c(s1)C1(CCN(S(N)(=O)=O)CC1)OCC2 1857702957 JXDNGYCLMPDLSA-UHFFFAOYSA-N 373.500 0.955 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@H](CN3C(=O)CNC3=O)C2)cc1 1875372071 VOOIDIDBLBGGKO-CYBMUJFWSA-N 370.409 0.849 0 50 FCAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3nnc4n3CCC4)cn12 2100478143 VBPZJJQISVVSSI-OAHLLOKOSA-N 355.402 0.886 0 50 FCAA COc1ccccc1CN1CCN2C(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H]2C1 14743594 DMJLRGUTUUVNBQ-JKSUJKDBSA-N 369.425 0.172 0 50 FCAA CCOC(=O)N1CCN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 19851072 KLGYENIHJOWWRV-OAHLLOKOSA-N 356.444 0.898 0 50 FCAA O[C@@H]1CN(Cc2cnc(N3CCOCC3)s2)CC[C@H]1N1CCOCC1 20539481 HUGQXYNBTVOBLI-HZPDHXFCSA-N 368.503 0.247 0 50 FCAA O=C(O)c1c(S(=O)(=O)N2CCC[C@@H](CO)C2)sc2c1CCNC2 67674748 LLELDOXVRZJBKG-SECBINFHSA-N 360.457 0.485 0 50 FCAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCn2nc(CN3CCCC3)cc2C1 72408492 LDHKVMCJJSSVFX-AWEZNQCLSA-N 364.471 0.770 0 50 FCAA COc1cccc([C@H]2CN(C(=O)Cn3cnnn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72424942 IJTJJXZZYXAJKS-BHIYHBOVSA-N 368.441 0.771 0 50 FCAA COc1ccc2[nH]c(=O)c(CN3C[C@H]4C(=O)NC[C@@]4(C(=O)O)C3)cc2c1 72433389 PTOFCBIDWWZCIF-SCLBCKFNSA-N 357.366 0.169 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3CCN(CCn4cncn4)CC3)cnc21 77300281 RJTIUPHOSZSQCR-UHFFFAOYSA-N 369.433 0.083 0 50 FCAA O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@](O)(CN2CCCC2)C1 77321545 NZJSUYXHAVKRAM-IBGZPJMESA-N 371.441 0.567 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1ccnc1)C2 91391021 FCVUNIFKZIFCEY-LSDHHAIUSA-N 369.491 0.393 0 50 FCAA O=C(O)CCN1CCN(C(=O)CCC(F)(F)F)[C@H]2CS(=O)(=O)C[C@H]21 91724537 GONYVIZXVHYLTB-ZJUUUORDSA-N 372.365 0.113 0 50 FCAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N(CCN1CCOCC1)Cc1ccco1 91965571 VANQIEBYLZAFMS-OAHLLOKOSA-N 361.442 0.951 0 50 FCAA COCCN1C[C@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)CCC1=O 92061559 RBQQIQHXQSJVKF-CYBMUJFWSA-N 372.425 0.467 0 50 FCAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCn3ccnn3)ccc21 95369627 MMGUAUPVZJWWSV-AWEZNQCLSA-N 369.429 0.556 0 50 FCAA O=C(CN1CCOCC1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95386710 CDMMSJXWWCHJKT-HNAYVOBHSA-N 360.410 0.483 0 50 FCAA COc1ccc(NC(=O)N2CCN(C(C)=O)CC2)cc1NS(C)(=O)=O 96135747 NQHSXWYWRBHQIF-UHFFFAOYSA-N 370.431 0.763 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 97679942 GWUCLSFPDHYVPO-QZTJIDSGSA-N 367.453 0.925 0 50 FCAA C[C@@H]1COc2ccccc2N1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 175361659 PCUZNZYADWRFQA-LLVKDONJSA-N 369.381 0.248 0 50 FCAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)nn1 179779131 KMZHXYNGVQRJQQ-LBPRGKRZSA-N 361.377 0.380 0 50 FCAA COc1ccc2[nH]c(CNC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)cc2c1 219919097 VHERJTZRHDTQAJ-CQSZACIVSA-N 365.455 0.912 0 50 FCAA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 222562156 JCDHLFYOZBZDRG-HIFRSBDPSA-N 366.801 0.891 0 50 FCAA CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C(=O)OCC)C1 229694563 OSPCJZUCESGQIJ-IGQOVBAYSA-N 370.446 0.928 0 50 FCAA Cc1cnn(CC(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)c1 244816958 SRSPOBLTWQSYQU-HDJSIYSDSA-N 354.418 0.627 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(N(C)C)nc1)C2 247981683 JOSJARKYXGTRIP-CVEARBPZSA-N 359.474 0.659 0 50 FCAA O=C1CCN(CC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)C(=O)N1 262042191 QFSTWYFRKNFXGA-ZDUSSCGKSA-N 350.806 0.755 0 50 FCAA Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H]3C(=O)O)C2=O)cc1 262921771 VIPCNSNVUKDETC-SCLBCKFNSA-N 359.382 0.838 0 50 FCAA O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCCNc1ncccn1 263588335 RZNAHQIWNROARN-ZDUSSCGKSA-N 354.370 0.520 0 50 FCAA CC(=O)c1c(C)nn(CC(=O)N2CCN(c3cc(C)nc(N)n3)CC2)c1C 299777996 FHHZOLOWLCGLIW-UHFFFAOYSA-N 371.445 0.732 0 50 FCAA COc1c(C)cnc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1C 299785180 JLONYVGFJJPHAH-UKRRQHHQSA-N 372.491 0.038 0 50 FCAA CN1C(=O)CO[C@@H](C(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)[C@H]1c1cnn(C)c1 333304388 KRTRIJVDEASILO-UKNGXSGASA-N 370.453 0.989 0 50 FCAA COc1cc(CN2CCNC(=O)C[C@@H]2C)cc(Cl)c1OCC(N)=O 368590483 CZTUYZWPFLHMQH-JTQLQIEISA-N 355.822 0.923 0 50 FCAA CCCS(=O)(=O)N1CCC(NC(=O)c2cc(C(=O)O)ccn2)CC1 416421293 ZPVLCXJVEYDWEF-UHFFFAOYSA-N 355.416 0.714 0 50 FCAA Cc1cc(-n2cnnn2)cc(NC(=O)NCCSc2nnnn2C)c1C 426574665 DSEBGRWENYZQMK-UHFFFAOYSA-N 374.434 0.716 0 50 FCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2 952849739 GASKGLXDFWQJEZ-BEFAXECRSA-N 359.426 0.487 0 50 FCAA CN1CC(N2C[C@H](C(=O)Nc3ccn(-c4ncccc4F)n3)CC2=O)C1 952888565 QMTYDPDGUPUXKP-LLVKDONJSA-N 358.377 0.507 0 50 FCAA COc1ccc(CCNC(=O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1 1506417443 IQTXZHGRGFXELG-UHFFFAOYSA-N 358.446 0.934 0 50 FCAA Cn1cc([C@H]2CN(c3cc(N4CCCC4)cnn3)C[C@H]2CC(=O)O)nn1 1565526392 QTPWXVFQZDCYFC-OCCSQVGLSA-N 357.418 0.900 0 50 FCAA COc1cc(-c2onc(N(C)C)c2C(=O)NC(CO)CO)ccc1F 1704310457 XUUSWSDYGOYSEX-UHFFFAOYSA-N 353.350 0.638 0 50 FCAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]12 1704344898 QAYRFFYYODYJEU-KUHUBIRLSA-N 370.409 0.706 0 50 FCAA O=C(COc1ccc(-n2cnnn2)cc1)NCc1[nH]nc2ncccc12 1772815079 CVVWDKOPYDZOMY-UHFFFAOYSA-N 350.342 0.629 0 50 FCAA Cc1cccnc1NCCNS(=O)(=O)CC[C@@H]1CCS(=O)(=O)C1 1857692785 UJEZUAOTYODJCJ-ZDUSSCGKSA-N 361.489 0.546 0 50 FCAA Cc1nnc(N2C[C@H](C(=O)N3CCC(n4cnnc4)CC3)CC2=O)s1 1857712932 OJYWJZLLZMYCBQ-LLVKDONJSA-N 361.431 0.655 0 50 FCAA CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)cc1 1857731638 NKLCDYXOOPUVHN-BNOWGMLFSA-N 353.444 0.186 0 50 FCAA Cc1nsnc1C(=O)N1CCC([C@H](O)CN2CCN(C)CC2)CC1 1857739725 PXENFNOTJBPMBL-CQSZACIVSA-N 353.492 0.307 0 50 FCAA CCc1cccc(C)c1N1C[C@@H](C(=O)N[C@H]2CCC(=O)NC2=O)CC1=O 1857798102 OZSBJGINUNTJDU-KBPBESRZSA-N 357.410 0.832 0 50 FCAA Cc1cc(C(F)F)n2ncc(C(=O)N3CC4(CC(=O)NC[C@@H]4O)C3)c2n1 1875278587 MOQLYAULSVUOII-NSHDSACASA-N 365.340 0.298 0 50 FCAA CC(C)c1nc(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)cs1 1875331562 NLYGNQIATXVSQM-ZJUUUORDSA-N 353.448 0.525 0 50 FCAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CNc3ccccc3N(C)C2=O)C1 1875371950 RDQLNKIYNFXQSH-HIFRSBDPSA-N 356.426 0.984 0 50 FCAA C[C@H](O)[C@H]1C[C@H]1C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cc1cnccn1)C2 1875407599 DQXDZVTZVIVTEB-QICMWSIFSA-N 358.442 0.674 0 50 FCAA C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@H](NC(=O)c2ccccc2)C1 2325738534 DDPXCISWHIUGSI-UZLBHIALSA-N 369.421 0.630 0 50 FCAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1cn([C@@H]2COC[C@@H]2N)nn1 2325849256 JOPGBJUNPJARTQ-IFUGULHKSA-N 356.386 0.160 0 50 FCAA O=C(N[C@@H](CO)CNC(=O)c1cncc2ccccc12)c1ccncn1 2325871729 WPRHJRLOKQGEMN-CYBMUJFWSA-N 351.366 0.546 0 50 FCAA C[C@@H]1CN(C2CC2)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 2356166826 BCGYQFGQKKSJCV-LLVKDONJSA-N 351.428 0.875 0 50 FCAA CC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1056772 GIIGCHQMFQTUJU-CQSZACIVSA-N 374.484 0.173 0 50 FCAA CCOC(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 2857757 QMGRJERCQYXCRU-UHFFFAOYSA-N 355.416 0.972 0 50 FCAA CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 4832691 BZDYIEUHNNTMJU-UHFFFAOYSA-N 369.443 0.656 0 50 FCAA O=C(Cn1ncc(N2CCNCC2)cc1=O)N[C@@H]1CCc2ccccc21 20637022 JGHHNJSZYXAWAL-QGZVFWFLSA-N 353.426 0.457 0 50 FCAA O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCCn3nnnc32)CC1 55327123 WKHZHJFTUDDSKD-OAHLLOKOSA-N 354.414 0.925 0 50 FCAA COCCN1CCC[C@@](O)(CN2CCN(c3cc(C)ccn3)CC2)C1=O 67820182 KQEJUYUKKQSDNL-LJQANCHMSA-N 362.474 0.512 0 50 FCAA O=C(c1ccc2c(=O)[nH]nc(O)c2c1)c1ccc2c(O)n[nH]c(=O)c2c1 71769572 KSEGLHLBDPSJDH-UHFFFAOYSA-N 350.290 0.802 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(c2cnccn2)C1 72428497 BAWZOBIJICTGTK-CQSZACIVSA-N 357.462 0.946 0 50 FCAA CC(C)=CCN1CCN(C(=O)c2ccc[nH]c2=O)[C@H]2CS(=O)(=O)C[C@H]21 72481029 RLEKFRGYUHZINU-CABCVRRESA-N 365.455 0.265 0 50 FCAA COc1cccc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77337269 TZPXCJSUPOTQPQ-DLBZAZTESA-N 374.466 0.973 0 50 FCAA Cc1[nH]nc(O)c1CC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 77390009 CAPBDOOZAOVJQP-UHFFFAOYSA-N 361.450 0.563 0 50 FCAA Cc1ccc2c(c1)c(C(=O)N1CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]31)nn2C 77407239 BQCDVINTNQJFNQ-CABCVRRESA-N 362.455 0.435 0 50 FCAA NC(=O)CN1C(=O)[C@]2(CCN(C(=O)C3CCOCC3)C2)c2ccccc21 85474689 CZEKPHRSNFABAI-IBGZPJMESA-N 357.410 0.415 0 50 FCAA CNC(=O)CN1C[C@H](C(C)C)[C@@H](NC(=O)C2CCN(C(C)=O)CC2)C1 92020925 QRYBCGMLFSDDMN-CVEARBPZSA-N 352.479 0.064 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCO)CN1Cc1ccc2ccn(C)c2c1 95529417 BTQYCEHXBSWNRA-WMZOPIPTSA-N 372.469 0.756 0 50 FCAA Cc1csc2c(=O)n(CC(=O)NCC(C)(C)N3CCOCC3)cnc12 192449938 WJIZJSUXLXGJDG-UHFFFAOYSA-N 364.471 0.993 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)cc1 215766904 BVDCFQYMYQPKKB-LBPRGKRZSA-N 366.399 0.541 0 50 FCAA O=C(Cn1nnc(-c2ccccc2)n1)NCCc1noc([C@H]2CCCO2)n1 219521723 KSVUVQRPRCYNKF-CYBMUJFWSA-N 369.385 0.934 0 50 FCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 219897373 ANMWNXXAEYCVBC-SNVBAGLBSA-N 350.762 0.113 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)N3CCOC[C@H]3CO)CCC2)cc1 222593904 CFGBDEHADXJVOB-CQSZACIVSA-N 353.440 0.732 0 50 FCAA COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O 229918199 GCRWUKWTPOCZEL-KSSFIOAISA-N 359.382 0.159 0 50 FCAA C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CCN(C)[C@@H]2C)CCN1C 241653361 PUMKDNLVIBSQGR-KLHDSHLOSA-N 352.523 0.925 0 50 FCAA CC(=O)[C@@]12[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H]1[C@@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 252427769 FCTNJUJIKYLXCW-YQAIDTGESA-N 369.211 0.947 0 50 FCAA C[C@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 264248538 ZVXSITNYHRBUID-UONOGXRCSA-N 363.414 0.638 0 50 FCAA CCn1nccc1S(=O)(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299796879 PYCFLARICJMUDO-FQLMCAECSA-N 371.459 0.080 0 50 FCAA CN(C[C@@H]1CN(Cc2ncc(Cl)n2C)CCO1)c1nccn(C)c1=O 328621409 AKJAKIIHIHSTSR-GFCCVEGCSA-N 366.853 0.504 0 50 FCAA CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1cnn2c1OCCC2 333196868 UHHIZNGNOYBOQI-LLVKDONJSA-N 374.488 0.598 0 50 FCAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CCn2ccnc2C)[C@H](O)C1 426485543 HPDNSASPEBARJH-IAGOWNOFSA-N 361.446 0.938 0 50 FCAA COc1ccc(C(=O)N2CCC[C@@H]2C(=O)O[C@H]2CCC(=O)NC2=O)cc1 798791621 VLCLZMWIMZFXDZ-KGLIPLIRSA-N 360.366 0.648 0 50 FCAA COc1cccc(F)c1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 886096539 LKMPQQHADPWJCD-KRWDZBQOSA-N 351.378 0.237 0 50 FCAA CCn1nnc(C)c1C(=O)NC[C@@H]1C[C@H](OC)CN1c1cc(C)ncn1 952891204 XXIKZXPQHSBNMQ-KBPBESRZSA-N 359.434 0.729 0 50 FCAA CCOCC(=O)N1CCC(C(=O)N2CCN(C)C(=O)[C@H]2C(C)C)CC1 952980076 WBBVGNXZYJMYHT-MRXNPFEDSA-N 353.463 0.587 0 50 FCAA COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)N(C)C)C2)cc1Cl 1506399411 FWRSEQANQDFQBT-CYBMUJFWSA-N 362.835 0.826 0 50 FCAA CNC(=O)CCN(C)C(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 1529190666 LKSKVKGQARJFGU-MSOLQXFVSA-N 361.442 0.958 0 50 FCAA Cn1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)cc1=O 1565507259 ZJIRYOBSSRSEKH-IRXDYDNUSA-N 358.394 0.844 0 50 FCAA Cn1cc([C@H]2CN(CC(=O)NCc3ccccc3)C[C@H]2CC(=O)O)nn1 1565509211 IVZFXTXAYUYBHH-CABCVRRESA-N 357.414 0.622 0 50 FCAA O=C(N[C@H]1CCN(Cc2cccc3nonc23)C[C@@H]1O)c1cccnc1 1565529763 ZMMWRLASBWATRT-HOCLYGCPSA-N 353.382 0.983 0 50 FCAA CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)C1CCOCC1)C2 1704333391 ZEYNQQSZCYRAPO-RDJZCZTQSA-N 362.474 0.989 0 50 FCAA CCn1cnnc1CN1C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@]2(CO)C1 1772709974 KYBYEKVPJYHIEC-APWZRJJASA-N 370.457 0.188 0 50 FCAA COc1nc2ccccc2nc1CCC(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772804884 DLIVUDRPQBDTIA-LJQANCHMSA-N 370.409 0.689 0 50 FCAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(CCO)CC1 1857714436 URWNFONMTDXTLZ-HNNXBMFYSA-N 373.457 0.966 0 50 FCAA C[C@@H](O)c1ccc(CNC(=O)NC[C@]2(CO)COC[C@H]3CCCN32)cc1 1875278123 APPRVMHRSDFBJM-BJZITVGISA-N 363.458 0.765 0 50 FCAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@@H](C)NC(=O)C1CCCC1 1875313028 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AKIVAEMHBBAVNN-KRXQYRFLSA-N 364.350 0.801 0 50 FCAA biogenic CN1CCN(C(=O)c2cc3n(n2)CCN(C(=O)[C@@]2(C)CCCO2)C3)CC1 65495531 OKFWYSMTXIYPRA-GOSISDBHSA-N 361.446 0.182 0 50 FCAA CNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(-c2ccccn2)s1 67772951 RRJIPOQPFVIHGV-JQWIXIFHSA-N 366.468 0.646 0 50 FCAA Nc1nc2c(c(NC[C@H](c3cccnc3)N3CCOCC3)n1)CCNC2 67784333 QZJJQNCEPPCARY-MRXNPFEDSA-N 355.446 0.585 0 50 FCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)cc1 72139093 WJGKMBGEVMWFBE-QGZVFWFLSA-N 361.442 0.635 0 50 FCAA O=C(O)CCc1cc2n(n1)CCN(C(=O)COC[C@@H]1CCCCO1)C2 72418620 JTZKPUQRYVBOAE-HNNXBMFYSA-N 351.403 0.828 0 50 FCAA CCN1C[C@@]2(C(=O)O)CN(C(=O)Cc3cnc4ccccn34)C[C@H]2C1=O 72448095 NPHVHYQTJGGEAQ-SCLBCKFNSA-N 356.382 0.268 0 50 FCAA COCCN(C)CCN1CC2(CCN(C3CCNCC3)CC2)OC1=O 72478332 LUZCOPDQRWKGBA-UHFFFAOYSA-N 354.495 0.603 0 50 FCAA Cc1ccc(N2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 82155841 FVXVGRWHOCOAJF-AWEZNQCLSA-N 350.440 0.995 0 50 FCAA CCCCC(=O)N1CCN(C(=O)c2cnccn2)[C@H]2CS(=O)(=O)C[C@H]21 82156424 MJTNGIUYGOZPRT-KGLIPLIRSA-N 366.443 0.117 0 50 FCAA Cc1ccnn1CC(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 91364793 LXNIZOJDOZCMNG-LJQANCHMSA-N 367.409 0.194 0 50 FCAA COc1ccccc1-n1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1 91550386 HSRBIAHQISNXQT-UHFFFAOYSA-N 364.427 0.598 0 50 FCAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1nnnc1C)CC2 91595793 JTSRMRZVYHCIHX-UHFFFAOYSA-N 372.433 0.017 0 50 FCAA O=C(NCCSc1cn[nH]n1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 91635436 JTAFZDKRYBWPBE-CYBMUJFWSA-N 374.470 0.889 0 50 FCAA COCCCN1CCC[C@@]2(CCN(Cc3nc(C(N)=O)no3)C2)C1=O 91635811 JOMWJJDWYOKMCZ-INIZCTEOSA-N 351.407 0.020 0 50 FCAA CN1CC[C@@]2(CCC1=O)CN(Cc1cc(=O)n3ccccc3n1)CCN2C 91872022 FGEJJKBIQBDHRD-FQEVSTJZSA-N 369.469 0.823 0 50 FCAA Cn1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)c(=O)[nH]c1=O 95378138 SSARRPCIMORNKU-ZDUSSCGKSA-N 357.366 0.792 0 50 FCAA C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCS1(=O)=O 128812980 TWOYPJOFDPHVBY-HZSPNIEDSA-N 352.460 0.877 0 50 FCAA CCn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1C 212756234 PTZZXKPZWNOTTN-KGLIPLIRSA-N 361.446 0.363 0 50 FCAA Cc1nc(CN2CCN(C(=O)COc3ccc4nncn4n3)CC2)cs1 219225955 DORZMOFEPOMPGR-UHFFFAOYSA-N 373.442 0.612 0 50 FCAA O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1CNCCO1 238007526 RSAUPZRHSAXUJL-GWCFXTLKSA-N 359.220 0.293 0 50 FCAA CNS(=O)(=O)CC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275591933 KGGHWRDRMCOTFK-CYBMUJFWSA-N 368.459 0.211 0 50 FCAA O=C1NC(=O)[C@]2(CCCN(C(=O)CC[C@@H]3Cc4ccccc4NC3=O)C2)N1 279484909 MUFGRLIGHITQEE-BFUOFWGJSA-N 370.409 0.778 0 50 FCAA COc1cc(CCC(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1C 299789228 UQCINPIAXIQBDY-ROUUACIJSA-N 361.486 0.755 0 50 FCAA Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCC2(CC1)CNC(=O)N2C 333403808 GEJPWSLBHOKPSJ-UHFFFAOYSA-N 372.429 0.610 0 50 FCAA Cc1nnc2n1C[C@H](NC(=O)N[C@@H](C)C(=O)NCc1ccccc1)CC2 378562627 RFLPIUUHODFVNX-SWLSCSKDSA-N 356.430 0.905 0 50 FCAA CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3cn(C)nc3OC)C2)ccn1 883970163 IRRBQASLAIPDTJ-CYBMUJFWSA-N 373.413 0.867 0 50 FCAA CO[C@H]1C[C@@H](CNC(=O)CCc2ccnn2C)N(c2cc(C)ncn2)C1 952890663 GARIHTMZKHHVLJ-HOTGVXAUSA-N 358.446 0.861 0 50 FCAA COc1cccc([C@H](C(=O)O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c1 1506427601 RCCNMHHRTNPBOF-CQSZACIVSA-N 360.414 0.703 0 50 FCAA Cc1cc2c(cc1CN1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1)OCCO2 1529110407 NHPKXIJBOLVGKG-LSDHHAIUSA-N 370.471 0.450 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)Cn2ccc3ccccc32)[C@@H](O)C1 1565506771 HHLZQYKKQQGDAC-RDJZCZTQSA-N 358.442 0.281 0 50 FCAA O=S1(=O)C[C@@H]2[C@H](C1)N(c1ncccn1)CCN2CCCCCCO 1565513323 BUJRLGOLKCEPIZ-CABCVRRESA-N 354.476 0.317 0 50 FCAA Cn1c(=O)oc2ccc(C(=O)N[C@H]3CCOC[C@@H]3OCC(=O)O)cc21 1565526524 MGXWFTVBZSUCGB-GWCFXTLKSA-N 350.327 0.120 0 50 FCAA COc1ccc([C@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]2NC(C)=O)cc1 1565528410 IAYHUQPRLJTQBW-MSOLQXFVSA-N 369.421 0.988 0 50 FCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cnc(N2CCN(C)CC2)nc1C 1565529857 XGZJNFIEKICHLO-HOTGVXAUSA-N 363.462 0.461 0 50 FCAA CC(C)Cc1cc(C(=O)N[C@H]2CCN(c3cnccn3)C[C@@H]2O)nc(N)n1 1565529858 YFOFVKZXSDAGCY-ZFWWWQNUSA-N 371.445 0.417 0 50 FCAA COc1cc(S(=O)(=O)N2C[C@@H]3CNC(=O)C[C@@H]3C2)c(OC)cc1C 1775977524 JULJMJLZJQPHFA-NEPJUHHUSA-N 354.428 0.769 0 50 FCAA Cc1c(-c2nc(CC(N)=O)nn2[C@@H]2CCS(=O)(=O)C2)nc2ccccn12 1857675075 JYVRBVBXUSVENG-LLVKDONJSA-N 374.426 0.289 0 50 FCAA CN(CCc1ccccn1)C(=O)[C@@]12CCCCN1C[C@@H](NC(=O)CO)C2 1857685093 OOWANHOFLBDZLT-LPHOPBHVSA-N 360.458 0.188 0 50 FCAA C=CC(=O)N1CCC(C(=O)NC[C@H]2COC[C@H]2O)(c2ccccc2)CC1 1875271181 QMSBZARAULHLAM-DOTOQJQBSA-N 358.438 0.856 0 50 FCAA CO[C@@H]1CN(c2ccnc(NCc3nc4ncccn4n3)n2)C[C@@H]1N(C)C 1875398182 FUCCTHNAXGBFKB-QWHCGFSZSA-N 369.433 0.292 0 50 FCAA Cn1ccnc1[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H]1N 2325774988 OPPVVHGPWBDQIC-HUUCEWRRSA-N 351.414 0.627 0 50 FCAA O=C(Cc1cnc(O)nc1O)N1CCc2nc(C3CCOCC3)nn2CC1 2356139549 RRTGMIXSEVEXJA-UHFFFAOYSA-N 374.401 0.001 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@@H](O)c1cccc(O)n1 2356146135 UBCNJEYBHBHXSL-OAHLLOKOSA-N 372.429 0.101 0 50 FCAA O=C1CCc2c1cccc2C(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@@H]1O 2356148544 FCWSVAGJGMTXHN-IWEFOYFVSA-N 372.421 0.544 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@]23CCCNC3=O)cc1 2356168823 PBRPRXXFWPUEDH-HNNXBMFYSA-N 372.468 0.523 0 50 FCAA Cc1cnn(C)c1S(=O)(=O)N1C[C@H]2[C@@H](CN(C)C)[C@@H]3CC[C@@]2(C1)O3 2356158086 CHZNPVAENMCLDL-HOSILWTGSA-N 354.476 0.458 0 50 FCAA Cc1nc([C@@H]2CCCNC2)cc(N2CCN(C(=O)c3ncn[nH]3)CC2)n1 67784289 DDWVMECOZMYEGD-CYBMUJFWSA-N 356.434 0.333 0 50 FCAA CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)cc21 249634079 WBFRXZDBJSXANQ-VZKYEUNXSA-N 362.451 0.985 0 50 FCAA CNc1cc(C)nc(N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)n1 216316038 OXKZPHXNWQOXDD-QWHCGFSZSA-N 356.496 0.684 0 50 FCAA CCn1cc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 77436928 SNXSKNKAOJAGSL-LSDHHAIUSA-N 362.459 0.181 0 50 FCAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1 71681712 DNKFCAXSAJSHAO-CQSZACIVSA-N 360.462 0.260 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 77299444 FJJBVHLRBMKFGN-INIZCTEOSA-N 361.446 0.318 0 50 FCAA O=C([C@H]1CNCCO1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 215898023 WRFFWRCOGCXOCX-HXUWFJFHSA-N 372.513 0.784 0 50 FCAA CCn1c(CC2CCNCC2)nn(Cc2noc([C@H]3CCCO3)n2)c1=O 71752090 BBLIAFHTNMCZPR-CYBMUJFWSA-N 362.434 0.890 0 50 FCAA COc1ccc(CN2CCN(C(=O)[C@@H](O)CCSC)CC2=O)cc1 77354934 VBXOYLGTKCNCFN-HNNXBMFYSA-N 352.456 0.980 0 50 FCAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(N)=O)o1 175777427 HSEDLFRXMBDKRW-CQSZACIVSA-N 354.370 0.774 0 50 FCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 426422709 BJPUYYOQFBJBCA-NSHDSACASA-N 352.412 0.914 0 50 FCAA O=C(NC1CCN(Cc2cccnc2)CC1)N1CCN2C(=O)OC[C@@H]2C1 426521211 JVDUSBKWTBNIGG-INIZCTEOSA-N 359.430 0.892 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ncc[nH]1)CC2 95501646 STTOLGLGPLETFK-UHFFFAOYSA-N 358.402 0.295 0 50 FCAA Cc1ccnn1CC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 95357793 ULZWYJCVHPYCEH-OAHLLOKOSA-N 368.445 0.971 0 50 FCAA CN(Cc1ccc2c(c1)OCO2)C(=O)CN1CC2(CCNCC2)OC1=O 95529172 BOAYMEFJERVZHW-UHFFFAOYSA-N 361.398 0.948 0 50 FCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(CCCNC3=O)C2)c1 91747118 PKZMGMIGTKNMSR-HNNXBMFYSA-N 355.391 0.215 0 50 FCAA COCCC[C@]1(C(=O)O)CCCN(CCCS(=O)(=O)N(C)C)C1 91625953 JQAKSDHHNNWHJY-OAHLLOKOSA-N 350.481 0.861 0 50 FCAA COCCCNC(=O)c1cccc(S(=O)(=O)NCc2nccn2C)c1 95388468 PSESKZHKPFVJTJ-UHFFFAOYSA-N 366.443 0.665 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCOC2=O)cc1 91964657 UHAOFRSAUFKNAY-UHFFFAOYSA-N 355.416 0.557 0 50 FCAA CC1=NC2(CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)C(=O)N1 252500566 SXWANLLDVLLJBB-MRXNPFEDSA-N 368.437 0.912 0 50 FCAA O=C1NCC(=O)N2CCN(C3CCN(CCc4ccccc4)CC3)C[C@@H]12 65372906 DAMFQVOGRDLYCE-SFHVURJKSA-N 356.470 0.336 0 50 FCAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 299788377 OVOXDPWAZNRLCQ-ZDUSSCGKSA-N 372.429 0.258 0 50 FCAA O=C(O)c1ccc(F)c(S(=O)(=O)NCCN2CCC[C@H](CO)C2)c1 670450751 DLRWJSCJAWLRBG-NSHDSACASA-N 360.407 0.507 0 50 FCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)Cc1cc(F)cc(F)c1 1565530108 PWHCEYOBGZMTQZ-GJZGRUSLSA-N 356.369 0.886 0 50 FCAA 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352.354 0.407 0 50 FCAA CC(C)Cn1c(CN(C)CCN2CCOCC2)cnc1S(C)(=O)=O 19838637 ABHQAWQBUYVJEV-UHFFFAOYSA-N 358.508 0.707 0 50 FCAA CN(C(=O)C(=O)N1CCC(Cn2cc(CN)nn2)CC1)c1ccccc1 23478160 FQKBGKQVPZSZLH-UHFFFAOYSA-N 356.430 0.638 0 50 FCAA Cc1cc(C)n(-c2cc(N3CCN(S(C)(=O)=O)CC3)nc(C)n2)n1 38670405 IHTBLJNOTQSQAY-UHFFFAOYSA-N 350.448 0.669 0 50 FCAA O=C(O)c1c(S(=O)(=O)NCCn2cccc2)sc2c1CCNC2 67740804 UQYHPGVYDANWLM-UHFFFAOYSA-N 355.441 0.872 0 50 FCAA CN1C[C@@H](NC(=O)OCC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCCCNC1=O 67883485 KKFYVCNSNWNJDW-IHRRRGAJSA-N 368.478 0.616 0 50 FCAA COc1nc2c(cc1CNC(=O)[C@H](N)[C@H](C)O)C(=O)N(C1CCCC1)C2 71551682 BYBILGFXDBXXMK-ZUZCIYMTSA-N 362.430 0.313 0 50 FCAA O=C(NCc1nncn1CCc1ccccc1)[C@H]1NCCc2[nH]cnc21 72468641 CIUXZWPAAVNZEP-KRWDZBQOSA-N 351.414 0.747 0 50 FCAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Cc1c[nH]c(=O)n(C)c1=O 72474993 UEARTZVLRGTCLH-MRXNPFEDSA-N 356.426 0.131 0 50 FCAA Cc1nc2c(c(N[C@@H]3CCOC3)n1)CCN(C(=O)Cn1cncn1)CC2 72476989 ABYXYCYVZZBIMP-CYBMUJFWSA-N 357.418 0.205 0 50 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Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)n1 426580662 FWBXXOIGOKCWCV-UHFFFAOYSA-N 367.475 0.558 0 50 FCAA CN(CCCCN1CCOCC1)S(=O)(=O)c1cccc2nn(C)nc12 670442007 HOBZIPRCDGBDJS-UHFFFAOYSA-N 367.475 0.701 0 50 FCAA COCCN1C[C@@H](C(=O)Nc2cc(OC)cc(-n3cnnn3)c2)CCC1=O 952966587 ICTCWKKZOPKVRK-LBPRGKRZSA-N 374.401 0.494 0 50 FCAA Cc1cc2[nH]c(CN3C[C@@H]4CC[C@H]3CN(S(C)(=O)=O)C4)cc(=O)n2n1 1073314359 WBCCMNLFMJSYNO-JSGCOSHPSA-N 365.459 0.187 0 50 FCAA COCCN1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O 1506418135 PMEOCLHKBGJHMK-GFCCVEGCSA-N 351.369 0.578 0 50 FCAA Cc1cc(C(=O)N2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)nc(N)n1 1529159606 VUQLUOYDRPXKTR-CYBMUJFWSA-N 357.418 0.499 0 50 FCAA Cc1cc(=O)n(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)nc1C 1565512034 YLKCATHAPRPSHN-GJZGRUSLSA-N 358.398 0.608 0 50 FCAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)n(C)n1 1565529953 HAQJZLBJZRAGGM-LSZYVWPRSA-N 372.473 0.885 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C1Cc2ccccc2C1 1704337012 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GWFPBJWUKSDMIP-HNNXBMFYSA-N 359.426 0.734 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2 91712987 ZREZJYVLXJHGKP-LSDHHAIUSA-N 361.446 0.270 0 50 FCAA COc1cc(N2CCC3(CC2)[C@@H](OCCN(C)C)C[C@H]3O)nc(N)n1 91873295 XZYOZEUYHFSUMK-OLZOCXBDSA-N 351.451 0.365 0 50 FCAA CS[C@H](C)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 92066716 RIGXSUYVAYDVSE-LLVKDONJSA-N 372.516 0.797 0 50 FCAA CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C)C(N)=O 95382681 NALWXZFVDVPNPA-RBOXIYTFSA-N 373.457 0.774 0 50 FCAA CC(=O)N1CCC[C@@H](C(=O)N2CCN(CC(=O)Nc3cccnc3)CC2)C1 95389150 RAVJABZORSCMBT-MRXNPFEDSA-N 373.457 0.423 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cnccn2)CN1Cc1c[nH]cn1 96133132 VSPFVPSTMCCLNM-BBRMVZONSA-N 371.445 0.441 0 50 FCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccc(-n3cnnc3)n2)on1 97117173 IDZUTAYJUFIUOS-DOMZBBRYSA-N 354.370 0.946 0 50 FCAA C[C@H]1CN2CCC[C@@H]2CN1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 113270450 QGJGZEUKGGOWHR-DZGCQCFKSA-N 366.487 0.119 0 50 FCAA O[C@@H](c1nc2ccccc2[nH]1)[C@H](O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 169363720 UGRBLAMMQLLLQF-FPCVCCKLSA-N 354.366 0.928 0 50 FCAA COc1ccccc1C(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1O 215360812 LWFMLNYYMKLCNM-CJNGLKHVSA-N 372.425 0.682 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(-n2cccn2)c1 218823892 VVIUKYGMTNFNAM-IAGOWNOFSA-N 372.425 0.864 0 50 FCAA COc1cccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)c1 218937395 JCOCIDRHMDLHAS-CVEARBPZSA-N 350.415 0.616 0 50 FCAA CCCc1nnsc1C(=O)N1CCn2nc([C@H](O)CN(C)C)cc2C1 219778977 OTYBTGSLCDDTPC-CQSZACIVSA-N 364.475 0.938 0 50 FCAA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)C2=NNC(=O)CC2)C3)cc1 244874849 XIGJFPCNJPPDST-UHFFFAOYSA-N 366.381 0.326 0 50 FCAA CN(C)C(=O)NCC(=O)N[C@H]1C[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 253534893 RGBZVINUVSQNJW-TXEJJXNPSA-N 362.434 0.416 0 50 FCAA CC[C@H](O)CN1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 269282300 RGOSPTKBOSAVHT-HNAYVOBHSA-N 374.441 0.270 0 50 FCAA Cc1nnnn1-c1ccc(NC(=O)NCCN2CCCC[C@@H]2CO)cc1 299755436 CWUCSZOHGDAERR-MRXNPFEDSA-N 359.434 0.939 0 50 FCAA O=C1CC[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)[C@@H]([C@@H]2CCCO2)N1 366558886 MEQCPSFOQOTERA-ZVZYQTTQSA-N 374.441 0.474 0 50 FCAA NC(=O)C1(N2CCCCC2)CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426382925 OGYPXLKMWISBDO-AWEZNQCLSA-N 374.489 0.873 0 50 FCAA CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(-n2cccc2)ccn1 497050540 YINQPUHEPGOHOQ-HNNXBMFYSA-N 355.398 0.339 0 50 FCAA COc1ccc(F)cc1C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886096625 HERMLKARKKLHGF-KRWDZBQOSA-N 352.362 0.836 0 50 FCAA Cn1nc2c(c1S(=O)(=O)N[C@H]1CCC(=O)NC13CCC3)CCCC2 888097428 IZDRUFDNVRFELY-ZDUSSCGKSA-N 352.460 0.779 0 50 FCAA O=C(Nc1ccc2c(c1)B(O)OCC2)c1cccn1CCN1CCOCC1 913356243 LTMMMDGOJCYNCR-UHFFFAOYSA-N 369.230 0.333 0 50 FCAA CC(C)c1noc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)n1 1073388092 DQLVXFZPWYXJLY-NEPJUHHUSA-N 371.463 0.158 0 50 FCAA CCn1ccnc1CN1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1565506708 CCESZDDWMUQALJ-KGLIPLIRSA-N 352.460 0.123 0 50 FCAA CC(=O)N[C@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1c1ccc(C)o1 1565527953 OHQAQTALIUNNRW-GJZGRUSLSA-N 368.455 0.843 0 50 FCAA COc1ccc(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)c(F)c1 1775959799 YPIVJPWJVMQYNO-KRWDZBQOSA-N 352.362 0.836 0 50 FCAA Cc1cc(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc(S(N)(=O)=O)c1C 1857725001 INQWPIXMBSCDHM-VHDGCEQUSA-N 368.455 0.563 0 50 FCAA CC(=O)N1CC[C@@H](NC(=O)c2ncnc(O)c2Br)[C@H](C)C1 1875280422 HWKYVAIEDKCTKZ-VXNVDRBHSA-N 357.208 0.931 0 50 FCAA CNC(=O)c1cc(=NC(=O)c2ccc(OCC(F)(F)F)nc2)[nH]n1C 1875296860 RTZHBZLSLMSQGA-UHFFFAOYSA-N 357.292 0.790 0 50 FCAA CC(C)(C)[C@@H](CNC(=O)c1cnn2ncccc12)NC(=O)c1cnn[nH]1 1875339153 BHHQLLLLRJNFST-CYBMUJFWSA-N 356.390 0.422 0 50 FCAA O=C1COc2ccc(S(=O)(=O)N3CCC[C@]34CCCNC4=O)cc2N1 2356142296 MQTIGLGKPZELIT-INIZCTEOSA-N 365.411 0.451 0 50 FCAA O=S(=O)(N1CCOCC1)N1CCc2nc(-c3ccccc3)nn2CC1 2356153746 SUTLGBQKMYOFGT-UHFFFAOYSA-N 363.443 0.380 0 50 FCAA Cc1cccc(Cn2c(NCCCO)nc3c2c(=O)n(C)c(=O)n3C)c1 1823150 RBVSFVMDNWITBY-UHFFFAOYSA-N 357.414 0.585 0 50 FCAA biogenic Cn1ccnc1-c1ccccc1C(=O)N1CCN(CCOCCO)CC1 20136455 AXQSUAISVLWLDJ-UHFFFAOYSA-N 358.442 0.854 0 50 FCAA OCCc1cn(C2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1 20999358 ZBGJODNITFBXEB-UHFFFAOYSA-N 359.434 0.281 0 50 FCAA Cc1ccc(S(=O)(=O)CCNC(=O)c2cc3n(n2)CCCNC3)cc1 65433293 LJTKGGGMCONTDG-UHFFFAOYSA-N 362.455 0.889 0 50 FCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCn1cncn1)CO2 71730310 RMZLGHDXYUQMFO-CQSZACIVSA-N 372.429 0.384 0 50 FCAA NC(=O)NCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 72146419 CYWAJFFXVUUGPN-CQSZACIVSA-N 363.437 0.607 0 50 FCAA CNc1cc(C)nc(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)n1 91664183 FERICDDOPKQNHS-UHFFFAOYSA-N 368.449 0.979 0 50 FCAA Cc1cc(OC[C@H](O)CNC(=O)CN2C(=O)CNC2=O)ccc1Cl 91746649 WPWNPWPZRJTDBT-SNVBAGLBSA-N 355.778 0.056 0 50 FCAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C3)cc1 96148517 UVCZMCOQPQTMGT-HNNXBMFYSA-N 355.398 0.994 0 50 FCAA Cc1cc2nc(C(=O)N3CCc4c([nH]n(CCO)c4=O)C3)cc(C)n2n1 215160966 AKPRDMZBKQHMEZ-UHFFFAOYSA-N 356.386 0.027 0 50 FCAA Cc1nc([C@H]2CCCN2C(=O)CN2CCN(c3ncccn3)CC2)n[nH]1 221305654 NKOFRSANOJCRRX-CQSZACIVSA-N 356.434 0.389 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 221356564 UVMMZCHFCMYTSM-KGLIPLIRSA-N 363.345 0.028 0 50 FCAA Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2COCC[C@@H]2OCCO)cc1 223451207 BTXVWASBTWQHSQ-CVEARBPZSA-N 371.455 0.441 0 50 FCAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nc2ccccn2c1=O 238033064 LPHKJRUKACAQMO-CQSZACIVSA-N 352.350 0.534 0 50 FCAA COc1cccc([C@H](NC(=O)C(=O)N2CCC[C@@H](O)C2)c2nccn2C)c1 239667433 BPZHTKYFNQLUOG-ZBFHGGJFSA-N 372.425 0.618 0 50 FCAA COCc1nc2n(n1)C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)CC2 268187460 HCQTUYPIYDMHDE-VIFPVBQESA-N 358.324 0.771 0 50 FCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)C1=O 275313429 ODTTVSCMKYOVIU-CHWSQXEVSA-N 356.448 0.354 0 50 FCAA CC(=O)N1CCN(C(=O)CCCc2nc(-c3ccncc3)no2)C[C@@H](O)C1 299785855 KTVQJOAYODQXPR-HNNXBMFYSA-N 373.413 0.506 0 50 FCAA CN(C)C(=O)c1cccnc1N1C[C@@H](c2cn(C)nn2)[C@@H](CC(=O)O)C1 299793690 IFSWJNJSPXMSHC-WCQYABFASA-N 358.402 0.607 0 50 FCAA O=C(Cn1ccc(C(F)(F)F)n1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 332847681 SSGZKIMHWFEXJX-AMIZOPFISA-N 359.308 0.396 0 50 FCAA O=C(C1CCCC1)N1CC(S(=O)(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)C1 333109546 RUSAYZQKNMHVJV-GASCZTMLSA-N 371.503 0.170 0 50 FCAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cc(O)nc(N)n2)CC1 426428919 RXAGKXOESUZXSU-OAHLLOKOSA-N 368.441 0.470 0 50 FCAA Cn1cccc(C(=O)N2CCCN(C(=O)CCc3cn[nH]c3)CC2)c1=O 1529144196 RWADUHLUXNAXNT-UHFFFAOYSA-N 357.414 0.416 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(CCOc2ccc(Cl)cc2)C[C@@H]1O 1616078049 JJFJCOXJJGUJHQ-DOMZBBRYSA-N 362.879 0.903 0 50 FCAA O=C(c1nc(=O)c2ccccc2[nH]1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704298347 JIWAECRUPADSBC-MLGOLLRUSA-N 350.378 0.994 0 50 FCAA COc1cccc(OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704306014 ZEZOGPGHWHNXRY-WFASDCNBSA-N 372.443 0.097 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc2ccccc2n1C 1704340278 YKSFTPZNIMGMRV-UONOGXRCSA-N 365.455 0.815 0 50 FCAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2CC1 1857707799 KUGBXYJZUILWOI-LLVKDONJSA-N 352.460 0.832 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H](Nc3ccccn3)C2)C1 1875271087 OGVXVIFXLAYYLK-ZIAGYGMSSA-N 367.475 0.701 0 50 FCAA CNc1ncnc2c1cnn2C[C@@H](O)CCS(=O)(=O)NC(C)(C)C 1875353447 SVOGLCQNOLCNTK-JTQLQIEISA-N 356.452 0.337 0 50 FCAA COCC(=O)NCCC(=O)N[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@@H]1C 2325793405 SPSNIDRYPIXUBD-CHWSQXEVSA-N 367.490 0.927 0 50 FCAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NCc1cc(=O)c(O)cn1C 2325852272 YFIWUMSMSLBMHV-ZDUSSCGKSA-N 357.366 0.842 0 50 FCAA NCCCCCOc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325899130 PXEPCTCOCSYETH-AWEZNQCLSA-N 359.382 0.596 0 50 FCAA C[C@H](C(=O)NCCN=c1nc[nH]n1C)N1C(=O)c2cccc3cccc1c23 2356155445 HHTOVVYKNAGFEU-GFCCVEGCSA-N 364.409 0.967 0 50 FCAA Cc1ccc(CN2CCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]3C2)s1 14753020 WMTIYSNKFTZUQM-LSDHHAIUSA-N 350.488 0.697 0 50 FCAA COc1ccccc1-n1nnc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 16606911 YCXQXMUSLTUEMJ-LBPRGKRZSA-N 364.427 0.843 0 50 FCAA Cc1ccc(F)c(NC(=O)CCC(=O)NCCN(C)S(C)(=O)=O)c1 55307399 IYWLXLGCGFBDTI-UHFFFAOYSA-N 359.423 0.860 0 50 FCAA Cc1nc(CNC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n[nH]1 67758604 BWRASSBKUKPOAL-CYBMUJFWSA-N 372.429 0.719 0 50 FCAA Cc1ccn2c(C(=O)N3CCNC[C@H]3C(=O)N3CCCC3)c(C)nc2c1 72123938 KRWXVCHGCSUCLS-HNNXBMFYSA-N 355.442 0.988 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 72168831 YHWQQVXEPXVNLL-GFCCVEGCSA-N 360.370 0.370 0 50 FCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccnc1)CCN2Cc1ccccn1 72476835 RIYSQBIUNSNNID-ZWKOTPCHSA-N 358.467 0.960 0 50 FCAA CN(Cc1cccc(-n2cccn2)c1)C(=O)Cc1c[nH]c(=O)n(C)c1=O 77387899 BRENZFWENWHYLX-UHFFFAOYSA-N 353.382 0.460 0 50 FCAA Cc1[nH]nc(O)c1CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77426784 JGRMHRAAFGYAGG-UHFFFAOYSA-N 360.418 0.093 0 50 FCAA NCCn1cc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)nn1 77470623 MIRUPWOSRMLZCL-ZDUSSCGKSA-N 368.401 0.702 0 50 FCAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)C2)c1 77504277 YCEZLQYGORKXRA-CYBMUJFWSA-N 373.409 0.878 0 50 FCAA COCCN1C[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CCC1=O 82120909 XZCFBSAOIGKKSP-SFHVURJKSA-N 363.462 0.736 0 50 FCAA Cc1nc(CN2CCN(C(=O)C3CCN(CC(N)=O)CC3)CC2)cs1 91656345 ROZGEIGZZDSSRS-UHFFFAOYSA-N 365.503 0.293 0 50 FCAA O=C(c1cccc(S(=O)(=O)N[C@@H]2CCCNC2)c1)N1CCSCC1 95391656 KCUZCCJTMPGZCR-CQSZACIVSA-N 369.512 0.906 0 50 FCAA CC(C)(C)n1ncc2c(=O)n(Cc3nnnn3CC(F)(F)F)cnc21 192137480 YWSSBKKUCRXHHA-UHFFFAOYSA-N 356.312 0.945 0 50 FCAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)N3CCOCC3)C2=O)cc1 206239378 JXLMWWCPPVYLIV-OAHLLOKOSA-N 361.398 0.755 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 215925220 YUCZMBVVZJFGFD-CYBMUJFWSA-N 374.484 0.214 0 50 FCAA NCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CC[C@@H]21 216810137 MDFJTGFJQYFMPO-CABCVRRESA-N 359.426 0.870 0 50 FCAA O=C([C@H]1C[C@@H](O)CN1)N1CCN(CCOc2ccc(Cl)cc2)CC1 238006678 RFLNIKCORUQHHQ-GDBMZVCRSA-N 353.850 0.586 0 50 FCAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1cc(=O)nc2sccn12 252535812 GXWIRCWQKQYNSP-HUBLWGQQSA-N 362.455 0.625 0 50 FCAA COc1ccccc1N1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 268441347 KKNMFDPIFWJXAO-WOSRLPQWSA-N 362.430 0.606 0 50 FCAA O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299789486 VSKHWUOHQGDUEL-HOTGVXAUSA-N 351.370 0.845 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2nnc(C)s2)o1 299794343 JTINZKQGYAXPTN-CYBMUJFWSA-N 363.443 0.755 0 50 FCAA COCC(=O)N1CCCN(C(=O)c2ccc(-c3cc(N)ncn3)cc2)CC1 426490696 XTZPUEXDIVXMOD-UHFFFAOYSA-N 369.425 1.047 0 50 FCAA COCCN1CCC[C@H](CNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 670437460 SRVANANNNUXWTF-OAHLLOKOSA-N 354.495 0.855 0 50 FCAA COCCN1CC[C@@H](CNC(=O)C2CCN(C3CCOCC3)CC2)C1 670468166 RMJZXONEAYLLPL-INIZCTEOSA-N 353.507 0.962 0 50 FCAA Cc1noc([C@@H]2CC(=O)N(C3CN(Cc4ccnc(N(C)C)n4)C3)C2)n1 864310180 FSJSPKDWTGPSIK-GFCCVEGCSA-N 357.418 0.434 0 50 FCAA NC(=O)[C@@]1(N2CCN(C(=O)c3cccc(F)c3Cl)CC2)CCOC1 886096316 AORYTLGPHRFCDC-MRXNPFEDSA-N 355.797 0.881 0 50 FCAA CN1CC(=O)N2C[C@@H](NC(=O)/C=C/c3nc4ccccc4s3)C[C@H]2C1=O 952990182 WIEGYEVFENLATA-XTYWZOAOSA-N 370.434 0.867 0 50 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CNC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1nc(C(C)(C)C)cs1 244574866 CSOHZZXXOWBXOI-JTQLQIEISA-N 367.475 0.316 0 50 FCAA CN(CC(=O)N1CCOCC1)C(=O)C1CCN(C(=O)c2ccccc2)CC1 266032812 MXMYKUJSCXCZRZ-UHFFFAOYSA-N 373.453 0.856 0 50 FCAA CCn1ncnc1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 499652682 IOMQVRVUEMENCW-DYVFJYSZSA-N 357.414 0.730 0 50 FCAA Cc1cccnc1N1CCN(C(=O)NCCN2CCC(CO)CC2)CC1 534588835 CWCRGHJWDYPULK-UHFFFAOYSA-N 361.490 0.926 0 50 FCAA O=C1CC[C@H](C(=O)N2CCC(CNC(=O)c3cncc(Cl)c3)CC2)N1 828256489 KTHYUYARMYEPLJ-CQSZACIVSA-N 364.833 0.982 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800414148 LKTWDUXXRUHIKJ-MANSERQUSA-N 371.481 0.915 0 50 FCAA COc1ccc(-c2ccc(O)nn2)cc1S(=O)(=O)N1CCOCC1 1848442293 CCTWUJOBPPRRLN-UHFFFAOYSA-N 351.384 0.879 0 50 FCAA CNC(=O)C[C@@H]1CN(C(=O)c2cccn3c(CC(C)C)nnc23)C[C@H]1O 1875404023 QOLBYPCIEXSHBG-TZMCWYRMSA-N 359.430 0.497 0 50 FCAA CN1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)c3cnccn3)C2(C)C)C1=O 1875406503 FZXCHFVFBHQLAH-TZMCWYRMSA-N 359.430 0.454 0 50 FCAA Cc1c[nH]nc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc3n(n2)CCOC3)C1 2325824357 ZPDOUSLGJGHCNS-CHWSQXEVSA-N 372.429 0.916 0 50 FCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cnc(N(C)C)nc2C)CC[C@H]1O 2356142997 PZSIPRLMVJZIQP-CXAGYDPISA-N 350.419 0.929 0 50 FCAA CCOc1ccc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1 10111575 KTHWWRJNEKSDDB-CYBMUJFWSA-N 357.476 0.918 0 50 FCAA CCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1OC 16652601 GFMTUKBNRLPCJY-UHFFFAOYSA-N 369.443 0.331 0 50 FCAA CC[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 23114622 XNDDWBUUYPDBSR-CYBMUJFWSA-N 355.398 0.701 0 50 FCAA CC[C@]1(C2CCN(C(=O)Cc3c(C)nc(N)nc3C)CC2)NC(=O)NC1=O 67742792 NBDNEVMBWBJEEI-GOSISDBHSA-N 374.445 0.445 0 50 FCAA NC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72144344 OZPNIZLJCPEYDA-CYBMUJFWSA-N 370.812 0.161 0 50 FCAA N#Cc1cccc(N2CCCn3nc(CCC(=O)NCCO)cc3C2)n1 82156134 UVRCEFAXHHFZJR-UHFFFAOYSA-N 354.414 0.601 0 50 FCAA CC(C)c1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)nc2ncnn12 91645423 YQEHDUXFJLQFGJ-OAHLLOKOSA-N 372.429 0.711 0 50 FCAA CC(=O)N1CC[C@]2(O)CCN(Cc3cccc(OCC(N)=O)c3)C[C@@H]2C1 95361909 SZDNRWUGGKPLIG-VQIMIIECSA-N 361.442 0.356 0 50 FCAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)CC1 97553177 OOOZOSMCFCRGBD-CYBMUJFWSA-N 360.414 0.722 0 50 FCAA Cc1cc(C)n2c(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)nnc2n1 215205587 NFACVFHGKDUWPY-UHFFFAOYSA-N 372.429 0.452 0 50 FCAA O=C(C1CCCC1)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 219281250 XSJCMIXXONSQCT-KGLIPLIRSA-N 350.444 0.481 0 50 FCAA Nc1nc(N2CCN(C(=O)c3cc(-c4ccsc4)n[nH]3)CC2)cc(=O)[nH]1 219876059 RMOZOGGMJMZRNH-UHFFFAOYSA-N 371.426 0.766 0 50 FCAA Cc1cc(O)n2nc(CC(=O)NCc3nnc4n3CCCCC4)nc2n1 220109074 CGRUKGNMMGEBJQ-UHFFFAOYSA-N 356.390 0.315 0 50 FCAA NS(=O)(=O)c1cccc(NC(=O)CN2CCS[C@@H]3COCC[C@H]32)c1 230127312 KVTXQFZDZQUJJV-ZIAGYGMSSA-N 371.484 0.479 0 50 FCAA CN1CCN(C)[C@H](CC(=O)NCCNC(=O)c2ccccc2Cl)C1 244678530 IFHTXDBIKMGLGW-CYBMUJFWSA-N 352.866 0.822 0 50 FCAA CCc1nn(C)cc1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281170651 LDXVLUAGIBBYPI-MRXNPFEDSA-N 363.418 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0.411 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)c3cnc(C)[nH]c3=O)cc2C1=O 71760438 CEEJRUPYYBLIFU-UHFFFAOYSA-N 357.370 0.388 0 50 FCAA CN(Cc1cnc(N)nc1)C(=O)C[C@@H]1COCCN1C(=O)N1CCCC1 72410010 LIOOVNZOUBBGBL-CQSZACIVSA-N 362.434 0.324 0 50 FCAA Cc1cc(NC[C@H]2CN(S(C)(=O)=O)CCO2)n2nc(C)c(C)c2n1 72431735 LAGCNBPIEWAGRW-ZDUSSCGKSA-N 353.448 0.727 0 50 FCAA Cc1cccc(=O)n1CCC(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77554641 AYOHHINJXKVCLI-IBGZPJMESA-N 363.458 0.233 0 50 FCAA CCn1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)cn1 82099278 GKPPIJALVOJHEH-UHFFFAOYSA-N 366.447 0.195 0 50 FCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 91451933 RGTGUTPFVGKMSK-DOTOQJQBSA-N 369.425 0.977 0 50 FCAA O=C(c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1)N1CCCNCC1 92045514 SDEKOHNUIAMTLX-CQSZACIVSA-N 353.444 0.189 0 50 FCAA Cc1ccccc1CNC(=O)CN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)O 92066790 JENYWVITRLFZOZ-OAHLLOKOSA-N 359.426 0.667 0 50 FCAA Cc1n[nH]c(SCCNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)n1 95383319 AFZUFWSCFKHESW-CYBMUJFWSA-N 360.443 0.765 0 50 FCAA COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCN(c3ccccn3)C1)CC2 151571171 QGAQZGKBXRQSGC-KGLIPLIRSA-N 371.445 0.712 0 50 FCAA COC(=O)C1=CN(CC(=O)Nc2ccccc2F)S(=O)(=O)N=C1C 169771858 GPJHDDYVZJZKRU-UHFFFAOYSA-N 355.347 0.842 0 50 FCAA O=C(CCC1CCCC1)NCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 186614216 FUDCEDVBAVXDNO-INIZCTEOSA-N 364.490 0.496 0 50 FCAA CC[C@H](C)[C@@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 230214025 CFNFWDYLZBUKAS-GXTWGEPZSA-N 357.414 0.958 0 50 FCAA CS(=O)(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 247079223 LIAJZIWUKPLJHB-GHMZBOCLSA-N 357.398 0.411 0 50 FCAA C[C@H]1CN(C(=O)c2cccnc2N2CCOCC2)CCN1S(C)(=O)=O 271896757 VCTAQRWORHHTBP-ZDUSSCGKSA-N 368.459 0.024 0 50 FCAA CCCNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CNCC[C@H]2O)cc1 299760373 JMSLGCAWNIBLRY-ZIAGYGMSSA-N 356.448 0.219 0 50 FCAA Cn1ccnc1N1CCC(NS(=O)(=O)c2cnc3n2CCC3)CC1 328729625 FNXFWVBYWJXKOD-UHFFFAOYSA-N 350.448 0.510 0 50 FCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCCCCO2)[C@H](C)O)cc1 329945634 XJRBPTZJAHRYQN-DZGCQCFKSA-N 356.444 0.967 0 50 FCAA O=C(NC[C@@H]1CCCS1(=O)=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 332970479 MHDJXZMXRQVCMU-XQQFMLRXSA-N 364.489 0.315 0 50 FCAA CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)O1 408107331 WRRCVPIRSFXPDN-WDEREUQCSA-N 367.368 0.721 0 50 FCAA CC(C)[C@H](C(=O)N(C)C1CCN(S(C)(=O)=O)CC1)N1CCCC1=O 408274222 XAEALJWINPSLPP-OAHLLOKOSA-N 359.492 0.516 0 50 FCAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCS(=O)(=O)CC1 426689818 DSJPPJGDJSAWHI-UHFFFAOYSA-N 350.400 0.711 0 50 FCAA Cn1ccnc1CN1CCN(C(=O)Cc2cccc(OCCN)c2)CC1 426705636 HOCMSAKHMQQHNB-UHFFFAOYSA-N 357.458 0.645 0 50 FCAA O=C(NCc1csc(-c2ncccn2)n1)N1CCN2C(=O)OC[C@@H]2C1 584885568 WGTYIAORRLXRCP-NSHDSACASA-N 360.399 0.946 0 50 FCAA CN1CCCN(CC(=O)N2CCCO[C@H](CN3CCCCC3)C2)CC1 823778384 SCLQNQXRBPMFOA-GOSISDBHSA-N 352.523 0.727 0 50 FCAA Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2c1OCCO2 888076787 DOKJEMMEWGKING-IUODEOHRSA-N 356.382 0.941 0 50 FCAA Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(C(=O)c2cncc(=O)[nH]2)C1 952983165 ZZQHWYMPSLNWHA-LBPRGKRZSA-N 359.386 0.657 0 50 FCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCc2nncn2C)OCC(=O)N1C 1529199172 XPHMCCLZDLWYOB-SJORKVTESA-N 357.414 0.381 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3CC[C@]4(CNC(=O)CO4)C3)CC2)c1 1772813776 SSMGLNRQDGIRSR-FQEVSTJZSA-N 372.469 0.235 0 50 FCAA CN1C[C@@H](NC(=O)c2nc(Cl)n(C)n2)c2sccc2S1(=O)=O 1857679298 SLNCXGGLFNMLRQ-ZCFIWIBFSA-N 361.836 0.635 0 50 FCAA CC(C)[C@H](C(=O)N1CC[C@@](O)(C(N)=O)C1)n1cnc2cc(F)c(F)cc21 1875255824 BZUUCBVUGDMJRL-PBHICJAKSA-N 366.368 0.960 0 50 FCAA N[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)Cc2ccccc21 1875290999 LBXXJARBNXEATO-OWCLPIDISA-N 356.426 0.298 0 50 FCAA O=C(Cn1ccc2cc(F)ccc21)N1CCN2CCS(=O)(=O)C[C@H]2C1 1875294040 LKRLDXNUOBIKQO-OAHLLOKOSA-N 365.430 0.722 0 50 FCAA CC(=O)NCC12CC(C(=O)NCCN(C)C3CC3)(C1)C1(CCNCC1)O2 1875393608 QGGPCIBIELIJQN-UHFFFAOYSA-N 364.490 0.004 0 50 FCAA Cn1c(N2CC[C@H](Nc3cnc4c(n3)CCCC4)C2)cc(=O)n(C)c1=O 1875398678 BDXPLMXFGWKFCZ-LBPRGKRZSA-N 356.430 0.444 0 50 FCAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O)C1Cc2ccccc2C1 1940193728 SOFIHOLJJNOOKG-QXAKKESOSA-N 372.465 0.906 0 50 FCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(-c3ccncc3)no1)C2 2100537978 ZWDFOSHUFBSLPP-KGLIPLIRSA-N 371.397 0.380 0 50 FCAA CCN1CCC[C@H](N2CC(NC(=O)COc3ccc(CO)cc3)C2)C1=O 2325757443 VATWLROCMZBVCV-KRWDZBQOSA-N 361.442 0.369 0 50 FCAA O=C(c1c[nH]c(=Nc2cnn(Cc3ccccc3)c2)cn1)N1CCNCC1 2325793508 XMNYFCXHLXGVLZ-UHFFFAOYSA-N 363.425 0.932 0 50 FCAA CC(=O)N[C@]12CCOC[C@@H]1CN(C(=O)c1ccccc1-n1ccnn1)C2 2325849529 SGAASKPGOJFNIT-KSSFIOAISA-N 355.398 0.635 0 50 FCAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 789075 MFRICXFGCPEGAU-UHFFFAOYSA-N 353.444 0.754 0 50 FCAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 11592639 BOEGTKLJZSQCCD-ZIBATOQPSA-N 363.395 0.151 0 50 FCAA biogenic,world CN1CCN2C[C@@H](NC(=O)CCc3nc4ccccc4[nH]c3=O)C[C@H]2C1 67946782 NSMORAAWNYQFMJ-KBPBESRZSA-N 355.442 0.360 0 50 FCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(Cn2ccc3ccccc32)[nH]n1 67967848 QWMYMXUQMGPVPV-GDBMZVCRSA-N 374.422 0.300 0 50 FCAA N[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)C(=O)O 71756257 BAQMYDQNMFBZNA-NMKXLXIOSA-N 372.491 0.411 0 50 FCAA biogenic CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 72133302 VBABNFCDSQKAGK-AWEZNQCLSA-N 367.409 0.595 0 50 FCAA Cc1nc(C2CCN(C(=O)CCC(N)=O)CC2)cc(N2CCOCC2)n1 72456563 FQUPQYJROFZLJK-UHFFFAOYSA-N 361.446 0.593 0 50 FCAA Cc1cc(C)n(CCNC(=O)Cn2nc(C)c3ccccc3c2=O)c(=O)n1 91656333 ZYNRGUCQGIDUDE-UHFFFAOYSA-N 367.409 0.695 0 50 FCAA CCCS(=O)(=O)N[C@H]1CN(c2ncccc2C(N)=O)C[C@@H]1C(C)C 91680737 KBHJKLOPLOAZLM-KGLIPLIRSA-N 354.476 0.971 0 50 FCAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)n1 92037591 ZQMRNUQCDPQHMZ-JTQLQIEISA-N 359.352 0.617 0 50 FCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cccc(OCCO)c1)CC2 95388913 SNMAOORRIHBPDT-MRXNPFEDSA-N 362.426 0.955 0 50 FCAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1[C@H](Cc1ccccc1)C(=O)O 170624280 AQOLYXORUGZMCQ-GFCCVEGCSA-N 367.365 0.853 0 50 FCAA O=C(CN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1)NC1CCCCC1 219290718 FBDNUBLGGKEBLG-RDJZCZTQSA-N 360.458 0.696 0 50 FCAA Cc1cn(CC(=O)N2CCN(C3Cc4ccccc4C3)CC2)c(=O)[nH]c1=O 223021215 HNHCRQBPPMUSCD-UHFFFAOYSA-N 368.437 0.157 0 50 FCAA O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244734705 NKJOWTVRRJOHIL-WRSAYESZSA-N 371.393 0.169 0 50 FCAA CN(Cc1n[nH]c2c1CCC2)C(=O)COc1cccc(-n2cnnn2)c1 244899924 ZTCDTGYCYNKQMU-UHFFFAOYSA-N 353.386 0.912 0 50 FCAA C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 270207383 NLQOWXBHRMXBHJ-MRVPVSSYSA-N 364.420 0.422 0 50 FCAA CN(CC(=O)O)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 328605093 MHXWZJQNFBDRRJ-ZFWWWQNUSA-N 367.446 0.021 0 50 FCAA O=C(Cc1nc2ncccn2n1)N[C@H]1CCN(c2ccccc2F)C1=O 363066806 UVVDYHKRCFMTQI-LBPRGKRZSA-N 354.345 0.728 0 50 FCAA O=C(NCc1csc(-c2ncccn2)n1)N1CCN2C(=O)OC[C@H]2C1 584885565 WGTYIAORRLXRCP-LLVKDONJSA-N 360.399 0.946 0 50 FCAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)CN3CCCCCC3=O)CC2)O1 952889225 ZPRJOAYXRQXKRA-LSDHHAIUSA-N 351.447 0.661 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cn1ccc2ccccc21 1704340302 ZKDOINGDDFVJFZ-GJZGRUSLSA-N 365.455 0.664 0 50 FCAA CCC[C@@]1(CO)CN(C(=O)c2nn(C)c(=O)c3ccccc23)CC[C@@H]1O 1857720186 IJOJLWRPLGXARG-KXBFYZLASA-N 359.426 0.919 0 50 FCAA O=C(c1cn2c(n1)CCNCC2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1857722850 QBINNRURTQQVPK-UONOGXRCSA-N 353.426 0.450 0 50 FCAA C=CC(=O)NCC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 2325888964 AXHNVEFUBFRLRE-CQSZACIVSA-N 366.215 0.751 0 50 FCAA O=C1COC2(CCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)CC2)CN1 2356139484 YOVZPRVVFXPYDL-UHFFFAOYSA-N 356.382 0.287 0 50 FCAA O=C1Nc2ccc(S(=O)(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)c3cccc1c23 2356144787 MAMCBELHZAGCMK-JOYOIKCWSA-N 357.391 0.772 0 50 FCAA CC1=CS(=O)(=O)C[C@@H]1SC(=S)N(C)[C@H]1CCS(=O)(=O)C1 4304865 PYWIWUYRHGVGRB-UWVGGRQHSA-N 355.528 0.824 0 50 FCAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 12437297 JNDOIVKCAMWRMW-BSXFFOKHSA-N 366.366 0.787 0 50 FCAA O=C(c1ccc(N2CC[C@@H](CO)C2)nc1)N1CCC(N2CCOCC2)CC1 67833881 GZIJNBWVJKVIRN-MRXNPFEDSA-N 374.485 0.837 0 50 FCAA NC(=O)CCN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71721574 AAKCGXJNSBFIDR-KRWDZBQOSA-N 373.501 0.750 0 50 FCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 72158067 VCIQOWIYVALINR-ZDUSSCGKSA-N 366.425 0.625 0 50 FCAA COc1cc2c(cc1CNC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C)OCCO2 91690762 XKKGJKJJHZIXDC-LLVKDONJSA-N 363.370 0.365 0 50 FCAA Cc1nccn1CCC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 92098020 LZKWYWJGOYWGHS-IAGOWNOFSA-N 350.463 0.371 0 50 FCAA NC(=O)Cn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 95524408 SCKWTTLXXAHPBI-ZDUSSCGKSA-N 359.430 0.085 0 50 FCAA CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cnc3ccccc3c2)n1 170617498 UXKXWPBHAPVMEM-UHFFFAOYSA-N 360.399 0.715 0 50 FCAA COc1cccc([C@H]2CN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]2C(=O)O)c1OC 213104429 VXDLDIUMXKRNGA-OLZOCXBDSA-N 374.397 1.000 0 50 FCAA C[C@H](CC(=O)N1CCN(c2ccc3nccn3n2)CC1)N1CCOCC1 220183978 AQJBVNCBRSQQIY-OAHLLOKOSA-N 358.446 0.489 0 50 FCAA COc1ccc(-n2cc([C@@H](C)NC(=O)CN3C(=O)CNC3=O)cn2)cc1 221435118 PKTRZOMCDNBWQF-LLVKDONJSA-N 357.370 0.610 0 50 FCAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)CN(C)Cc3cccnc3)C2)n1C 252551056 TWKGFWLFINZXKU-WKILWMFISA-N 371.489 0.766 0 50 FCAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 264248539 ZVXSITNYHRBUID-ZIAGYGMSSA-N 363.414 0.638 0 50 FCAA COCC(=O)NCc1cc2n(n1)CCN(Cc1[nH]nc(C)c1Cl)C2 299771225 XAGAQVZSGGBHNG-UHFFFAOYSA-N 352.826 0.846 0 50 FCAA CSc1ncc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)n1 299790254 BNUSHVDIISYSBI-LLVKDONJSA-N 366.443 0.615 0 50 FCAA CC(C)CS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 330578365 RVYZEQYXTFVIER-UHFFFAOYSA-N 369.443 0.142 0 50 FCAA CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 333577580 NIXPPJYGLHPHJT-UONOGXRCSA-N 355.464 0.646 0 50 FCAA O=C1CN(C(=O)N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCCN1 584896906 XGSBEXSTXLBQSJ-GFCCVEGCSA-N 350.806 0.977 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 952986587 IHPVSUKKPDUOAV-OAHLLOKOSA-N 373.519 0.924 0 50 FCAA Nc1nnn(CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 1353403929 VBHJFGMJNRGFPE-UHFFFAOYSA-N 369.351 0.619 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C(C)(C)c1ccccc1 1704298019 BRACKXBMGVSWTM-ZFWWWQNUSA-N 354.472 0.987 0 50 FCAA Cn1ccn2ncc(C(=O)N3CCC4(CC3)NCC(C)(C)CNC4=O)c12 1772814176 MUZOCNWAGOXOGB-UHFFFAOYSA-N 358.446 0.393 0 50 FCAA CN1CCCC[C@@H](C(=O)N2CCC(n3[nH]c(C4CC4)nc3=O)CC2)C1=O 1875308669 QXCOFNLHFAEBAW-CQSZACIVSA-N 361.446 0.871 0 50 FCAA Cc1n[nH]c(=NC[C@]2(CNC(=O)CO[C@@H]3CCOC3)CC23CCC3)o1 1875408188 QCQLGNPOHGSQNW-CXAGYDPISA-N 350.419 0.694 0 50 FCAA O=C(c1cccc(-n2cccn2)c1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356160180 HDZVUNSBFFEKBM-IRXDYDNUSA-N 357.410 0.989 0 50 FCAA CNC(=O)Cc1nc([C@H]2CC[C@@H](N)CC2)n(-c2ccc3nnc(C)n3n2)n1 2356165303 BRAWAUMLYIKZGB-TXEJJXNPSA-N 369.433 0.287 0 50 FCAA CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 4976630 DFNQDLXRICZEMZ-OEMOTLHWSA-N 352.318 0.737 0 50 FCAA O=C1CCCCN1c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 19821104 PHMGPQRSBPLYPZ-UHFFFAOYSA-N 367.471 0.814 0 50 FCAA NCc1cn(C[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)nn1 23505331 NSIJYFQIQRWHHA-AWEZNQCLSA-N 358.450 0.280 0 50 FCAA CS(=O)(=O)NCCNC(=O)NC1CCN(CCc2ccccc2)CC1 31149992 OIVXWAVJRFSHFW-UHFFFAOYSA-N 368.503 0.542 0 50 FCAA CN1CCN(CC2(CNc3nccc(N4CCC[C@H](O)C4)n3)CC2)CC1 65528778 WGNIDNJJIFLUDB-INIZCTEOSA-N 360.506 0.877 0 50 FCAA Cc1cc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)[nH]n1 67714248 VJIBKAJYIFTFSM-SFHVURJKSA-N 368.397 0.700 0 50 FCAA CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)nn2)CN1 67856191 LKAGLHHVKVLCPQ-BBWFWOEESA-N 370.457 0.161 0 50 FCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCn1cnnc1)CO2 71756958 YGYBNPSIFKKFRC-AWEZNQCLSA-N 372.429 0.384 0 50 FCAA Cc1cccnc1CCN[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1O 72137364 PFCFYGHLEHDDSO-QZTJIDSGSA-N 361.467 0.956 0 50 FCAA CC(C)=CCN1CCN(C(=O)c2ccc(N)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72429812 OJKLGTPEIAKUAT-CABCVRRESA-N 364.471 0.553 0 50 FCAA Cc1nc[nH]c1C(=O)N1CCc2ncnc(N3CCC[C@@H](O)C3)c2CC1 72434422 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COc1cccc(N2CCN(C(=O)C[C@H]3CN(C)CCN3C)CC2=O)c1 107291730 YUCLDWAVAIVLNP-INIZCTEOSA-N 360.458 0.506 0 50 FCAA COCC(=O)NC1CN(S(=O)(=O)c2sccc2Br)C1 187715014 YANAFHPWYJGPIZ-UHFFFAOYSA-N 369.262 0.646 0 50 FCAA O=C(NCc1nnnn1-c1ccccc1)[C@@H](c1ccccc1)n1cnnn1 220167971 JEFVEWRUQJSAFN-MRXNPFEDSA-N 361.369 0.555 0 50 FCAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2 222994136 WARUDAQWQJWACR-INIZCTEOSA-N 359.430 0.072 0 50 FCAA O=C(CCn1c(=O)[nH]c2ccccc21)NCC1CCS(=O)(=O)CC1 243893365 AQKRUZFLNKLIGM-UHFFFAOYSA-N 351.428 0.661 0 50 FCAA COc1cncc([C@H](NC(=O)CN2CCCN(C)CC2)[C@H]2C[C@@H](O)C2)c1 244796045 RRWREWRLUMXHGM-SIXWZSSISA-N 362.474 0.656 0 50 FCAA Cc1nnnn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252536568 IWKOCRPHGVMNSB-RVKKMQEKSA-N 357.414 0.935 0 50 FCAA CC1(C)C(=O)Nc2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)ccc21 294446022 YAZKHOLZXGWXBW-SFHVURJKSA-N 356.382 0.731 0 50 FCAA COc1ccc(NC(=O)N[C@H](C)Cn2cncn2)cc1NS(C)(=O)=O 299645729 OJHVMIGOTAMXOH-SNVBAGLBSA-N 368.419 0.868 0 50 FCAA O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299794261 JORRIJOMPDARMW-WMZOPIPTSA-N 365.393 0.965 0 50 FCAA Cc1cc(N2CCC[C@@H](NC(=O)c3cnc(N(C)C)cn3)C2=O)n(C)n1 332363928 DDGSMCAQDHQFKH-GFCCVEGCSA-N 357.418 0.510 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1CCCN2c3ccccc3C[C@H]2C1 368194025 HBGMVYHFVOAGIJ-AWEZNQCLSA-N 352.460 0.382 0 50 FCAA CCn1c(=O)n(CC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2ccccc21 375411543 QRIRAHOBJHBARY-CZUORRHYSA-N 356.426 0.902 0 50 FCAA CCc1c(C)nn(CCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1C 426490406 WROJSZZKSNRVCB-AWEZNQCLSA-N 356.492 0.297 0 50 FCAA C[C@H](NC(=O)N1CCC(N2CCN(CCO)CC2)CC1)c1cnn(C)c1 426492799 LXCJSQRBLFHPRX-HNNXBMFYSA-N 364.494 0.265 0 50 FCAA COCCN1CC[C@@H](CNS(=O)(=O)c2cccc3nn(C)nc23)C1 670458279 RJKUVLSQESUUQT-LBPRGKRZSA-N 353.448 0.215 0 50 FCAA NC(=O)[C@]1(N2CCN(C(=O)Cc3ccccc3Cl)CC2)CCOC1 886077693 ORSLVLAHRLYXKI-KRWDZBQOSA-N 351.834 0.671 0 50 FCAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCN(C)C(=O)C2)[C@H]1c1ccccc1 1529172349 KPPXHXWTAAMYQA-MSOLQXFVSA-N 359.426 0.664 0 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369.429 0.642 0 50 FCAA COCCN1CCC[C@@]2(CCCN2C(=O)CCn2nnnc2C)C1=O 2356164274 MQSBDGBCGWTBIN-MRXNPFEDSA-N 350.423 0.002 0 50 FCAA CN1CCN(C(=O)Cn2nnnc2CN2CCCC2)C[C@H]1c1ccccc1 11843784 GJIKAPLRNHYGHA-KRWDZBQOSA-N 369.473 0.784 0 50 FCAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C[C@@H](O)CO)CC1=O 14536669 CECGUOYCEMQTEG-IAGOWNOFSA-N 368.449 0.864 0 50 FCAA CN1C(C(=O)N2CCCC2)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O 15673554 JIEYXJQBZYBIET-UHFFFAOYSA-N 363.395 0.901 0 50 FCAA COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1 36289478 VGUDKOUNGKYIKS-UHFFFAOYSA-N 356.448 0.058 0 50 FCAA CCn1c(CC2CCN(S(=O)(=O)N3CCCCC3)CC2)nn(C)c1=O 65435987 DWNIUDOCXQHCPT-UHFFFAOYSA-N 371.507 0.587 0 50 FCAA COC(=O)c1cc2n(n1)CCN(C(=O)Cc1nc(-c3ccncc3)n[nH]1)C2 67673032 FFMDLLADGSOPCE-UHFFFAOYSA-N 367.369 0.435 0 50 FCAA CNC(=O)[C@@H]1CCN(C(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)C1 67675152 BEIBYPHDAMPCQD-LLVKDONJSA-N 372.381 0.926 0 50 FCAA O=C(NCCc1c[nH]c(=O)[nH]c1=O)c1cc(COc2ccccc2)[nH]n1 67714208 HZMUGRVGXYQVQV-UHFFFAOYSA-N 355.354 0.338 0 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364.446 0.672 0 50 FCAA CCCN1C(=O)N[C@@H](CC(=O)NCc2csc(-c3cnccn3)n2)C1=O 223441301 JDFQLIPOVLSVHQ-NSHDSACASA-N 374.426 0.937 0 50 FCAA CC1(C)CN(C(=O)[C@@H](N)CCS(C)(=O)=O)CCN1Cc1ccccc1 236911459 ZFYNETWHPQCJAZ-INIZCTEOSA-N 367.515 0.871 0 50 FCAA COCc1nc([C@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)n[nH]1 329545740 GVTTUXZXVVXACW-LLVKDONJSA-N 357.436 0.040 0 50 FCAA Cc1cccc2nc(CCC(=O)N3CCN4C(=O)N(C)C(=O)[C@H]4C3)[nH]c12 371171753 XUBXYWNDTKINQF-CYBMUJFWSA-N 355.398 0.909 0 50 FCAA O=C(NCCc1nc2ccccc2o1)c1cn(CCN2CCNCC2)nn1 426383114 JKUZYGYNBMFLBJ-UHFFFAOYSA-N 369.429 0.297 0 50 FCAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1nc3ncccc3[nH]1)C2 426503469 VCJQBSHAADLCHV-UHFFFAOYSA-N 353.386 0.837 0 50 FCAA Cn1nc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)ccc1=O 429331407 FGDZPODJTPEFJU-UHFFFAOYSA-N 355.803 0.767 0 50 FCAA Cc1cc(C)nc(N[C@H]2CCCCN(Cc3nn(C)c(=O)n3C)C2=O)n1 952851139 VGQLDMYBFKIARR-ZDUSSCGKSA-N 359.434 0.519 0 50 FCAA Cc1nnnn1CCC(=O)N1CCCN(C(=O)CCCc2cn[nH]c2)CC1 1529159658 XBPGBDQMDCBXRX-UHFFFAOYSA-N 374.449 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371.441 0.301 0 50 FCAA CSCCc1nc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n(CC(=O)O)n1 97743259 QKERRGWKCYOVFA-UHFFFAOYSA-N 361.383 0.465 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H](Cn1ccnc1)c1ccccc1 215390874 WBIBNJGKRXAFOT-HNNXBMFYSA-N 353.382 0.681 0 50 FCAA C=CCN1C[C@]2(C(=O)O)CN(C(=O)NCCc3ccccc3)C[C@@H]2C1=O 216897227 HXLUDFMDTADOJX-BEFAXECRSA-N 357.410 0.970 0 50 FCAA O=C(CN1CC[C@H](c2ccccc2)C1)N1CCN(CCn2cncn2)CC1 218840258 CFQFVBDINACHPC-IBGZPJMESA-N 368.485 0.912 0 50 FCAA Cc1ccnn1CC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 219728745 QUFJDPXEZVLIJY-UHFFFAOYSA-N 369.491 0.457 0 50 FCAA Cn1cc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)c(=O)[nH]c1=O 222996299 ABXHTTYROHTKBK-CQSZACIVSA-N 354.370 0.227 0 50 FCAA Cc1ccnn1CC(=O)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 244774124 POILHUKHJCJPFQ-RBSFLKMASA-N 356.430 0.615 0 50 FCAA CCN1C(=O)N(CC)[C@@H]2O[C@@H]([C@@H]3O[C@H]4[C@@H](O3)N(CC)C(=O)N4CC)O[C@@H]21 245326076 IXHKDTATVZWBHC-LRRLDJKKSA-N 370.406 0.591 0 50 FCAA CCn1ccc(C(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)n1 252527611 CZOHQTZPACATDU-HZSPNIEDSA-N 356.430 0.940 0 50 FCAA C[C@H]1CN(C(=O)[C@H]2CC(=O)C[C@H]2C(=O)N2C[C@H](C)O[C@H](C)C2)C[C@H](C)O1 252675485 UDVAUNWCGZOSKK-PQTQVYOHSA-N 366.458 0.853 0 50 FCAA O=C1CC[C@@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 285771716 NFKCZZIWUFASBA-GFCCVEGCSA-N 372.830 0.815 0 50 FCAA Cc1ccc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1F 299770970 STESKQXEPCZHTA-ZIAGYGMSSA-N 359.423 0.106 0 50 FCAA CCN1C[C@H](NC(=O)c2cccc(-c3[nH]c(=N)[nH]c4ncnc3-4)c2)CC1=O 426403796 UQRLARZQCFGTOA-GFCCVEGCSA-N 365.397 0.735 0 50 FCAA CCNC(=O)[C@H]1CC[C@@](C)(c2nc(CC(N)=O)nn2CCO)C1(C)C 828778346 JHQSZSQCRUDLIQ-DIFFPNOSSA-N 351.451 0.128 0 50 FCAA C[C@@H](NC(=O)CN1CCOc2ccccc2C1)c1n[nH]c(CC(=O)O)n1 952967121 JLKRTNBHVITMOU-LLVKDONJSA-N 359.386 0.504 0 50 FCAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 1506401964 PAOZYYFRHHEPPX-CQSZACIVSA-N 373.475 0.362 0 50 FCAA Cc1nccn1CC(=O)N1CCCN(C(=O)CCCc2cn[nH]c2)CC1 1529171869 ABGGQZLBGRSNQX-UHFFFAOYSA-N 358.446 0.998 0 50 FCAA O=C(CN1CCOCC1)N[C@H]1COCC[C@@H]1Oc1ccc(C(=O)O)cc1 1565514379 OSFFANYKFLJKTG-HOTGVXAUSA-N 364.398 0.370 0 50 FCAA O=C(O)[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H]1c1ccc(F)cc1 1616103364 JULKMEOHTSWCPJ-KGLIPLIRSA-N 358.391 0.503 0 50 FCAA COCCCN1CC2(CCN(C[C@@H]3CCC(=O)O3)CC2)OCCC1=O 1857721706 BUPXLZLUBVWOKI-HNNXBMFYSA-N 354.447 0.812 0 50 FCAA Cc1ncc(C(=O)N2CC[C@H](NC(=O)Cc3cn(C)nn3)[C@@H](F)C2)o1 1875359296 ACYMYGDPPVNPMD-RYUDHWBXSA-N 350.354 0.023 0 50 FCAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)c1cc[nH]n1)C2 1875395856 NRBJHNUVOUWACZ-CQSZACIVSA-N 367.457 0.971 0 50 FCAA CCn1ncc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n1 1875397030 INNPTZFBLQNGRA-CQSZACIVSA-N 372.477 0.775 0 50 FCAA CCC(=O)Nc1nc(C)c(S(=O)(=O)N2[C@H]3CC[C@H]2C(=O)NC3)s1 2325818868 ATQONNNAIACIBH-IUCAKERBSA-N 358.445 0.452 0 50 FCAA NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 2356402 RVBJDWSRCULGKD-UHFFFAOYSA-N 369.410 0.884 0 50 FCAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1=O 12002714 LCSVXZDJTDCIFC-FZMZJTMJSA-N 352.412 0.908 0 50 FCAA Cn1nc(C(=O)N2CCC(C(=O)O)CC2)c2c1CCN(C(=O)C1CC1)C2 34927233 JQDQADZRDNSNDI-UHFFFAOYSA-N 360.414 0.652 0 50 FCAA Cc1nc(CCN)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 39420743 BCYHCHSFWBSYRU-UHFFFAOYSA-N 361.471 0.797 0 50 FCAA Cc1ccccc1[C@H]1[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)C[C@@](C)(C(=O)O)N1C 67562183 ABLUIPMCHWDQPS-YEWDVWPNSA-N 373.413 0.559 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)Nc3ccccc3)nn2)CN1 67724486 JICREQXXOHZWEY-CABCVRRESA-N 357.418 0.591 0 50 FCAA CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2-n2cnnn2)CCCN1CC1CC1 71755459 ZOGDPAMVOMYDAL-HNNXBMFYSA-N 358.450 0.968 0 50 FCAA CO[C@@H]1c2ccccc2C2(CCN(C(=O)CNS(C)(=O)=O)CC2)[C@H]1O 72146108 DVRMMJKZSKKARW-CVEARBPZSA-N 368.455 0.158 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 77406605 OGEOIDZBNXQCSE-GFCCVEGCSA-N 355.398 0.896 0 50 FCAA Cn1c(C(N)=O)cc2c1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2 91625843 YPSUHYGRHAWQON-UHFFFAOYSA-N 372.425 0.748 0 50 FCAA CNC(=O)c1cc2c(s1)CCN(C(=O)CN1CCC(C(N)=O)CC1)C2 91988039 TZVORQYDBVPOCU-UHFFFAOYSA-N 364.471 0.190 0 50 FCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 95370635 MFUIRZBCIMNJIW-CYBMUJFWSA-N 374.393 0.996 0 50 FCAA O=C(c1nc[nH]n1)N1CCN(C(=O)[C@H]2CCCN(C3CCCC3)C2)CC1 95386506 WOTASNFDUAOBOO-AWEZNQCLSA-N 360.462 0.744 0 50 FCAA Cc1nc2cc(CNC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc2n1C 95498700 WHQQESDCXDPEIM-HNNXBMFYSA-N 357.458 0.908 0 50 FCAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](N2CCNCC2=O)C1 186697248 GGWVWULICMIJSF-GOSISDBHSA-N 367.453 0.968 0 50 FCAA CC(C)(C)n1cc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)nn1 191239910 JABOPGSPIOIQCL-UHFFFAOYSA-N 364.475 0.935 0 50 FCAA CN(C)CCCNC(=O)C[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O 252549240 QXVXLULFRWXVLI-CQSZACIVSA-N 350.394 0.909 0 50 FCAA Cn1ccnc(NC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)c1=O 328655577 YMKXGQJUTDXESH-LLVKDONJSA-N 351.794 0.715 0 50 FCAA COC[C@H]1CCCN1S(=O)(=O)NC1CCN(C(=O)CC(C)C)CC1 824371065 QXSQPGSPUKNEHC-OAHLLOKOSA-N 361.508 0.969 0 50 FCAA CC1=C(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)[C@@H](C)n2nnnc2N1C 847428821 BUCXSEPGVBEXSZ-SECBINFHSA-N 368.357 0.940 0 50 FCAA Cc1cnccc1N1CCCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 952985480 DUOBZFSRVWCPFS-CQSZACIVSA-N 373.500 0.419 0 50 FCAA Cn1ccnc1SCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529155603 VUAVDOSFGGXDHJ-CABCVRRESA-N 360.439 0.885 0 50 FCAA O=C(NCC(=O)N1CCCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529186872 LROSIUHAFGDJQG-MSOLQXFVSA-N 372.425 0.251 0 50 FCAA Cc1[nH]nc(O)c1CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565531432 PYSUWWYJAJZIHT-HOTGVXAUSA-N 361.398 0.811 0 50 FCAA Cc1cnc(C(=O)N2C[C@@H]3CN(CCc4nccn4C)C[C@]3(CO)C2)cn1 1772700827 FENCSTRWGXLQBI-HNAYVOBHSA-N 370.457 0.128 0 50 FCAA CN(C)c1nccnc1N1CCCN(C(=O)CCc2ccnn2C)CC1 1772804504 QBISMZJWZWLTSP-UHFFFAOYSA-N 357.462 0.948 0 50 FCAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(C4CCOCC4)CC(=O)N23)cc1 1857694192 DMCLFJVTJDPWTR-SZVBFZGTSA-N 373.453 0.933 0 50 FCAA Cc1ccsc1C(=O)NC[C@H]1[C@H]2CN(C(CO)CO)C[C@]23CC[C@H]1O3 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Cc1ccc2[nH]c(=O)cc(C(=O)N3CCNC[C@H]3C(=O)N3CCCC3)c2c1 72158279 FZOOUDIDENTHPZ-KRWDZBQOSA-N 368.437 0.873 0 50 FCAA CC(C)CN1C[C@H](C(=O)NCc2cc(N3CCOCC3)ncn2)CC1=O 72427210 LEJRHPKMFIEEAY-CQSZACIVSA-N 361.446 0.434 0 50 FCAA O=C(Cn1cncn1)N1CCc2ncnc(NC[C@@H]3CCCO3)c2CC1 72463448 XREHYJHIUZUCPY-ZDUSSCGKSA-N 357.418 0.286 0 50 FCAA Cc1cc(N2CCN(c3cc(=O)[nH]c(N)n3)CC2)n2nc(C)c(C)c2n1 72478116 DDVYEAGZNDZMTG-UHFFFAOYSA-N 354.418 0.647 0 50 FCAA CN(C)CCn1ccnc1C1CCN(S(=O)(=O)N2CCCC2)CC1 91547355 JPQAXPFNYFTPGG-UHFFFAOYSA-N 355.508 0.965 0 50 FCAA Cc1nnnn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 92098943 XZXCICZIRVXSDY-GOEBONIOSA-N 369.429 0.530 0 50 FCAA CN(C)CCCn1ccnc1C1CCN(C(=O)C[C@H]2COCCN2)CC1 95385492 SAENHHDFVIINOG-KRWDZBQOSA-N 363.506 0.919 0 50 FCAA O=C1NC(=O)[C@@H](CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)N1 95390177 YYKFSPWKUZCLNC-GFCCVEGCSA-N 360.418 0.309 0 50 FCAA NC(=O)[C@H]1CCCN(CCNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)C1 97307109 OCURSMMZTHYQHM-NSHDSACASA-N 360.389 0.594 0 50 FCAA Cc1nnc(SCCCNC(=O)c2cc(=O)n(C)c(=O)n2C)s1 97696198 KSMCFOULESAZNA-UHFFFAOYSA-N 355.445 0.156 0 50 FCAA CN1CCN(S(=O)(=O)c2ccc(F)cc2F)C[C@@]12CCNC(=O)CC2 107406870 DDLYUHMXSOZBIH-MRXNPFEDSA-N 373.425 0.940 0 50 FCAA CC[C@H](C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1)n1cccn1 219382388 KSBGNTUZDNCMDL-CQSZACIVSA-N 354.418 0.929 0 50 FCAA CNC(=O)c1noc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)n1 299790229 BBVKCGAPGHCBSY-LBPRGKRZSA-N 363.418 0.617 0 50 FCAA CCN1CCC[C@H](CN2CCn3nc(CNS(C)(=O)=O)cc3C2)C1 299793096 IZFRWKSAMVPPSW-AWEZNQCLSA-N 355.508 0.480 0 50 FCAA O=C1[C@@H](Cc2cn(CCO)nn2)N=C(O)N1C[C@H]1CCc2ccccc2C1 328611417 LLNNKDQPSDXNQK-SUMWQHHRSA-N 369.425 0.743 0 50 FCAA CS(=O)(=O)C1CN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)C1 333562474 WQUIMWBEENWWAJ-LBPRGKRZSA-N 356.469 0.998 0 50 FCAA Cc1cc2cc(C(=O)N[C@@H]3CCN(CC(=O)N(C)C)C[C@H]3O)ccc2o1 426485488 DJADDJTXKWHZIE-HZPDHXFCSA-N 359.426 0.994 0 50 FCAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)n1 426489612 JUBVYRJVIBUGFG-HNNXBMFYSA-N 364.446 0.786 0 50 FCAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCc2nc3ccc(F)cc3[nH]2)[nH]1 426574848 HSQURBCKHGCPNL-NSHDSACASA-N 372.404 0.856 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(C)(C(=O)N(C)C)CC2)C1 1506399877 RGFOVNBEPUVQHC-CQSZACIVSA-N 361.508 0.780 0 50 FCAA CCCN(CCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 1529190649 KQIBVWVNCFGAGP-SJORKVTESA-N 366.414 0.491 0 50 FCAA CCN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565509228 LMVHDXVJQQWCLR-YPMHNXCESA-N 358.489 0.762 0 50 FCAA Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O 1565525596 PLSUYBHMDRZQCM-GJZGRUSLSA-N 361.423 0.682 0 50 FCAA Cc1nc(C)c(C(=O)N2C[C@@H]3CN(S(=O)(=O)C(C)C)C[C@]3(CO)C2)o1 1772808845 CMSDXKZVMGDTEJ-CJNGLKHVSA-N 371.459 0.396 0 50 FCAA O=C(NC[C@H]1CCCCN1C(=O)c1cncc(O)c1)c1ccc(O)nn1 1875331705 VEUYKMDURJXCPI-GFCCVEGCSA-N 357.370 0.708 0 50 FCAA CCN1CCN(CC)CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 2325764889 HUPXWASSSFYZIE-UHFFFAOYSA-N 374.485 0.898 0 50 FCAA CCS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCCOCC2)C1 2325807405 YEHJNVCKYKRMQH-CHWSQXEVSA-N 354.494 0.289 0 50 FCAA CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1 900083 QDKMYVPPMXRVPD-UHFFFAOYSA-N 356.444 0.958 0 50 FCAA Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(N2CCOCC2)n1 65509215 JHWYEUDWKZGUIK-UHFFFAOYSA-N 364.431 0.155 0 50 FCAA O=C(c1ccc(N[C@@H]2CCNC2)nc1)N1CCC(N2CCOCC2)CC1 67847019 DOPKQNUKEBNGQZ-MRXNPFEDSA-N 359.474 0.792 0 50 FCAA Cc1nnnn1CCCn1nc([C@@H]2CCCNC2)n(-c2ccccc2)c1=O 67867176 MWRJCFLQUNSCDN-OAHLLOKOSA-N 368.445 0.886 0 50 FCAA COc1nc2c(cc1CNC(=O)[C@@H](C)O)C(=O)N(CCc1ccccn1)C2 71499158 RBSAPEUEUVEARS-GFCCVEGCSA-N 370.409 0.681 0 50 FCAA CCOCc1nc2c(c(NC[C@H]3CCS(=O)(=O)C3)n1)CCNCC2 72410236 MHLAYANOTUZSEA-GFCCVEGCSA-N 354.476 0.548 0 50 FCAA CC[C@@]1(O)CCN(C(=O)CN2CCN(c3cccc(C)c3)CC2)C[C@H]1O 72463718 JMAXFVDZZXYFHL-UYAOXDASSA-N 361.486 0.851 0 50 FCAA Cc1nn(CC(=O)NCCCc2nnc(N)s2)c(=O)n1-c1ccccc1 77287687 HWCHSHYSRXNKKZ-UHFFFAOYSA-N 373.442 0.525 0 50 FCAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CCC(N)=O)CC1 82096432 QEMOTDSNQDMVLV-UHFFFAOYSA-N 362.478 0.865 0 50 FCAA CCN1CC2(CCC1=O)CCN(C(=O)CN1CC[C@@H](N(C)C)C1)CC2 91452700 UUYQBGHZSMRRKH-MRXNPFEDSA-N 350.507 0.873 0 50 FCAA Cc1cc(C)c(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c(=O)[nH]1 91770689 XCZYYTCQKDIFSM-UHFFFAOYSA-N 362.430 0.638 0 50 FCAA CC(C)c1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)[nH]n1 92021370 OUGXPBZUJSKVNI-HZPDHXFCSA-N 364.490 0.918 0 50 FCAA CNc1nc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cs1 95367492 QJIBNINBDWDUGG-UHFFFAOYSA-N 351.476 0.955 0 50 FCAA Cc1ccc2cccc(OCCNC(=O)c3cc(=O)n(C)c(=O)n3C)c2n1 95517474 RMRPCHZGHHFGKJ-UHFFFAOYSA-N 368.393 0.749 0 50 FCAA CCS(=O)(=O)N1C[C@@H]2CN(CCCn3ccnc3C)C[C@]2(C(=O)O)C1 97346896 OEQYJFHMDBYJIC-HOCLYGCPSA-N 370.475 0.250 0 50 FCAA OCCn1nccc1C1CCN(C[C@@H](O)COC2CCOCC2)CC1 127469951 OSLSIXGUIGOJFR-MRXNPFEDSA-N 353.463 0.611 0 50 FCAA O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cn1 172323857 IFXRPJOCMAZDIE-CYBMUJFWSA-N 352.822 0.398 0 50 FCAA CNCCN1C(=O)CC[C@@H]2CN(c3cc(OC(C)C)nc(N)n3)CC[C@@H]21 212954878 JSPPLQFWVYOVOF-KGLIPLIRSA-N 362.478 0.883 0 50 FCAA C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1CC(=O)N[C@H]1CCCCNC1=O 247929853 QFLOXNBPDFKYCC-SNPRPXQTSA-N 358.442 0.639 0 50 FCAA COc1ccccc1N1C[C@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O 269022389 IUVXUHSHHROUJQ-CHWSQXEVSA-N 362.382 0.750 0 50 FCAA CN1C[C@@]2(CCCN(C(=O)NCCSc3nncn3C)CC2)OC1=O 426422061 XCAIOJQJFHGLOJ-HNNXBMFYSA-N 368.463 0.924 0 50 FCAA Cc1nnc(CN(C)C(=O)c2ccc(-c3cc(NCCO)ncn3)cc2)o1 426658458 QFTUELLJQIASQQ-UHFFFAOYSA-N 368.397 1.511 0 50 FCAA O[C@@H]1CN(CCn2cncn2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 859390455 UOUHZSWSKRPUSO-QZTJIDSGSA-N 354.414 0.647 0 50 FCAA C/C(=C(/F)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)C1CC1 909144655 IDJNVKAKGAGEMH-BENRWUELSA-N 367.468 0.757 0 50 FCAA CNCC(=O)N1CCCc2ccc(NC(=O)C3(S(C)(=O)=O)CC3)cc21 952848173 CRZJQTMGRDTBNF-UHFFFAOYSA-N 365.455 0.701 0 50 FCAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(-n3cnnc3)nc1)C2 1073339501 RZKLFRYXXKCANO-HIFRSBDPSA-N 369.429 0.880 0 50 FCAA COc1c(F)cccc1C(=O)N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616125634 IZIMGYALXPZKCL-MFKMUULPSA-N 360.407 0.159 0 50 FCAA CS(=O)(=O)N(CC(=O)N1CCOC[C@H](C(=O)O)C1)c1cccc(F)c1 1775977600 JBHCZTRCRZBGSZ-LLVKDONJSA-N 374.390 0.151 0 50 FCAA CCOc1ncccc1C(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857710064 GGLCWBDGWXBCLP-MJBXVCDLSA-N 353.444 0.280 0 50 FCAA CCN1CCN(C(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)[C@H](C)C1=O 1875263498 YQZBLMWUKAARBP-GFCCVEGCSA-N 371.397 0.731 0 50 FCAA C[C@@]1(C(=O)NC[C@]2(C3CC3)CCN(c3cc(O)ncn3)C2)CNC(=O)C1 1875405640 KXIUAKWOOADZEY-ZWKOTPCHSA-N 359.430 0.431 0 50 FCAA CC(=O)N1C[C@H](C)c2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3C(=O)NC4)cc21 2325789122 RKWUPCWOICVSJJ-WBIUFABUSA-N 363.439 0.808 0 50 FCAA Cn1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2C(=O)NC2CCCC2)c1 2332238102 ZFKJCSPKKCYMNR-ZIAGYGMSSA-N 353.444 0.227 0 50 FCAA Cc1nc2nc(C)c(Nc3nccc(N4CCC[C@@H](O)C4)n3)c(=O)n2[nH]1 2356137553 PLWAYJNOTRVHRT-LLVKDONJSA-N 356.390 0.529 0 50 FCAA Nc1nc(Cn2nnc(-c3ccccc3Cl)n2)nc(N2CCOCC2)n1 1087900 XZZPCZFKLXRDEE-UHFFFAOYSA-N 373.808 0.646 0 50 FCAA COCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 12193701 RZWBXNMWDBUTAI-INIZCTEOSA-N 367.421 0.630 0 50 FCAA O=C(NCCN1CCOCC1)[C@H]1CNC[C@@H](COc2cccc(F)c2)C1 14534440 QPWKPRQNBLIBQU-JKSUJKDBSA-N 365.449 0.879 0 50 FCAA CC(C)(CNC(=O)CC[C@H]1NC(=O)NC1=O)N1CCc2ccccc2C1 29161420 KBWFGWAULNHNSL-OAHLLOKOSA-N 358.442 0.928 0 50 FCAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccc(OC)cc1 34065326 SUMPYDPSTNYANT-JKSUJKDBSA-N 374.441 0.649 0 50 FCAA CN(Cc1ccccc1)c1ncccc1CNC(=O)Cn1nnnc1N 67774198 PYMYTXKVKLVSKY-UHFFFAOYSA-N 352.402 0.603 0 50 FCAA COc1ccccc1S(=O)(=O)N1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72133318 AADCYMMGMHJIJE-ZBFHGGJFSA-N 354.428 0.913 0 50 FCAA CN(CC(C)(C)CO)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 72149130 FIQQUZGKIPZQNK-QGZVFWFLSA-N 361.486 0.897 0 50 FCAA CN1C[C@]2(CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)OC1=O 72153666 KNDSJVROAQUTHF-KRWDZBQOSA-N 358.354 0.410 0 50 FCAA O=S(=O)(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)N1CCOCC1 72157963 WZPVTBPYYBBGKM-KRWDZBQOSA-N 365.499 0.785 0 50 FCAA Cc1nonc1CC(=O)N1CC[C@@H](CNC(=O)C2CCCC2)[C@H](O)C1 72474632 INIJSHYFPWEPLM-DZGCQCFKSA-N 350.419 0.436 0 50 FCAA COC(=O)[C@H](C)N1CCCn2nc(CCC(=O)N3CCOCC3)cc2C1 82114737 MPYMUHFCHCUVPX-AWEZNQCLSA-N 364.446 0.442 0 50 FCAA Cn1cccc1C(=O)C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 91411323 VNJLGDWIZYNTFS-UONOGXRCSA-N 367.409 0.761 0 50 FCAA COc1ccc(CCN2C[C@@H](C(=O)N3CCNC(=O)CC3)CCC2=O)cc1 91713178 MDRZVFKQWOOZBM-INIZCTEOSA-N 373.453 0.825 0 50 FCAA CCCc1cc(C(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)[nH]n1 91817756 MWJGJNKARDROTP-UHFFFAOYSA-N 361.446 0.692 0 50 FCAA Cc1nnsc1C(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 91830805 VXQXTFCIHKVIEJ-ZMJPVWNMSA-N 354.476 0.636 0 50 FCAA O=C1NC(=O)[C@H](CCC(=O)N2CCN(c3ncnc4ccccc34)CC2)N1 92061784 ICIROZZYCNRXGC-AWEZNQCLSA-N 368.397 0.267 0 50 FCAA Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3[nH]cnc3C)C2)n1 95510296 ZRGOHGUPBFNNES-HIFRSBDPSA-N 373.461 0.647 0 50 FCAA COCCc1nc(Cn2cc(C)c(=O)[nH]c2=O)n(-c2ccc(OC)cc2)n1 96136139 PJCMOWMZDBPNGK-UHFFFAOYSA-N 371.397 0.672 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3c(=O)n(C)cnc3c2)CN1C 96136769 XONOGSAQQKVBDH-CJNGLKHVSA-N 371.441 0.261 0 50 FCAA Nc1cc(=O)[nH]c(CCNC(=O)Nc2ccccc2CN2CCOCC2)n1 96164853 FMVGXOJEXZJADE-UHFFFAOYSA-N 372.429 0.549 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)NCCC2=CSC3=NCCCN23)C1 102821946 AAGAILBSQBGHJD-LBPRGKRZSA-N 351.476 0.340 0 50 FCAA Cc1noc(C)c1S(=O)(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 107402382 JFEDBOVIOZLZHR-OAHLLOKOSA-N 356.448 0.266 0 50 FCAA N[C@H]1CCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)C1 152356993 GXZLWGDHNFAQTO-ZETCQYMHSA-N 366.212 0.409 0 50 FCAA CC(C)N(CCOCCNC(=O)c1cnsn1)C(=O)c1cnsn1 170607627 KRIYQTZRLLSNIG-UHFFFAOYSA-N 370.460 0.687 0 50 FCAA CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C(C)C)[C@@H](NC(C)=O)C2)c1 216418134 AHHJPLDHKFKQIW-CVEARBPZSA-N 367.471 0.827 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CC(C)(C)N1CCOCC1)C2 219697648 ZDALZWQGABLNGJ-GOSISDBHSA-N 365.522 0.795 0 50 FCAA CNc1ncccc1C(=O)N1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 219845740 GSFMMNIVYFDIJA-HNNXBMFYSA-N 372.429 0.488 0 50 FCAA Cc1ncn(CCNC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1C 299764350 UMTDTRHWDOPDSN-INIZCTEOSA-N 368.503 0.515 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)C(=O)N1 299766543 FLBSVRFZTITIFH-AWEZNQCLSA-N 369.425 0.270 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 299789235 UVRBPJOPURYUEM-SFHVURJKSA-N 374.445 0.204 0 50 FCAA N=C1NC(=O)C2(CCN(C(=O)NCc3ccc4nsnc4c3)CC2)N1 426369463 YPTKBDWLWTVJMT-UHFFFAOYSA-N 359.415 0.390 0 50 FCAA CNC(=O)c1noc(CNC(=O)N2CCN(Cc3ccccc3C)CC2)n1 584902368 MLOQIYZGOXJLFC-UHFFFAOYSA-N 372.429 0.765 0 50 FCAA O=C(N[C@H](CO)C(=O)OCc1cc(O)nc(C2CC2)n1)c1ccccc1 837457188 XFPREKWJNIGSGK-CQSZACIVSA-N 357.366 0.894 0 50 FCAA CN(C)[C@@H]1CN(Cc2cnnn2Cc2ccccc2)C[C@@H]1n1ccnn1 888094341 KYOQXWOPJQPEAD-MSOLQXFVSA-N 352.446 0.905 0 50 FCAA CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 888098178 AYABLGZBYMWMNE-ZIAGYGMSSA-N 357.476 0.753 0 50 FCAA CO[C@H]1CCN(Cc2cn(C)nc2C(=O)NCCn2ccccc2=O)C1 952887849 KNSRTLKOVDUICE-HNNXBMFYSA-N 359.430 0.233 0 50 FCAA CCn1ncc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1C 952985031 AISDDJWLCKQZJT-UHFFFAOYSA-N 370.475 0.471 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1O 1616070026 XABCAIXWJOXZJD-HIFRSBDPSA-N 354.472 0.675 0 50 FCAA COc1cccc2c1C1(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC1)OCC2 1704301053 HULUNAYIBMZUPF-ZDUSSCGKSA-N 373.409 0.684 0 50 FCAA COc1cccc(F)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704358617 PUZQWLKUWVHYJK-JQWIXIFHSA-N 360.407 0.471 0 50 FCAA CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)CCC3CCCC3)C[C@@]2(CO)C1 1772815236 MFRIIIDUXVEJSY-WBVHZDCISA-N 373.519 0.516 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1Cc2nnc(C)n2C1 1772817119 IGZHABKUVYTSQC-CYBMUJFWSA-N 354.418 0.562 0 50 FCAA COCc1nnc(N2C[C@@H](C(=O)N3CCC(COC)CC3)CC2=O)s1 1857669114 MQGWQJPLHSYGLW-LBPRGKRZSA-N 368.459 0.922 0 50 FCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCc2[nH]nc(-c3ccccc3)c2C1 1857679037 VMZWKVBRNUHANK-UHFFFAOYSA-N 361.369 0.974 0 50 FCAA COC(=O)CNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857720248 LAQLAJTVQFSGIY-LBPRGKRZSA-N 374.422 0.771 0 50 FCAA Cc1cc(C)cc(-n2nc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(=O)cc2C)c1 1857798128 QDJRQIMCKKFELZ-CQSZACIVSA-N 368.393 0.693 0 50 FCAA CN(Cc1ccccc1)S(=O)(=O)N1CCc2nc(C(N)=O)cn2CC1 1875249568 CDFJIBZKLABIRF-UHFFFAOYSA-N 363.443 0.217 0 50 FCAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)N1CCn2ncnc2C1 1875396185 YGGXJJGAAOOBBA-QANKJYHBSA-N 356.430 0.831 0 50 FCAA CN1CCN(C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)C[C@@H]1CO 2356138460 CBHDNJULWXUKOV-MRXNPFEDSA-N 371.437 0.713 0 50 FCAA CC(=O)OC[C@H]1O[C@H](F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4371220 JJXATNWYELAACC-HTOAHKCRSA-N 350.295 0.039 0 50 FCAA Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CO)C(=O)N2C1 14541368 RAVJTJUFOQRBMC-DRZSPHRISA-N 366.805 0.230 0 50 FCAA O=C(CCc1ccc(=O)[nH]n1)N1CCN(CCOc2ccccc2)CC1 20206462 UYGZZYQWNQMWJY-UHFFFAOYSA-N 356.426 0.926 0 50 FCAA NCCc1nc(N2CCC[C@H](C(=O)NCCCO)C2)c2ccccc2n1 65434833 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1529152824 YNHPCEQALMNZHC-MSOLQXFVSA-N 371.437 0.714 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc(OC(F)F)cc2)[C@@H](O)C1 1565508407 RZTXHMZALUAPEC-KBPBESRZSA-N 371.384 0.541 0 50 FCAA CCNC(=O)c1ccnc(N2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)c1 1565530838 MJABUVXBUFGSKF-OLZOCXBDSA-N 358.402 0.655 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc2nccnc12 1704337968 IPQWCIJTIHHFEO-SMDDNHRTSA-N 364.427 0.266 0 50 FCAA CCc1nc(O)ccc1C(=O)N[C@@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1O 1875244592 VKZWVQMXHUSAIJ-NILFDRSVSA-N 363.414 0.078 0 50 FCAA COCCn1nnc([C@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1 1875248583 YVCBQOHHDVECAN-CQSZACIVSA-N 371.401 0.943 0 50 FCAA Cc1c[nH]nc1C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1NC(=O)C[C@H]1C)C2 1875360962 OASAOVJZQXYZQY-IUODEOHRSA-N 373.457 0.697 0 50 FCAA CC(=O)N1CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1875398472 RJHZOFVTIHSERQ-MRXNPFEDSA-N 374.489 0.538 0 50 FCAA COc1cc(OC)cc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)c1 4873569 XSWLKQBNVRXWQC-OAHLLOKOSA-N 361.398 0.533 0 50 FCAA CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1 20512560 QZIIAUZKGDNUCC-UHFFFAOYSA-N 369.487 0.918 0 50 FCAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N[C@H]1CCS(=O)(=O)C1 40285923 QUYLZHFJUUIYSF-ZDUSSCGKSA-N 365.386 0.353 0 50 FCAA O=c1[nH]c2cc3c(cc2cc1CN1C[C@H](O)[C@@H](N2CCCC2)C1)OCO3 67846946 LFAQZXUWGWHERW-HOTGVXAUSA-N 357.410 0.898 0 50 FCAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](c1cccnc1)N1CCCC1)C2 72172379 RRPKBCJZHQQXQR-HNNXBMFYSA-N 354.414 0.469 0 50 FCAA CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72436088 DWOQEXFJEVHIHV-CVEARBPZSA-N 360.439 0.426 0 50 FCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)NC3CCCC3)cc2C1 82126318 JIJXNEHKCPNLSL-UHFFFAOYSA-N 355.464 0.790 0 50 FCAA Cc1nccn1CC(=O)N[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1C(C)C 91625408 HTKGJRLLVPJLGM-CABCVRRESA-N 356.492 0.309 0 50 FCAA COCCN1CCC[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1=O 92097514 ZFZZOOFAAFZOJC-KRWDZBQOSA-N 358.402 0.225 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95360541 VKZHOZJXOLQQEZ-CQSZACIVSA-N 359.430 0.941 0 50 FCAA Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H](N)[C@@H](C)O)CC2)CC1=O 95392092 WKBSOMWSGIDMPF-WBMJQRKESA-N 364.446 0.341 0 50 FCAA C[C@H]1C(=O)NCCN1Cc1cc(-c2ncccn2)ccc1OCC(=O)O 97694934 JZIJADOJKHTVCS-LBPRGKRZSA-N 356.382 0.927 0 50 FCAA COC(=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)C(C)C 170625442 FDNUBNNHZOXBCK-ZFWWWQNUSA-N 361.398 0.831 0 50 FCAA biogenic CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CNCCO1 187467020 GXXDOLGSBNYVBE-SMDDNHRTSA-N 362.348 0.892 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)OCCO2 220242617 AYISQZVLXNIQQO-CZUORRHYSA-N 364.398 0.450 0 50 FCAA CN(CC(=O)Nc1nnn[nH]1)Cc1cc2c(cc1OC(F)F)OCO2 225521232 BZDNROATQDRITL-UHFFFAOYSA-N 356.289 0.600 0 50 FCAA Cn1ccnc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccc(F)cc3)C2)c1=O 275584121 PEUWIGUEKIHOLM-LSDHHAIUSA-N 359.405 0.704 0 50 FCAA CNC(=O)c1ccc([C@H]2CCCCN2CCCNS(C)(=O)=O)n1C 328653565 WXXXBTYHIXXATG-CQSZACIVSA-N 356.492 0.851 0 50 FCAA Cc1ccc(C(=O)NCCNC(=O)N2CCC(N3CCNC3=O)CC2)cc1 363521592 BSVNERUDNZBEHG-UHFFFAOYSA-N 373.457 0.924 0 50 FCAA NS(=O)(=O)c1cccnc1NC[C@@]1(N2CCOCC2)CCSC1 364887363 HNYNYFKVBZNFPV-AWEZNQCLSA-N 358.489 0.349 0 50 FCAA CN1CCN([C@H]2CN(C(=O)NCc3nc4ccccc4n3C)C[C@@H]2O)CC1 426374292 OQNSHRNAAYFOKP-IRXDYDNUSA-N 372.473 0.075 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)NC[C@@H]1CCCN(C(=O)C3CC3)C1)C2 426529201 DLWJXHFGFOMRID-ZDUSSCGKSA-N 373.457 0.763 0 50 FCAA Cc1cc2nc(CNC(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)[nH]c2cc1C 426690288 LNSIKEQKLGHPGK-IRXDYDNUSA-N 373.457 0.767 0 50 FCAA Cc1cccnc1CN1CCN(C(=O)NCCc2noc(CO)n2)CC1 584893619 VTMFTURIBVZGCA-UHFFFAOYSA-N 360.418 0.335 0 50 FCAA CN(CC(=O)O)C[C@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 780123461 BSGCQRFOLWDJNX-KRWDZBQOSA-N 362.426 0.798 0 50 FCAA Cn1nc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)ccc1=O 828150587 ZSSLQSIPKRFVRI-UHFFFAOYSA-N 372.381 0.270 0 50 FCAA CCn1cc(Br)cc1C(=O)N[C@@H]1CNC[C@@H]1n1ccnn1 886078380 XKWOHXBBSBSXJC-PWSUYJOCSA-N 353.224 0.805 0 50 FCAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)C2 888094535 AINBLMWWRPUYNZ-QQTQMKHKSA-N 359.470 0.924 0 50 FCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3cc(C(F)(F)F)nn3C)C2)C1 888099412 YIEUCNFZTXRHKQ-SECBINFHSA-N 359.352 0.218 0 50 FCAA CCS(=O)(=O)N1CCN(C(=O)[C@H](c2cccnc2)N2CCCC2)CC1 952967479 ZWWPYFJTPRRMGU-INIZCTEOSA-N 366.487 0.712 0 50 FCAA Cc1c(Cl)cccc1NC(=O)CC(=O)NCc1noc(C(N)=O)n1 1506413742 KIKCAMRQLGZLBT-UHFFFAOYSA-N 351.750 0.775 0 50 FCAA CCc1cc(N2CC[C@H](NC(=O)c3cc(C)on3)[C@@H](O)C2)nc(N(C)C)n1 1565507822 BYABPQBMHLVRHW-ZFWWWQNUSA-N 374.445 0.771 0 50 FCAA COc1ccc(F)c(F)c1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615955608 NRNDTAUJRLQJFK-MFKMUULPSA-N 364.414 0.658 0 50 FCAA CCc1cc(N2CCc3c(c(C(=O)O)nn3C)C2)nc(N2CCOCC2)n1 1704312314 PJGSADXFOKTEHP-UHFFFAOYSA-N 372.429 0.870 0 50 FCAA Cc1ccc(OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704326782 MNQKEQUAJZRULJ-ZFWWWQNUSA-N 356.444 0.396 0 50 FCAA O=C(CN1CCCN(C(=O)C2CCOCC2)CC1)NC[C@H]1CCCO1 1772810652 NMYYYCVISUDADW-MRXNPFEDSA-N 353.463 0.243 0 50 FCAA Cn1cncc1C(=O)N1CC[C@@]2(C1)Cn1c(nnc1-c1cnccn1)CO2 1857687164 PDVKTJBFOPOWOU-QGZVFWFLSA-N 366.385 0.284 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](n3ccc(O)nc3=O)C2)C1 1875380035 CPBMCIAPVREHOY-KBPBESRZSA-N 360.414 0.537 0 50 FCAA O=C(/C=c1/nc(O)/c(=C/c2cn(C[C@@H]3CCCO3)nn2)s1)c1ccco1 2325854837 XHEXUDYLQGAWHF-LCTHYKAFSA-N 372.406 0.704 0 50 FCAA C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O)C1CC1 2325898135 ULXKCXGCBRAKNK-YMTOWFKASA-N 369.377 0.616 0 50 FCAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1cc(=O)n2cccc(O)c2n1 2356162436 KABAVLFJNYLSSJ-LJQANCHMSA-N 372.425 0.349 0 50 FCAA CC(C)c1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 8410672 FNOOEBLPQLRPTN-UHFFFAOYSA-N 363.403 0.047 0 50 FCAA biogenic OCCN1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 19789026 WFPOWMAFOIYJEK-UHFFFAOYSA-N 361.431 0.801 0 50 FCAA Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)C(=O)C2)n1 65465311 FDTBUPANGWGLSJ-UHFFFAOYSA-N 354.414 0.749 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(-n2cnnc2)cc1 67588500 ATTXEVBHBYCNEH-HOCLYGCPSA-N 356.430 0.678 0 50 FCAA Cc1cn(CC(=O)N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)c(=O)[nH]c1=O 67804246 JAFLSXLIWVJWCR-OXJNMPFZSA-N 371.437 0.687 0 50 FCAA CC(CO)(CO)NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67908092 KHDZLHQYTJVXTQ-UHFFFAOYSA-N 350.327 0.455 0 50 FCAA Cc1cccc2[nH]c(COCC(=O)N3CCO[C@]4(CNCCOC4)C3)nc12 72158732 PLWKYZAPGCTXMX-LJQANCHMSA-N 374.441 0.605 0 50 FCAA Cc1cnn(CCC(=O)N2CCNC[C@H]2C(=O)NCc2cccnc2)c1 72166629 MRFRJWSPJCXLAP-INIZCTEOSA-N 356.430 0.093 0 50 FCAA O=C(c1cn(CCN2CCNCC2)nn1)N1CCCC[C@H]1c1cccnc1 77503364 MIWHGCIAERCJDN-SFHVURJKSA-N 369.473 0.946 0 50 FCAA Cc1ncsc1CCCNC(=O)c1cnc(Cn2cncn2)nc1O 91616851 OFTBYASIIUKFQQ-UHFFFAOYSA-N 359.415 0.950 0 50 FCAA CCN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 95361339 YTBMMAKADCXWER-GJZGRUSLSA-N 354.428 0.349 0 50 FCAA O=C(NCCN1C(=O)CNC1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 172152726 WEOLXZUYMDXKFF-UHFFFAOYSA-N 359.361 0.927 0 50 FCAA Cn1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1C(N)=O 188878578 VMHBZCPBDCWJLL-AAEUAGOBSA-N 369.468 0.582 0 50 FCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCc1noc(-c2ccccc2)n1 221252738 PIZHCEQVONCABA-OAHLLOKOSA-N 371.441 0.994 0 50 FCAA Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@@H](c4nnc(CO)n4C)C3)cc2n1 223209716 RXJRZCJNWBADOT-HAQNSBGRSA-N 355.402 0.643 0 50 FCAA CC(=O)[C@@H](C)n1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 239347282 MQKAQMACPRDHFY-VXGBXAGGSA-N 361.446 0.958 0 50 FCAA CC(=O)N[C@H]1C[C@H](c2nnc(CNC3(C(N)=O)CCCCCC3)n2C)C1 244678735 IIYVJRIIIIGGCQ-HDJSIYSDSA-N 362.478 0.865 0 50 FCAA COc1cncc([C@@H](NS(=O)(=O)c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c1 244811451 SCWOQDVOKRJTSZ-NVBFEUDRSA-N 352.416 0.614 0 50 FCAA O=C(O)[C@@]12[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H]1[C@@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 252427786 GCTJOCJIURITLW-NJZHKOLRSA-N 371.183 0.443 0 50 FCAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265354381 UPNWLCUHNAAMKR-DGCLKSJQSA-N 373.500 0.653 0 50 FCAA CN(CC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O)Cc1ccccn1 299785709 JYDMTOSRDDFGGP-MRXNPFEDSA-N 368.503 0.834 0 50 FCAA CN(CCC1(O)CCCC1)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426555675 RUYCYAFTMRNYAX-CQSZACIVSA-N 350.463 1.516 0 50 FCAA Cc1cccc(N(CC(=O)N2C[C@H]3CC[C@@H](C2)NC3)S(C)(=O)=O)c1 534590853 XXJMDKVOKWSQGA-GJZGRUSLSA-N 351.472 0.971 0 50 FCAA O=C(NCCN1CCC[C@@H](CO)C1)C1CCN(C(=O)C2CCC2)CC1 828711190 PIMKQPXJQUWIMZ-OAHLLOKOSA-N 351.491 0.846 0 50 FCAA CC(C)(C)c1n[nH]cc1C(=O)N1CCn2c(nn(CC(F)F)c2=O)C1 888090932 AUWWTLZJGBQXCZ-UHFFFAOYSA-N 354.361 0.987 0 50 FCAA C=CC(=O)N(CC)CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 910934581 DTWOORCVPQBMCZ-UHFFFAOYSA-N 369.462 0.899 0 50 FCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCSCC2)cc1OC 1529104438 PISRMNJEKIDXKO-CVEARBPZSA-N 366.439 0.835 0 50 FCAA O=C(Cn1ccccc1=O)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565528623 HQDUJQLVIZTUPN-IRXDYDNUSA-N 358.394 0.693 0 50 FCAA Cn1nc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)ccc1=O 1565530703 MQSAUIRKVCIUJB-AAEUAGOBSA-N 350.400 0.341 0 50 FCAA COc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)ccc1C 1704299531 QHPYJJKYIVXSDI-UONOGXRCSA-N 356.444 0.640 0 50 FCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1704336883 KKTBUGNWJISULE-OLZOCXBDSA-N 362.382 0.315 0 50 FCAA C[C@@]1(NC(=O)c2ccccc2)CCOC2(CCN(CC(N)=O)CC2)[C@H]1O 1772707273 MOOAEEBGINMKHF-ZWKOTPCHSA-N 361.442 0.276 0 50 FCAA Cc1nc(C)c(C(=O)N2C[C@H]3CN(S(=O)(=O)C(C)C)C[C@]3(CO)C2)o1 1772808844 CMSDXKZVMGDTEJ-BBRMVZONSA-N 371.459 0.396 0 50 FCAA Cc1nc(O)cc(CN2C[C@@H]3CN(Cc4nccn4C)C[C@@]3(CO)C2)n1 1772815464 RZACJOAFUWGIIU-RDTXWAMCSA-N 358.446 0.150 0 50 FCAA CC(=O)NCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857690078 VKFXXNZYPTWVDF-UHFFFAOYSA-N 352.412 0.973 0 50 FCAA C=Cn1nccc1C(=O)N1C[C@H](NC(=O)[C@H](C)n2cnnn2)CC[C@@H]1C 1875406989 QMZVEOFDMLGGRH-RWMBFGLXSA-N 358.406 0.341 0 50 FCAA Cn1nnnc1[C@@H]1CN(C(=O)COCc2nc3ccccc3[nH]2)CCO1 2100539549 NOZBEORLKYYWDS-ZDUSSCGKSA-N 357.374 0.203 0 50 FCAA CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)[C@H]1C[C@](F)(CO)C1 2325805609 VZGKNQVREQWBIM-AYMQEEERSA-N 354.401 0.958 0 50 FCAA O=C(O)CS(=O)(=O)CC(=O)NC[C@@H]1C[C@@]12CCOc1ccccc12 2325875286 MAZBMRGCDHWYRE-ZBEGNZNMSA-N 353.396 0.342 0 50 FCAA Cc1ccc(NC(=O)Cn2ccnc2CO)cc1S(=O)(=O)N(C)C 2325879722 FGOSPFDKCIMUDK-UHFFFAOYSA-N 352.416 0.573 0 50 FCAA Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCO 6665085 BBVYKBSNQAAHFI-UHFFFAOYSA-N 367.409 0.889 0 50 FCAA CO[C@@H]1CN(Cc2cccnc2)C(=O)CN(C(=O)C2=C(C)OCCO2)C1 14537077 CSUZQNIQGLDFJR-OAHLLOKOSA-N 361.398 0.546 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCn1ccnc1 19148943 RNFSPAYPRBRJMC-INIZCTEOSA-N 359.405 0.529 0 50 FCAA Cn1ncc(N2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1=O 19781917 NZESIXGMBYNCDS-UHFFFAOYSA-N 368.485 0.962 0 50 FCAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCN(C[C@H]2CCCO2)CC1 65370008 RCQIQAOYZNRSPN-QGZVFWFLSA-N 356.430 0.658 0 50 FCAA CN(Cc1nnc(SCC(=O)O)n1-c1ccccc1)S(C)(=O)=O 65467676 XKVGGXWABPGOFB-UHFFFAOYSA-N 356.429 0.835 0 50 FCAA CN1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C(=O)O 67643456 COKFHEAMXBSIKU-ZDUSSCGKSA-N 352.412 0.220 0 50 FCAA CCCN1C[C@@H](Nc2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CC1=O 71752520 RVONTTCAICAVTF-ZDUSSCGKSA-N 360.462 0.870 0 50 FCAA NCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71765550 NDIWOEKCFBVAHL-HNNXBMFYSA-N 359.474 0.360 0 50 FCAA O=C(CCc1cc2n(n1)CCNC2)NCCc1nc(-c2cccnc2)n[nH]1 72447606 DHCLGXIXQJNVBM-UHFFFAOYSA-N 366.429 0.458 0 50 FCAA Cc1nc(N(C)C)ncc1C(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77287342 IPAKFPYILFRJKV-SFHVURJKSA-N 363.462 0.150 0 50 FCAA Cn1ncc(N2CC[C@@H](CNC(=O)Cc3cn4ccsc4n3)C2)cc1=O 77392134 JRQUMMDUMZQCGD-LBPRGKRZSA-N 372.454 0.675 0 50 FCAA CCc1nc(CCNC(=O)c2cn(CCN3CCNCC3)nn2)cs1 77539628 RNUILASTXIKGFY-UHFFFAOYSA-N 363.491 0.175 0 50 FCAA CN(C)C(=O)N1CCCn2nc(CNC(=O)C(=O)c3ccco3)cc2C1 91468904 CEBYTEBHWNBWMQ-UHFFFAOYSA-N 359.386 0.863 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(O)c1)C2 91562883 OXKVWZDQBPTGNP-LSDHHAIUSA-N 359.426 0.472 0 50 FCAA CCc1n[nH]c(SCC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)n1 91908260 LCWVVHMGXXPZIH-MRXNPFEDSA-N 367.475 0.293 0 50 FCAA CCN1CCN(C[C@@H]2CN(Cc3ccc(N(C)C)nc3)C[C@@H]2CO)CC1 95352477 DWCVGCUJKMVNAM-RTBURBONSA-N 361.534 0.825 0 50 FCAA CN(C)CCN1C[C@@H](C(=O)NC2CCN(Cc3ccncc3)CC2)CC1=O 95359134 LBNGPEUEIJJMEW-KRWDZBQOSA-N 373.501 0.572 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCO)CN1Cc1cc(C)ccc1F 95509293 DRWOQLMKDJERPR-HOCLYGCPSA-N 351.422 0.712 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cc1ccc(O)cc1 96141745 VJYYRSAGPIIHLM-RDJZCZTQSA-N 373.453 0.957 0 50 FCAA COc1ccccc1-n1nc(C2CCOCC2)nc1C[C@@H]1NC(=O)NC1=O 96166282 DCSPGTYWFAVISS-LBPRGKRZSA-N 371.397 0.920 0 50 FCAA COc1cccc2c1OC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)C2 97679982 IMOODUAYZBWQCI-AWEZNQCLSA-N 368.455 0.788 0 50 FCAA COCCC(=O)N1C[C@H]2[C@H](CN3CCN(Cc4ccncc4)CC3)[C@H]2C1 102719303 QPZVNAICAZMCTB-LDLYASANSA-N 358.486 0.940 0 50 FCAA COCCc1noc([C@@H](C)NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)n1 244882713 XXAZDERXUSGDPI-UTUOFQBUSA-N 363.422 0.783 0 50 FCAA Cc1nnc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)C)C(=O)[C@@H]24)O3)s1 299759238 CWVLUJYLBKTVCR-DPYKFYPSSA-N 362.455 0.696 0 50 FCAA Cc1ccccc1CC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O 367962232 HUAZZSJKORXTBT-SFHVURJKSA-N 359.470 0.977 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 376997359 ZDZOQWNAOILDLI-NSHDSACASA-N 370.479 0.571 0 50 FCAA NC(=O)C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 426490301 ZXMARPSIKSLSJL-QGZVFWFLSA-N 351.353 0.791 0 50 FCAA CC(C)c1cc(CN(C)C(=O)c2cn(CCN3CCNCC3)nn2)on1 426571493 MFIMOBOBFYKUGZ-UHFFFAOYSA-N 361.450 0.567 0 50 FCAA Cc1cccn2c(CNC(=O)N3CCC(NS(C)(=O)=O)CC3)cnc12 534634344 KZNSMQUDBHTDRO-UHFFFAOYSA-N 365.459 0.866 0 50 FCAA CN(C)c1ncccc1CNC(=O)c1nn(C)cc1CN1CC[C@@H](O)C1 952888033 BONGNSXQEUEWNI-OAHLLOKOSA-N 358.446 0.378 0 50 FCAA Cc1nc(O)nc(O)c1CC(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 952991491 STCQUTCSOOFTAP-AWEZNQCLSA-N 360.345 0.578 0 50 FCAA O=C(Nc1cccc2nsnc12)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1073381427 VRKPVWYBGKJLNP-MNOVXSKESA-N 353.429 0.294 0 50 FCAA Cc1nonc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529188790 CYNNJUKCXLMETG-CVEARBPZSA-N 357.370 0.520 0 50 FCAA Cn1ccn2ncc(C(=O)N3CCCN(c4ncnc5[nH]cnc45)CC3)c12 1772812571 NMBRFGJXSZMANI-UHFFFAOYSA-N 365.401 0.692 0 50 FCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@@H]21 1857711143 JLFORZHFDUWQQD-IRXDYDNUSA-N 359.426 0.595 0 50 FCAA CN1C(=O)[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CCc2ccccc21 1875260634 YEAUKMBYTQFINT-NSHDSACASA-N 363.395 0.635 0 50 FCAA C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C2CC2)[C@H](C(N)=O)C1 1875267297 GAELCAGTYOFLQS-BMIGLBTASA-N 352.385 0.926 0 50 FCAA COc1ncc(C(=O)N2CCOC[C@H]2CNC(=O)c2cccc(F)c2)cn1 1875305953 NXGTWTPODYCJID-OAHLLOKOSA-N 374.372 0.895 0 50 FCAA NCCCCCCOc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325898988 HTYBVSHYRRNSJQ-HNNXBMFYSA-N 373.409 0.986 0 50 FCAA CCCCCCn1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C 1830591 LDIWTOLZRKTHCM-UHFFFAOYSA-N 353.448 0.591 0 50 FCAA COC(=O)CN1CCN(C(=O)[C@H]2COc3ccc(OC)cc3C2)CC1=O 20254822 NOQFTBISVBSYLZ-CYBMUJFWSA-N 362.382 0.090 0 50 FCAA CN(C)c1ccc(C(=S)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 20256307 JHQAHSNIVWURGJ-OAHLLOKOSA-N 360.483 0.851 0 50 FCAA CCNc1ncc(C(=O)N2CCn3nc(C(=O)N4CCCC4)cc3C2)cn1 65526646 UXGWCJCVXMHVPD-UHFFFAOYSA-N 369.429 0.997 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccccc1OC 67967982 DCGIBXLLINRZGK-STQMWFEESA-N 355.460 0.654 0 50 FCAA O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1CCCn1cnnn1 72418040 SFWGKYVTLGTBRA-CQSZACIVSA-N 362.434 0.241 0 50 FCAA CCC(CC)CN1CC2(CCN(C(=O)[C@H]3CNCC(=O)N3)CC2)OC1=O 77321280 QGAGSIMZCKYFCS-CQSZACIVSA-N 366.462 0.324 0 50 FCAA NS(=O)(=O)CCCC(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 91452635 MLWVPXHTIWHQIR-CYBMUJFWSA-N 354.428 0.845 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1)CC2 91562817 SMAKAXVLGNPPIS-AWEZNQCLSA-N 361.446 0.011 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 95380842 BEZILPONHIDBNE-LBPRGKRZSA-N 368.401 0.163 0 50 FCAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)C1 95386319 FEFGBIGUZLZGAR-OAHLLOKOSA-N 360.462 0.909 0 50 FCAA COc1ccccc1OC1CN(C(=O)Cn2nnnc2CN(C)C(C)C)C1 95527546 JWGZZJNYUPJTFR-UHFFFAOYSA-N 374.445 0.812 0 50 FCAA CC(C)(C)OC(=O)NCCNC(=O)CCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 169725163 WFCWYOYNRIQBHF-MDZLAQPJSA-N 372.491 0.963 0 50 FCAA NS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@H]2CCCO2)CC1 170609770 DTCYVPSIMGHRDE-CYBMUJFWSA-N 368.459 0.345 0 50 FCAA O=C(CN1C(=O)CNC1=O)NCc1noc(-c2c(F)cccc2F)n1 223402030 AQICSUMSHHIXHZ-UHFFFAOYSA-N 351.269 0.183 0 50 FCAA CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CCCC1 241720845 QSURORNYPMONPU-UHFFFAOYSA-N 350.466 0.002 0 50 FCAA Cc1cccc2c(O)c(C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)cnc12 295535268 WEYLKZUUFHXSJH-INIZCTEOSA-N 350.396 0.528 0 50 FCAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CCO1 299753815 ZLSKNPGEFFSLQO-HZPDHXFCSA-N 360.410 0.780 0 50 FCAA Cc1ccc(OCC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)cc1C 299756510 GERGBGXJVZCKKJ-IAGOWNOFSA-N 363.458 0.322 0 50 FCAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)[C@H]2COc3ccccc32)cn1 328639222 WTEQCCKSSJJCTO-LSDHHAIUSA-N 361.423 0.894 0 50 FCAA CCCN(Cc1nnnn1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 370493095 UVGQUNUOQXBSSG-AWEZNQCLSA-N 357.480 0.499 0 50 FCAA CCn1cc(CCN2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cn1 375725661 DOPDTKXRFJXDHD-MRXNPFEDSA-N 358.508 0.818 0 50 FCAA Cn1ccnc1CN(c1cc([C@@H]2CCOC2)nc(NCCO)n1)C1CC1 426715918 MEVWKVQMVHYNDN-CYBMUJFWSA-N 358.446 1.287 0 50 FCAA COCCc1noc(CNC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)n1 584890737 XOJOJRURXAOOTQ-OAHLLOKOSA-N 353.379 0.433 0 50 FCAA CCN1CCO[C@@H](CNS(=O)(=O)c2ccco2)[C@@H]1c1ccnn1C 888102742 JXSJRCSGQHDFID-ZFWWWQNUSA-N 354.432 0.753 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cnn(C(C)C)c1)C2 952850878 RELHYHCSZNOZFJ-DOMZBBRYSA-N 356.448 0.237 0 50 FCAA CN(C)C(=O)NCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cccnc1)C2 1565512502 LXOAZUQPNDGJFI-HIFRSBDPSA-N 359.430 0.416 0 50 FCAA Cc1c[nH]c(CN2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)c(C)c1=O 1565515251 AKWIJQKCPGSZRV-YOEHRIQHSA-N 369.487 0.210 0 50 FCAA CNCCN1C(=O)CC[C@@H]2CN(S(=O)(=O)c3cccnc3)CC[C@@H]21 1565530862 VJOXWRWBMAVNTK-HIFRSBDPSA-N 352.460 0.303 0 50 FCAA Cc1cccc2nc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)cn12 1704298380 IXCBGUFQIIQYFH-GXTWGEPZSA-N 366.443 0.279 0 50 FCAA CCn1ncc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1C 1704344960 YIPYEJPCRGMVGR-HZPDHXFCSA-N 356.492 0.679 0 50 FCAA CSCC(=O)N1C[C@H]2CN(Cc3nccn3C)C[C@]2(CN(C)C)C1 1772812676 NZEKJUYNMJHURE-RHSMWYFYSA-N 351.520 0.605 0 50 FCAA CS(=O)(=O)Cc1ccc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)nc1 1857693328 RPYUVQXVCLAGSG-CZUORRHYSA-N 353.444 0.094 0 50 FCAA CN(C(=O)Cn1c(=O)sc2ccc(F)cc21)[C@@H]1CCS(=O)(=O)C1 1875266506 HLMLIFXQKNEMNI-SNVBAGLBSA-N 358.416 0.848 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@@]2(c3ccccc3)NC(=O)NC2=O)C1 1875301356 GMAKLGJOCPTHAV-DJJJIMSYSA-N 370.409 0.262 0 50 FCAA O=C(CO)NCc1ccnc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 2100482379 VGGCSEFJMLVZMO-HNNXBMFYSA-N 368.393 0.432 0 50 FCAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N2CCc3nc(C4CC4)nn3CC2)n1 2356161415 VCDFKGZWMAYRQS-INIZCTEOSA-N 372.477 0.796 0 50 FCAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 4511480 BOAOQXRLRSTXSY-UHFFFAOYSA-N 362.835 0.828 0 50 FCAA CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 9060642 BWTMSDKSAILLFS-INIZCTEOSA-N 373.457 0.255 0 50 FCAA CCCN[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC 19821016 DQPLBUFORLRXEU-DOMZBBRYSA-N 361.485 0.943 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccccc1 20547927 HXVCQQCCHAWFQO-UHFFFAOYSA-N 355.398 0.304 0 50 FCAA O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1 27849754 HTJXMOGUGMSZOG-UHFFFAOYSA-N 355.847 0.853 0 50 FCAA biogenic,in-man COc1cccc(C(=O)N2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)c1 51204801 WFGCQVYCXLBKQB-MRXNPFEDSA-N 361.442 0.436 0 50 FCAA Cc1cc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)c2cnn(C(C)C)c2n1 65463902 JYSVCUHLUNUBNL-INIZCTEOSA-N 370.457 0.919 0 50 FCAA COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)CCC(N)=O)C2=O)c1 67473440 LTFGIXMRCWVBLO-GOSISDBHSA-N 367.421 0.495 0 50 FCAA COc1ccc(CN2CCC3(CC2)NCCNC3=O)cc1Cn1cccn1 67641053 DCDXYWCEQZTABS-UHFFFAOYSA-N 369.469 0.994 0 50 FCAA O=C1NC(=O)[C@@](c2cccnc2)(C2CCN(C(=O)c3ccc[nH]3)CC2)N1 67677724 SHJADSZGVAWZLD-SFHVURJKSA-N 353.382 0.997 0 50 FCAA CCN1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2C)CC1=O 71315276 GNIIDBCULGIDCM-LBPRGKRZSA-N 357.407 0.149 0 50 FCAA CN1CCN([C@H]2CN(Cc3cc(=O)c4cc(F)ccc4[nH]3)C[C@@H]2O)CC1 91664509 BYQVNDNOPACPBP-HKUYNNGSSA-N 360.433 0.460 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccnn2)CN1Cc1cccc(C)n1 91860128 YTOOUVZDAHKELM-WBVHZDCISA-N 368.441 0.689 0 50 FCAA O=C(CN1C(=O)CCNC1=O)N1CCN(c2nc3ccccc3o2)CC1 95498800 LQQXTWTUYJVBEX-UHFFFAOYSA-N 357.370 0.418 0 50 FCAA Cc1cccnc1N1CCN(c2nccc(N(C)C[C@H](O)CO)n2)CC1 96133831 BFLQMPWSMBSTTQ-HNNXBMFYSA-N 358.446 0.296 0 50 FCAA O=C(NCC1(Cn2cccn2)CC1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 222381855 UQFODAVLUCDTGJ-AWEZNQCLSA-N 360.439 0.683 0 50 FCAA Cn1cc([C@@H](NS(=O)(=O)c2cccc(C(=O)O)c2)C2CC(O)C2)cn1 223516362 VBIYVANCEKAZJM-HGMXIMQMSA-N 365.411 0.909 0 50 FCAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCN(c4ccccn4)CC3)n2C)C1 244787589 PZXOCKRRXNUGFO-WKILWMFISA-N 369.473 0.914 0 50 FCAA CN1CCCN(CC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)CC1 244874676 XFLZEPADOUXDHW-FQEVSTJZSA-N 362.518 0.875 0 50 FCAA NS(=O)(=O)N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 264719283 COAZLRSDYZBSTO-NVXWUHKLSA-N 369.487 0.263 0 50 FCAA O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299775196 IUIMAALLUHKWPO-HZPDHXFCSA-N 374.466 0.625 0 50 FCAA CC(=O)c1c(C)nn(CCC(=O)N2CCN(CCn3cncn3)CC2)c1C 299776742 CHOZSRNZRROTNI-UHFFFAOYSA-N 373.461 0.529 0 50 FCAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1 299796915 QEZQPMJCLPAEDV-CYBMUJFWSA-N 351.451 0.124 0 50 FCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 330357629 TUEIEILEQWEHSY-ARFHVFGLSA-N 361.398 0.724 0 50 FCAA O=C(NCC1(NC(=O)[C@@H]2CCCCO2)CCOCC1)[C@@H]1CCCCO1 333259955 LZUPHSLZCCOWQD-GJZGRUSLSA-N 354.447 0.906 0 50 FCAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCc2cnc3ccccn23)[nH]1 426563523 YXHVXEFSVDTRSS-CYBMUJFWSA-N 354.414 0.488 0 50 FCAA Cc1nc(N)sc1C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426705701 MTXDABKNUAGMOU-CHWSQXEVSA-N 360.439 1.039 0 50 FCAA Cc1cc(C)n(CCCN(C)C(=O)NCCS(=O)(=O)N2CCCC2)n1 584903564 KQBWJHOZCZGURZ-UHFFFAOYSA-N 371.507 0.957 0 50 FCAA Cc1nnc2n1C[C@@H](C(=O)NCCc1nc3cc(F)ccc3n1C)NC2 844184772 BVNPPURQUIHVPM-ZDUSSCGKSA-N 357.393 0.443 0 50 FCAA Cc1nnnn1-c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)c1 952991520 ZGCOTQXYGUEZOU-AFIMGQEJSA-N 366.381 0.321 0 50 FCAA Cc1cc(=O)cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)o1 1565507345 GWKCQXGSWNYTHG-HOTGVXAUSA-N 361.398 0.918 0 50 FCAA Cc1cc(C[C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]2O)on1 1616075355 IZMAQEAWQDPYKA-WFASDCNBSA-N 357.366 0.953 0 50 FCAA CCc1cc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)Cn2cccn2)C3)on1 1772701717 OANLRNRKBHNDMX-HOCLYGCPSA-N 359.430 0.793 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nc2ncccc2o1 1857696130 NYHWFVHOCHNJEA-UHFFFAOYSA-N 362.367 0.809 0 50 FCAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nncn2CCCOC)CC[C@H]1N 1857715108 BVRIQOYFQWJVRY-RRFJBIMHSA-N 353.467 0.853 0 50 FCAA C[C@H]1CN2C[C@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C[C@H]2CO1 1857734621 XAUDHEYZSFYYGV-AXFHLTTASA-N 353.400 0.673 0 50 FCAA C=CC(=O)Nc1cccc(C(=O)N2CCC3=NS(=O)(=O)NC=C3C2)c1 1875371878 OUELVAUTBFUWIT-UHFFFAOYSA-N 360.395 0.830 0 50 FCAA C=CC(=O)N1CC(C(=O)N(C)CCc2ncc(Br)cn2)C1 1875387737 VGSQUWIGIWRBHL-UHFFFAOYSA-N 353.220 0.884 0 50 FCAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCc2c(O)nc(O)nc2C1 2325851937 NKHHHZRAWWDJHI-GFCCVEGCSA-N 370.365 0.907 0 50 FCAA O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1 1664865 ZPBSAMLXSQCSOX-UHFFFAOYSA-N 368.366 0.580 0 50 FCAA in-vivo O=C(O)CC[C@H](CP(=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)O 2384253 SGRJLTOOQLQDRH-HTQZYQBOSA-N 354.248 0.388 0 50 FCAA O=C1CCCCN1c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12002261 UZVMUAUYJZAWMX-GFCCVEGCSA-N 372.468 0.669 0 50 FCAA Cn1cnnc1CC1CCN(C(=O)Cn2nc(Cl)ccc2=O)CC1 55254817 ONTQPFAVQCTGQS-UHFFFAOYSA-N 350.810 0.507 0 50 FCAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCO 71257145 SNYKXOAOLAFMRH-UHFFFAOYSA-N 366.451 0.794 0 50 FCAA CN1CCC(N(Cc2ccncc2)C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 72428169 NBKLIBHLGFFQNG-HNNXBMFYSA-N 359.430 0.493 0 50 FCAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)CCCC(N)=O)C1 72478071 GLAIBTLPGWTCLT-AWEZNQCLSA-N 362.478 0.773 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc[nH]n2)[C@H]3C1=O 77378985 OCPHTIIUPXKXAA-KRXQYRFLSA-N 360.414 0.187 0 50 FCAA CN(C)c1nc2c(c(N3C[C@H](C4CC4)[C@@H](NC(=O)CN)C3)n1)CCCC2 91690914 DCGDYECQTXJSRX-ZBFHGGJFSA-N 358.490 0.711 0 50 FCAA Cc1cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)on1 91915127 PSISPNRJFXSVTN-QWHCGFSZSA-N 356.448 0.255 0 50 FCAA CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91997363 LMDXEKAGIWSBSQ-QWHCGFSZSA-N 362.382 0.957 0 50 FCAA Cc1nonc1CC(=O)N1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 95389354 NCSAPCYSBHABRT-CYBMUJFWSA-N 370.417 0.700 0 50 FCAA CCC[C@@H]1C(=O)NCCN1C(=O)CCc1c(C)nc2c(c1C)c(=O)[nH]n2C 122159392 ZMQGGNKEYACTQB-CQSZACIVSA-N 373.457 0.938 0 50 FCAA O=S(=O)(N1CCOCC1)N(CCO)c1ccc(Br)cc1 164039418 OUQCVYHJWCRZTA-UHFFFAOYSA-N 365.249 0.825 0 50 FCAA C[C@H](NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C1CCOCC1 179854414 RCBXEZDZCYYHHG-LBPRGKRZSA-N 365.459 0.971 0 50 FCAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)c(C)n1 211969530 FTNYZVBZBTVGGP-KGLIPLIRSA-N 367.475 0.436 0 50 FCAA Cc1nc2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2o1 216023849 QSUVADYKOUJPEW-UHFFFAOYSA-N 351.428 0.939 0 50 FCAA Cc1cc(S(=O)(=O)NCC(=O)N[C@H](C)Cc2cnccn2)ccc1F 222945766 LRWPEERFNXEEMS-GFCCVEGCSA-N 366.418 0.950 0 50 FCAA CN1C(=O)C[C@@H](C(=O)N2CCN(c3nccn3C)CC2)[C@H]1c1cccnc1 266430211 CZLUGXGLLYSROW-NVXWUHKLSA-N 368.441 0.683 0 50 FCAA CC(=O)N1CCC[C@](O)(C(=O)N2CCN(c3ncccc3F)CC2)C1 285103496 GMWQJUCMALBTIG-QGZVFWFLSA-N 350.394 0.243 0 50 FCAA CCOc1ccccc1N1CCN(C(=O)NCCS(C)(=O)=O)CC1 299446926 UYOFEKPNWLLNTG-UHFFFAOYSA-N 355.460 0.962 0 50 FCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCCCCO2)[C@@H](C)O)cc1 329945636 XJRBPTZJAHRYQN-UKRRQHHQSA-N 356.444 0.967 0 50 FCAA Cn1nnnc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 371488859 VZEXRWSWJHZZNX-MRXNPFEDSA-N 356.478 0.639 0 50 FCAA CN=c1cc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)nc(N)[nH]1 534674488 ANIOTZNXMXQIFX-ZDUSSCGKSA-N 354.414 0.527 0 50 FCAA COCCN(C)c1ccc(CN2C[C@H](n3ccnn3)[C@H](N(C)C)C2)cn1 888078026 BPVNQYFPFUQTFI-SJORKVTESA-N 359.478 0.743 0 50 FCAA Cn1c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc(=O)n(C)c1=O 952873634 MPABKMJFKQEHHE-CQSZACIVSA-N 359.382 0.894 0 50 FCAA CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)cc1F 999887346 OUDIPIUNHWZRMY-SWHYSGLUSA-N 362.361 0.131 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCOC[C@@H]1OCC1CC1 1565529847 ZBUQOQAGNOJSMQ-HOTGVXAUSA-N 368.455 0.956 0 50 FCAA COc1ccc(C)cc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704298750 JTOFUCNADNWTNS-GXTWGEPZSA-N 356.444 0.640 0 50 FCAA CCOCc1nnc(N2C[C@H](C(=O)NC(C)(C)C(=O)OC)CC2=O)s1 1857732960 PAHHTHWPTNINHW-SECBINFHSA-N 370.431 0.495 0 50 FCAA O=C(Cn1[nH]cc2c(=O)ncnc1-2)N=c1ccn(-c2ncccc2Cl)[nH]1 1875254047 WKSQZRLJRXFYCL-UHFFFAOYSA-N 370.760 0.366 0 50 FCAA CCC(=O)NC(=S)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 1065370 FTVMGKFXMBNCOC-UHFFFAOYSA-N 370.500 0.991 0 50 FCAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COC(C)C 1758558 GGFSPCXELJRNRW-LLVKDONJSA-N 353.423 0.421 0 50 FCAA COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCOCC1 4091899 HXCLKJTZHKSWRJ-UHFFFAOYSA-N 359.400 0.440 0 50 FCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1Cc1c(C)nn(C)c1N1CCOCC1 65432800 JTNVOGUTPISRQB-ZBFHGGJFSA-N 365.478 0.243 0 50 FCAA Cc1ccc(C2(O)CCN(Cc3nc4c(cnn4C)c(=O)[nH]3)CC2)nc1 67688379 PLYSLBXARLLMSD-UHFFFAOYSA-N 354.414 0.844 0 50 FCAA Cc1cccc(C(=O)N(C)CCn2cc(C(=O)N3CCSCC3)nn2)n1 67725481 ZWUICXIMRGXGDQ-UHFFFAOYSA-N 374.470 0.943 0 50 FCAA O=C(O)Cc1cc(C2CCN(C(=O)[C@@H]3CCCCn4nnnc43)CC2)n[nH]1 67879021 DSOXOLQAZICWLV-CYBMUJFWSA-N 373.417 0.697 0 50 FCAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cc(N)nc(N)n2)C1 72477742 DOIFKVQAKAGBRV-GFCCVEGCSA-N 357.466 0.749 0 50 FCAA O=C(c1cn(-c2ccccc2)nn1)N1CCOC[C@@](O)(CN2CCCC2)C1 77286961 HRQHWYCLNJTOTM-LJQANCHMSA-N 371.441 0.567 0 50 FCAA CCCCc1nn(CC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c(=O)n1CC 77439208 CRXKXTWQZNULBR-UHFFFAOYSA-N 374.445 0.352 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)CC1=O 82121295 QBJGCHZOUJBGJS-HNNXBMFYSA-N 359.426 0.665 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CN1Cc1ccsc1 91690026 WJICVSYICMZFSH-GJZGRUSLSA-N 361.471 0.840 0 50 FCAA COc1cccc([C@@H]2CN(CCS(C)(=O)=O)C[C@H]2C(=O)O)c1OC 91793667 QASFGWXKMIHFGH-QWHCGFSZSA-N 357.428 0.848 0 50 FCAA O=C(CC[C@H]1NC(=O)NC1=O)NCCn1nc(-c2ccccc2)ccc1=O 91794476 UOTZWZYBPNKETG-CQSZACIVSA-N 369.381 0.015 0 50 FCAA O=C(NCc1cnn2cccnc12)[C@H](c1cccnc1)N1CCOCC1 95507741 CRMXQJVZFMCFFY-INIZCTEOSA-N 352.398 0.814 0 50 FCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1nnnn1-c1ccccc1 215263125 WFOUXTFRQMXPOF-UHFFFAOYSA-N 353.386 0.611 0 50 FCAA COCc1noc(CCNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1 216387016 NAGQQUPSXIVFAW-UHFFFAOYSA-N 368.415 0.439 0 50 FCAA Cc1nc(CCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)nc2c1CCC2 223231073 PPKZNMNQVXDSDO-CYBMUJFWSA-N 366.487 0.051 0 50 FCAA Cc1cc(=O)c(C(=O)N2CCO[C@@H](C(=O)O)C2)nn1-c1ccccc1F 262413278 OOMSOQSDFCRYAB-CQSZACIVSA-N 361.329 0.606 0 50 FCAA CSCC[C@H](NC(N)=O)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 271412581 XGZGZOQSZMQZOC-WFASDCNBSA-N 364.471 0.978 0 50 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0.830 0 50 FCAA CS(=O)(=O)N1CC[C@@]2(O)CCN(CCCc3cccnc3)C[C@H]2C1 1074537262 FYXZTGZJDMZQBC-IRXDYDNUSA-N 353.488 0.733 0 50 FCAA CN(CC(=O)N1C[C@@H](CC(=O)O)[C@@H](c2cnn[nH]2)C1)Cc1cccnc1 1076118463 BRQZPBMXDQDRRH-KGLIPLIRSA-N 358.402 0.348 0 50 FCAA COCCn1cnnc1CN(C)S(=O)(=O)c1ccccc1C(=O)O 1506407327 QPRGATYEYDTVQH-UHFFFAOYSA-N 354.388 0.443 0 50 FCAA Cc1nn[nH]c1C(=O)N1CCCN(C(=O)CCn2c(C)cccc2=O)CC1 1529152322 JDMBSZUOFZHHBP-UHFFFAOYSA-N 372.429 0.348 0 50 FCAA CN(C)C[C@H](O)CNC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704302983 GSNQHCWSQWTULP-OAHLLOKOSA-N 374.441 0.831 0 50 FCAA Cc1ccccc1CNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1772700433 ASVRLLTZORVYGC-QGZVFWFLSA-N 372.469 0.424 0 50 FCAA O=C(CN1CCCN(C(=O)C2CCOCC2)CC1)NC[C@@H]1CCCO1 1772810650 NMYYYCVISUDADW-INIZCTEOSA-N 353.463 0.243 0 50 FCAA CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC12CCOCC2 1800411221 IKMIGZCTNDVQLW-KRWDZBQOSA-N 372.469 0.753 0 50 FCAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1cnc(N2CCOCC2)nc1 1857690158 CISCVEVYIQPBGC-UHFFFAOYSA-N 369.429 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218975101 JUOZNVFGYQHEIV-GFCCVEGCSA-N 357.769 0.321 0 50 FCAA Nc1nc(C2CC(N)C2)cc(N2CCN(CC(=O)N3CCCC3)CC2)n1 219861089 QYSNHFFQAJWBHD-UHFFFAOYSA-N 359.478 0.008 0 50 FCAA Cc1cc(=O)n(CC(=O)N[C@@H]2COCC[C@@H]2OCCO)c2ccccc12 223902930 DYXDDJSRMUAKCG-WBVHZDCISA-N 360.410 0.593 0 50 FCAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cc2ccncc2)CC1 265855374 CFWISAAECVVCPF-UHFFFAOYSA-N 364.427 0.762 0 50 FCAA O=C1CCCN1c1ccc(S(=O)(=O)NCCc2nc(=O)o[nH]2)cc1 279170184 CRXKRHVOMBENMF-UHFFFAOYSA-N 352.372 0.011 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)cc1 299799376 GDHBTOQFTLZQNP-IRXDYDNUSA-N 356.430 0.493 0 50 FCAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cn2nnc3ccccc32)cn1 328644385 ZGHAIHRFMJPMJK-HNNXBMFYSA-N 374.426 0.163 0 50 FCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 329271787 IFZOMZCAQSPPNP-HOCLYGCPSA-N 374.503 0.292 0 50 FCAA O=C([C@@H]1CCCN1C(=O)c1ccccc1O)N1CCN([C@@H]2CCOC2)CC1 363712898 WEXRHCCBRMLKFQ-WBVHZDCISA-N 373.453 0.930 0 50 FCAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCCc2cnn[nH]2)c1 426484890 SQQGSKWWAQCWIF-NSHDSACASA-N 358.431 0.928 0 50 FCAA CN1C(=O)N(C)C2(CCN(C(=O)Nc3cccc4nn[nH]c34)CC2)C1=O 426489359 KKEMCDXHCWDSJA-UHFFFAOYSA-N 357.374 0.848 0 50 FCAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)COC[C@H]1CCCO1)C2 426494346 QIRYIGYHHFATLS-OAHLLOKOSA-N 350.419 0.447 0 50 FCAA C[C@H](C(=O)NCCSc1nnnn1C)c1nnc(O)c2ccccc12 426545437 YOQLFFPDJIRHQA-VIFPVBQESA-N 359.415 0.871 0 50 FCAA CCCCN1CCn2nc(CNC(=O)N3CCS(=O)(=O)CC3)cc2C1 534586691 JGRGFGWZPXAQPV-UHFFFAOYSA-N 369.491 0.439 0 50 FCAA CN1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)N2Cc2ccccc2)CCC1=O 880701322 BBFMGCQCHMVUQS-CVEARBPZSA-N 358.442 0.196 0 50 FCAA Cn1ccnc(N2CC3(CN(C(=O)[C@H]4CCOC4)CC(C)(C)O3)C2)c1=O 952892955 DOQSNPROBHGWHA-ZDUSSCGKSA-N 362.430 0.013 0 50 FCAA CN1CC2(CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)OCC1=O 952980134 CSMXFVQWOSHRIQ-ZDUSSCGKSA-N 350.415 0.712 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)N2CCOCC2)cs1 952981823 OALHZAXXLGCJJM-NSHDSACASA-N 361.489 0.449 0 50 FCAA CCS(=O)(=O)N1CCN(C(=O)[C@H](O)COc2ccccc2C)CC1 952983556 UWOOPHMFHNELFP-CQSZACIVSA-N 356.444 0.229 0 50 FCAA Cn1ccnc1CN1CCN(Cc2ccncc2)[C@H]2CS(=O)(=O)C[C@H]21 1565510092 JGSAKIGESCHMJG-JKSUJKDBSA-N 361.471 0.299 0 50 FCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)CCn1cnc3ccccc3c1=O)C2 1704326488 YAANAJPKJUORGP-CABCVRRESA-N 356.426 0.576 0 50 FCAA CCn1ncnc1CN1C[C@@H]2COC[C@H](C1)N(c1nccc(OC)n1)C2 1772701613 GASOQEGJXJCLKQ-KBPBESRZSA-N 359.434 0.434 0 50 FCAA CN1C(=O)NCC12CN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2 1857668580 DBJXKAVIARDDKD-UHFFFAOYSA-N 357.414 0.170 0 50 FCAA Cn1cc(S(=O)(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)nn1 1875289730 LDUKERFSBVIBRH-JTQLQIEISA-N 350.322 0.846 0 50 FCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCN(CCn2cncn2)CC1 1875314832 VJZAVWSZMNHSIA-KGLIPLIRSA-N 373.461 0.492 0 50 FCAA C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CN1c1ncc2c(n1)COC2 1875407348 XPFXBPZWXUPTIT-MBNYWOFBSA-N 359.430 0.459 0 50 FCAA CCOCC(=O)N[C@@H]1CC[C@H](C(=O)NCc2cnn(C(C)C)c2)C[C@H]1O 2100540262 GILSZIYWYBNFAQ-ARFHVFGLSA-N 366.462 0.763 0 50 FCAA Cc1cc(C2CCN(C(=O)NC[C@@H]3CCS(=O)(=O)N3C)CC2)on1 2325818189 FTMXEPGPFGIFKF-ZDUSSCGKSA-N 356.448 0.906 0 50 FCAA Cc1ccc(C(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)cc1OCCN 2356144714 JQSBQCNPHWYOFZ-RDJZCZTQSA-N 364.442 0.449 0 50 FCAA CCNc1nc(N2CCOCC2)nc(-n2nnc(C(=O)OCC)c2C)n1 973915 WHBFBDWERGXJAT-UHFFFAOYSA-N 362.394 0.206 0 50 FCAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccccc1OC 10339412 BPYFEKKVNLPAGF-GJZGRUSLSA-N 361.398 0.734 0 50 FCAA CCN(Cc1ccc(Sc2nncn2C)o1)[C@H]1CS(=O)(=O)C[C@@H]1O 63883216 SFFFUXZNRWITSF-RYUDHWBXSA-N 372.472 0.539 0 50 FCAA O=c1n(CCN2CCOCC2)nc(CC2CCNCC2)n1-c1ccccc1 65407722 XIGWDYQRCWTITK-UHFFFAOYSA-N 371.485 0.908 0 50 FCAA CC1(C)CC(NC(=O)[C@@]23CNC[C@@H]2CN(C(=O)C2CC2)C3)CC(C)(C)N1 65507951 OLUFMFNIAIHVGI-JLTOFOAXSA-N 362.518 0.870 0 50 FCAA Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)n1 67789472 OJPYGFWMPIXXMV-UONOGXRCSA-N 363.418 0.086 0 50 FCAA COCCN1CCC[C@@](O)(CN2CCC(Oc3cccnc3)CC2)C1=O 67841064 BNGKMZGTTONBAW-LJQANCHMSA-N 363.458 0.925 0 50 FCAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCCN1CCNCC1 67975395 RJDWPRFTGGJUKE-LJQANCHMSA-N 364.465 0.174 0 50 FCAA N[C@@H]1c2ccccc2C2(CCN(C(=O)CCCn3cncn3)CC2)[C@H]1O 72146476 MCGULFHNKSRPRZ-MSOLQXFVSA-N 355.442 0.993 0 50 FCAA CS(=O)(=O)c1cnc(N2CCC(CO)CC2)nc1[C@H]1CCCNC1 72430102 DBXOGYWHIDOTCK-ZDUSSCGKSA-N 354.476 0.556 0 50 FCAA Cc1cc(C)cc(CN2CCN(C(=O)CCNS(C)(=O)=O)CC2=O)c1 82134745 VURBHUBAKQQVJE-UHFFFAOYSA-N 367.471 0.414 0 50 FCAA COC[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1ccnn1C 91616361 IDKFFAYDOMRBJB-HNNXBMFYSA-N 355.398 0.942 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(O)cc1)C2 91680587 VECAWMOAIWDNBC-GXTWGEPZSA-N 353.444 0.735 0 50 FCAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2 92077974 YCJVOZDRXDWIGN-UONOGXRCSA-N 355.402 0.221 0 50 FCAA CN(C)CCN1C[C@@H](C(=O)NCc2ccccc2-n2cncn2)CC1=O 95373994 AQRVDOBFWQZUSQ-HNNXBMFYSA-N 356.430 0.294 0 50 FCAA CNC(=O)CN1CCN(Cc2c(OC)cc(OC)cc2C(=O)O)CC1 97468538 TXJFDXPXUJATQF-UHFFFAOYSA-N 351.403 0.266 0 50 FCAA CNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 121178486 CPEQKZURPCJYTR-SFHVURJKSA-N 358.486 0.931 0 50 FCAA C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3n[nH]c4c3CCC4)cn2)C[C@@H](C)O1 151824449 YZDPQLAGRZTRIE-VXGBXAGGSA-N 372.429 0.983 0 50 FCAA CN1CC[C@@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@]2(C(=O)O)C1 212849657 UVDMRWZKIKOJJE-FZKQIMNGSA-N 355.398 0.746 0 50 FCAA Cn1cc([C@@H](NC(=O)Cn2cnc3ccccc3c2=O)C2CC(O)C2)cn1 218907217 FKFVMLMCEQICNL-WFZFXDGQSA-N 367.409 0.758 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1 221440859 YJOFCYPVTSJTPJ-UHFFFAOYSA-N 364.427 0.319 0 50 FCAA COCCn1nnnc1[C@H]1CN(CC(=O)Nc2cccc(C)c2C)CCO1 244715810 LCTRFONMSWFRJR-MRXNPFEDSA-N 374.445 0.948 0 50 FCAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC[C@H](N2CCNCC2)C1 261964550 APPSWKBXELCLJQ-AWEZNQCLSA-N 360.487 0.972 0 50 FCAA CC(C)C[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O 269567315 MQCQSJLIJAURPS-KGLIPLIRSA-N 371.393 0.619 0 50 FCAA CC(=O)N1CCC[C@](O)(C(=O)N2CCN(CCc3ccccc3)CC2)C1 284898011 SWKJJCVSMPWNNZ-HXUWFJFHSA-N 359.470 0.747 0 50 FCAA C[C@@H](Cn1cncn1)NC(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 299761032 QHXWANNKHPMSCA-NSHDSACASA-N 372.433 0.745 0 50 FCAA O=C(NC[C@H](NC(=O)N1CCOCC1)C1CCCC1)N1CCOCC1 333570246 TYAGHTOWSVCNMU-HNNXBMFYSA-N 354.451 0.629 0 50 FCAA CC(C)NC(=O)CN1CCN(C(=O)NCc2ccc3nc[nH]c3c2)CC1 584892915 FZLMWUSIFOGCPC-UHFFFAOYSA-N 358.446 0.915 0 50 FCAA Cc1cc(O)nc(CCNC(=O)[C@@H](c2cccnc2)N2CCOCC2)n1 584895118 NSEJMZGUKBTTBX-QGZVFWFLSA-N 357.414 0.618 0 50 FCAA Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1Br 818527026 UBPKMHXCBUIBRJ-WCQGTBRESA-N 357.252 0.900 0 50 FCAA Cc1ccc(C(=O)N2CCC(NC(=O)CCCS(N)(=O)=O)CC2)cc1 828013245 KNRGIOQBRKKVME-UHFFFAOYSA-N 367.471 0.785 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccnn1C 886027442 YHYISCFJNFJRMG-IRXDYDNUSA-N 358.398 0.951 0 50 FCAA COc1cc2c(cc1C(=O)N1C[C@H](n3ccnn3)[C@H](N(C)C)C1)OCO2 888094429 NHMWAKRDJXUAMV-OLZOCXBDSA-N 359.386 0.643 0 50 FCAA 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FCAA CCN1CC2(CCN(C(=O)c3cc(C)n(CC(=O)NC)n3)CC2)OC1=O 72411271 LNYIQKLEKVNPAP-UHFFFAOYSA-N 363.418 0.384 0 50 FCAA CCCc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)n2nccc2n1 72421702 PFSJKCPULOWNIL-UHFFFAOYSA-N 352.464 0.610 0 50 FCAA CC(C)(O)CCc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 72468215 HPTIVNQWRGNTNP-UHFFFAOYSA-N 355.460 0.351 0 50 FCAA Cc1ccc(CN2CCN(C(=O)c3cc(=O)[nH]c(O)n3)CC2=O)cc1C 72480254 AALQTKNXLWJWQA-UHFFFAOYSA-N 356.382 0.577 0 50 FCAA Cc1nn(C)c(C)c1CN1CCn2nc(CCC(=O)NCCO)cc2C1 91410209 PVDZHCLNSMHHDN-UHFFFAOYSA-N 360.462 0.290 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CSC)CC2 91645506 PMENPOKGWYGMTH-UHFFFAOYSA-N 352.460 0.622 0 50 FCAA O=C(NCCn1cccc1)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 91746249 AXBIWWPNRVSMFT-OAHLLOKOSA-N 363.439 0.985 0 50 FCAA Cc1cc(F)ccc1CN1CCN(CCC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]21 91793188 KEHRYMNDDVKXMB-CVEARBPZSA-N 370.446 0.892 0 50 FCAA CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1ccc(CO)cc1 91847652 VNPBOUPYWVUJSB-CVEARBPZSA-N 354.472 0.754 0 50 FCAA CCOc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 95525476 NSPRSGOAFMOERL-UONOGXRCSA-N 374.441 0.632 0 50 FCAA O=C(NCCCO)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 136131623 QBNLHAMXLJITFZ-ZIGSKRJUSA-N 372.377 0.200 0 50 FCAA biogenic NC(=O)[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CCO1 195331616 CRAWSQKUMWASPB-QGZVFWFLSA-N 360.458 0.589 0 50 FCAA Nc1nc2c(c(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)n1)CCCC2 216371119 ZYOJCYYNHAXRCL-UHFFFAOYSA-N 373.457 0.649 0 50 FCAA O=C(c1ccc(N2CCOCC2)cc1)N1CCN(CCn2cncn2)CC1 222231279 HUHQMYFMSQMWFQ-UHFFFAOYSA-N 370.457 0.573 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C[C@H]12 223201204 YYAWIBIMQLHQNV-GFCCVEGCSA-N 356.209 0.705 0 50 FCAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239415342 UEULCXCLKPGFQR-KHJKEACDSA-N 352.390 0.601 0 50 FCAA O=C(Cn1cnc2sccc2c1=O)N1CCC(Cn2cncn2)CC1 275102013 DGXZSLNRRUPHMK-UHFFFAOYSA-N 358.427 0.988 0 50 FCAA O=C(Cn1ncc2ccccc2c1=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299774623 IOJHSECKMNBXDU-HOTGVXAUSA-N 366.381 0.360 0 50 FCAA Cc1noc(CCCN2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)n1 328627667 GLNQPWAGTMGARY-CQSZACIVSA-N 362.434 0.242 0 50 FCAA COCCN1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1 363250214 KMNIMXGCGGTBAX-HOTGVXAUSA-N 362.478 0.774 0 50 FCAA COCCN1C[C@]2(CCCN(C(=O)NCCn3cccn3)C2)CCC1=O 426726764 KYOPLESSGBLHNE-SFHVURJKSA-N 363.462 0.944 0 50 FCAA CS(=O)(=O)NCCNC(=O)NCc1nc(Cc2ccccc2)no1 534590151 XEFFMTCAEIZCBB-UHFFFAOYSA-N 353.404 0.009 0 50 FCAA CN(CCC(=O)N1CCOc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 823668427 JGUNEICEFZRMFI-HNNXBMFYSA-N 352.456 0.917 0 50 FCAA CC(C)C(=O)N1CCC[C@@H](NS(=O)(=O)N2CCC(C(=O)O)CC2)C1 828479684 VTCPXVPRPHQZIB-CYBMUJFWSA-N 361.464 0.264 0 50 FCAA CC(C)CC(=O)N1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 1529167393 LFODCUJNJMXMNP-MOPGFXCFSA-N 373.453 0.960 0 50 FCAA COCCNCCNC(=O)N(Cc1nccn1C)[C@@H]1CC12CCNCC2 1775960684 ZUTWKBXZJGDAMV-OAHLLOKOSA-N 364.494 0.310 0 50 FCAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(n4cnnc4)CC3)CC2=O)s1 1857712934 OJYWJZLLZMYCBQ-NSHDSACASA-N 361.431 0.655 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N=c2nc3nccc(C4CC4)n3[nH]2)cc1 1875247617 YLLDLWDROWNNGM-UHFFFAOYSA-N 358.383 0.323 0 50 FCAA Cc1nc(C(=O)N(C2CCNCC2)C2CC2)nc(N2CC[C@@H](N)C2)c1C 1875398430 PTRLGPPGOFGOCT-CQSZACIVSA-N 358.490 0.987 0 50 FCAA O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 1438649 VKELDEGRPQZKND-UHFFFAOYSA-N 358.391 0.319 0 50 FCAA CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(C(=O)O)cc2)n1 2235039 FYDVYZAFKCVYIE-UHFFFAOYSA-N 373.402 0.486 0 50 FCAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N3C2)cc1C 14538139 MLSBRICGJAJVBH-UNQGMJICSA-N 360.414 0.274 0 50 FCAA CCN1CCN(C[C@H](O)COc2cccc(CNCCCO)c2)CC1 20254927 NFNNULWQPXYPKC-SFHVURJKSA-N 351.491 0.536 0 50 FCAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCOCc2ccccc2)CC1 72115681 WJXIYFVJGZNWBB-UHFFFAOYSA-N 369.487 0.838 0 50 FCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)Cc3ccc(CO)cc3)CC[C@H]21 72470335 VOQJHJVRFHQXQR-ZWKOTPCHSA-N 359.470 0.780 0 50 FCAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 91289575 XXPJMCKNRDRVMJ-QWHCGFSZSA-N 371.397 0.638 0 50 FCAA CN(C)C(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 91535048 WAGNYUIFFVMGDF-SFHVURJKSA-N 350.463 0.899 0 50 FCAA CN1C(=O)[C@@H](CC(=O)N2CCCN(Cc3cccnc3)CC2)N(C)C1=O 91737369 BZLKRTXPWPNXBY-OAHLLOKOSA-N 359.430 0.398 0 50 FCAA O=C(c1cnc(Nc2ccccc2)nc1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 91779251 UKFWQNOZVLUEOQ-IRXDYDNUSA-N 369.425 0.738 0 50 FCAA O=C(c1ccc(S(=O)(=O)NCc2cccnc2)cc1)N1CC[C@H](O)C1 91997382 BBEFDZRLMPGPNZ-HNNXBMFYSA-N 361.423 0.767 0 50 FCAA COCC(=O)N1CCC[C@@H](C(=O)NCCc2nc(-c3cccnc3)no2)C1 95354173 FFDFGXKQGDWKHX-CQSZACIVSA-N 373.413 0.675 0 50 FCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccc(OCCO)cc1)CC2 95382285 YVLHFJIZWKFNRS-INIZCTEOSA-N 362.426 0.955 0 50 FCAA COc1cc(OC)nc(N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)n1 95385435 APJRFBNVODXBDB-SJKOYZFVSA-N 365.434 0.439 0 50 FCAA Cc1ccc([C@H](CNC(=O)N[C@H]2CCN(C)C2=O)N2CCOCC2)o1 172530717 HCYHXANMVCRPRE-KBPBESRZSA-N 350.419 0.491 0 50 FCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)C1 252431013 YHMVZSQMXAVMIT-JQWIXIFHSA-N 371.381 0.907 0 50 FCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@H](CO)C(C)C)N=C2O)cc1 252535965 HHXHXRHBKAOQNL-HUUCEWRRSA-N 363.414 0.843 0 50 FCAA CN1C[C@H](C(=O)N2CCN(CCn3cncn3)CC2)Oc2ccccc21 299779989 HSYCHLYFTRIWAC-QGZVFWFLSA-N 356.430 0.320 0 50 FCAA CCCCN1CCn2nc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2C1 299784013 RVUBNTMXRNRSCW-ZDUSSCGKSA-N 354.476 0.550 0 50 FCAA CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)C2CCCCC2)CCO1 328608583 ZUOWFMWYELTVCL-ZDUSSCGKSA-N 362.448 0.140 0 50 FCAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc(Cl)cnc2N)n1 328644371 ZFCNLEKBMUGMSM-DTWKUNHWSA-N 373.822 0.759 0 50 FCAA C[C@H]1C(=O)NCCCN1C(=O)c1c(I)cnn1C 331688223 WHJRIKDJPMBPKY-ZETCQYMHSA-N 362.171 0.375 0 50 FCAA CCCN1CCC(CCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1 426405475 HYECJBVFHYNBRW-CQSZACIVSA-N 363.462 0.229 0 50 FCAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cc2n1 632737761 ATKYPPFXIRSDFP-KOLCDFICSA-N 358.320 0.872 0 50 FCAA COCCN1CC[C@@H](CNS(=O)(=O)c2ccc(C)c(C(=O)O)c2)C1 670453142 XHVPSIVNIWFOGA-ZDUSSCGKSA-N 356.444 0.940 0 50 FCAA O=C(O)CN1CCN(CCC(F)(F)C(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1073389337 IECSDSVDLODCEG-BDAKNGLRSA-N 362.345 0.145 0 50 FCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1scc2c1OCCO2 1565528760 WVQWJNYMDIFJIG-QWRGUYRKSA-N 370.427 0.511 0 50 FCAA Cc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc(C)c1O 1704297987 ZQSFAEFWSUMPHT-KBPBESRZSA-N 356.444 0.645 0 50 FCAA CCc1cc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)nc(N2CCOCC2)n1 1704298245 IJHHDEVCVVWEII-RHSMWYFYSA-N 372.473 0.947 0 50 FCAA CN1CCC[C@]2(CO)CCN(C(=O)Cn3ncc4ccccc4c3=O)C[C@@H]12 1704338322 QVJGPHULGWQNGG-YLJYHZDGSA-N 370.453 0.702 0 50 FCAA O=C(COc1ccc(CN2C[C@@H]3CNC[C@]3(CO)C2)cc1)N1CCCC1 1772711626 GDQWEVGURCMKKS-FXAWDEMLSA-N 359.470 0.702 0 50 FCAA Cc1cccc(CC(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1 1857729813 TWXQBQDGLWXJBU-BZSNNMDCSA-N 359.470 0.974 0 50 FCAA O=C1CC[C@H](C(=O)N2CCc3c(O)ncnc3C2)CN1CC(F)(F)F 1875293305 LJCXVRYQYLOMGU-VIFPVBQESA-N 358.320 0.868 0 50 FCAA COC(=O)/C=C/C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1875378711 CMZMJZVJNNNDRC-MOEXGYKKSA-N 374.393 0.663 0 50 FCAA CO[C@H]1C[C@@H](CN)N(c2cc(NCCN3CCOC(C)(C)C3)ncn2)C1 1875392035 VAXDWQBFIYSLRV-GJZGRUSLSA-N 364.494 0.552 0 50 FCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c(C)cnn3C)C2)n1 1875396764 ABRKTSZZIVOQCN-CQSZACIVSA-N 357.462 0.863 0 50 FCAA COC(=O)CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2Cl)C1 2100543126 MHNYHJQOBDYYOA-CYZMBNFOSA-N 368.817 0.807 0 50 FCAA CCn1c(C)ccc(C(=O)N2CCC[C@]23CCCN(CCO)C3=O)c1=O 2356165703 GUMQUIWYXMVATJ-IBGZPJMESA-N 361.442 0.766 0 50 FCAA O=C1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC(=O)N1 1195150 CKPBCRMHONFQHA-UHFFFAOYSA-N 356.359 0.545 0 50 FCAA CCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 16622265 SWWXEDQLCOTWKV-UHFFFAOYSA-N 362.835 0.876 0 50 FCAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1 19782394 BRVJKWAKDIEDFM-OAHLLOKOSA-N 373.409 0.693 0 50 FCAA O=C(NCc1nnc2n1CCCC2)[C@H](Cc1ccccc1)n1cnnn1 41140461 MXSADKFMONMCRN-AWEZNQCLSA-N 352.402 0.701 0 50 FCAA CN1CCC2(CC1)CN(C(=O)c1ccc(Cn3cnnn3)cc1)CCN2C 67773428 CEQHXKFIHQDUFF-UHFFFAOYSA-N 369.473 0.573 0 50 FCAA CN(C)C[C@]1(O)CCCN(C(=O)Cn2cnc3ccsc3c2=O)C1 72168953 VZXVDZITRBFUCA-MRXNPFEDSA-N 350.444 0.373 0 50 FCAA CN1CCC(O)(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 91424898 YKCYQFSTTIAVFI-MRXNPFEDSA-N 374.485 0.436 0 50 FCAA COc1cccc([C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]2C(=O)O)c1 91745469 PLGLSHISLZDFIN-UONOGXRCSA-N 355.412 0.757 0 50 FCAA CC(C)[C@@H]1CN(C(=O)c2nnc3n2CCCC3)C[C@H]1NS(C)(=O)=O 95511797 JNZURXLFYDMQMX-NWDGAFQWSA-N 355.464 0.260 0 50 FCAA CCCN1C[C@H](NC(=O)c2ccn3nnnc3c2)C[C@H]1C(=O)N(CC)CC 96160749 QPHSVNVDSZKOQN-CABCVRRESA-N 373.461 0.575 0 50 FCAA CCOc1cc(C)nc(N2CCN(C(=O)NCc3ccnn3C)CC2)n1 113594522 ZXWGIMMESNYCOR-UHFFFAOYSA-N 359.434 0.949 0 50 FCAA CCN1C[C@]2(C(=O)O)CN(c3nc4c(cc3C(N)=O)CCC4)C[C@@H]2C1=O 215381188 UHJQFKQAXRJLRB-XIKOKIGWSA-N 358.398 0.039 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](Cn1ccnc1)c1ccccc1 215667631 UNQJTBVEWAKWDW-OAHLLOKOSA-N 353.382 0.668 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2 219080279 AGXCTYZWFFDTIM-UHFFFAOYSA-N 369.360 0.424 0 50 FCAA Cn1nc(CO)c2c1CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2 219810113 FNZQIHKKJOOKHI-UHFFFAOYSA-N 362.474 0.832 0 50 FCAA Cc1cc(=O)n(CC(=O)N2C[C@H](C(=O)O)[C@@H](c3ccccn3)C2)nc1C 222207369 ZUAJISFHJZPGNX-KBPBESRZSA-N 356.382 0.582 0 50 FCAA O=C(c1nc2ccccc2[nH]c1=O)N1CCC(O)(Cn2ccnc2)CC1 223387152 VAWNUPMRDZESTD-UHFFFAOYSA-N 353.382 0.787 0 50 FCAA C[C@H](NC(=O)[C@H]1CNCCO1)c1cc(F)ccc1N1CCC(O)CC1 237531185 MBFBPZMPJIPSDS-YVEFUNNKSA-N 351.422 0.952 0 50 FCAA Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2)c1 247812266 VFRAITTXPVTTPH-BZUAXINKSA-N 368.503 0.862 0 50 FCAA C[C@@H]1CCCC[C@@]1(CN)NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1 262863758 LOGSHOZAXFKXTF-PSLIRLAXSA-N 367.431 0.622 0 50 FCAA Cn1cnnc1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 299762034 UWCWJWHCIKWFGA-UHFFFAOYSA-N 357.414 0.821 0 50 FCAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)c1nccnc1N 328630362 JHVVDFJQPBZNKE-RYUDHWBXSA-N 374.424 0.604 0 50 FCAA CC1CCC(NS(=O)(=O)CC(=O)N2CC(=O)N(CC3CC3)C2)CC1 333344384 UGOJMYCAOQXNRV-UHFFFAOYSA-N 357.476 0.523 0 50 FCAA NS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CNC[C@H]3O)cc2)s1 534674649 UQJKXNCLKYUBHO-VXGBXAGGSA-N 367.452 0.125 0 50 FCAA CN(C)c1ncccc1CNC(=O)c1nn(C)cc1CN1CC[C@H](O)C1 952888028 BONGNSXQEUEWNI-HNNXBMFYSA-N 358.446 0.378 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)Cc2ccc(F)cc2F)[C@@H](O)C1 1565529043 KALFSMJEMIOTFG-GJZGRUSLSA-N 355.385 0.147 0 50 FCAA O=C(c1coc(CN2CCOCC2)c1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1875245167 NFUULOGTTIZYMW-RDTXWAMCSA-N 372.425 0.577 0 50 FCAA O=C1CCN(S(=O)(=O)c2ccc(F)c3cnccc23)[C@H]2COCCN12 1875305340 AJOSHKROSZTFOU-HNNXBMFYSA-N 365.386 0.953 0 50 FCAA O=C(CCC[C@@H]1NC[C@@H]2CNC[C@H]1C2)N1CCCN(c2ncccn2)CC1 2100557275 ZAVWVGDMVIXPAP-KSZLIROESA-N 372.517 0.883 0 50 FCAA Cc1nn(CC(=O)NC[C@@H](O)c2cccc(O)n2)c(=O)c2ccccc12 2356156383 ZKZVRPSOAFGJJS-OAHLLOKOSA-N 354.366 0.655 0 50 FCAA O=C1OC[C@H]2CN(C(=O)CCCn3nnc(-c4ccc(F)cc4)n3)C[C@@H]12 2356168765 MRLKLYPHXJVALV-TZMCWYRMSA-N 359.361 0.891 0 50 FCAA O=C(Cc1cc[nH]n1)N[C@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]1O 2356136957 CTQFCWLELNBLJN-WBAXXEDZSA-N 368.437 0.492 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 2926009 NPWQONKUWHWDES-UHFFFAOYSA-N 368.390 0.022 0 50 FCAA CCOC(=O)CNc1ccccc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 65507085 SKLOQVGQHHQULB-LBPRGKRZSA-N 354.428 0.826 0 50 FCAA C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(CCc2ccccc2)CC1 67841561 SVRQOAZKOAPIQW-AWEZNQCLSA-N 353.488 0.747 0 50 FCAA CCCN1CCN(C(=O)CCn2ccnc2CC)[C@H]2CS(=O)(=O)C[C@H]21 77505747 VYEALZHYYYOUQG-CABCVRRESA-N 368.503 0.555 0 50 FCAA O=C(N[C@@H]1CCN(C(=O)CCc2cccnc2)C[C@H]1O)c1ccncc1 77438546 BAZHVNPIMRKECZ-IAGOWNOFSA-N 354.410 0.801 0 50 FCAA CN(C)CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 77393912 RLCKKBNVDXJLHT-OAHLLOKOSA-N 367.471 0.200 0 50 FCAA 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O=C(C[C@@H]1COCCN1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 72153456 ZJKPLTZVLGBQLB-OAHLLOKOSA-N 367.471 0.334 0 50 FCAA O=C(O)CN1CCN(C(=O)CCC2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 77300909 SFOFQZVOLNFJSW-KGLIPLIRSA-N 358.460 0.351 0 50 FCAA O=C(NCc1ccc(F)cc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91547256 DSGIBDBYYQRVNE-HZPDHXFCSA-N 351.422 0.908 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91845747 PWUDJROFCXZMBX-DLBZAZTESA-N 368.437 0.660 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(c4cccnn4)CC3)n2C)CC1 95358279 ISROVNIQSHRCIB-UHFFFAOYSA-N 356.478 0.737 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1c2ccccc2C[C@@H]1O 95389286 PFHKGXZUHZDAJV-FUHWJXTLSA-N 353.426 0.373 0 50 FCAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CNC(=O)N(C)C)C1 95504447 RILDKTPSCPMFFO-OAHLLOKOSA-N 364.494 0.812 0 50 FCAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@]2(C(=O)O)C1 96133650 GIIIQLRJJWCVOF-NHYWBVRUSA-N 370.431 0.115 0 50 FCAA CN(CC(=O)N1CCN(C(=O)COc2ccccc2)CC1)C1CCNCC1 97730249 FZMRIBSPIQQLES-UHFFFAOYSA-N 374.485 0.420 0 50 FCAA COC(=O)C1=CN(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)N=C1C 169771873 SXWQKBRKEUSPML-NSHDSACASA-N 365.411 0.942 0 50 FCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H](CO)[C@@H](O)[C@@H]1O 241930324 UHQRLFPKGHQKEN-XVIXHAIJSA-N 366.197 0.316 0 50 FCAA CN1C(=O)N(C)C2(CCN(CCC(=O)Nc3nccs3)CC2)C1=O 243892578 AJDUEKMQJWKSFU-UHFFFAOYSA-N 351.432 0.830 0 50 FCAA COCCn1nnnc1[C@H]1CN(CCn2cnc3ccccc32)CCO1 244708301 KRGYUCCNIXHXRZ-MRXNPFEDSA-N 357.418 0.743 0 50 FCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2O)C1 244873497 WRHFZGOBWVRGOM-KLPPZKSPSA-N 364.377 0.938 0 50 FCAA O=C(Cc1nnco1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 253429938 IZLHKEREUABWDZ-UHFFFAOYSA-N 372.353 0.423 0 50 FCAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC[C@@H](N2CCNCC2)C1 261964555 APPSWKBXELCLJQ-CQSZACIVSA-N 360.487 0.972 0 50 FCAA NS(=O)(=O)N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 264719285 COAZLRSDYZBSTO-WBVHZDCISA-N 369.487 0.263 0 50 FCAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(CCN(C)C)CC(=O)O 299741679 ACXRDTBLOQJRQL-QGZVFWFLSA-N 361.442 0.997 0 50 FCAA O=C(NCCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)c1ccc(F)cc1 299776679 CLFQIUQTRWMJRT-JKSUJKDBSA-N 373.388 0.910 0 50 FCAA CN1CCCN(CC(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)CC1 426484400 FGHSPFFXWCBCNQ-OAHLLOKOSA-N 363.462 0.311 0 50 FCAA COC1CCN(S(=O)(=O)NCC2CCN(C(=O)C(C)C)CC2)CC1 670437302 JWICWEGBNLAQDS-UHFFFAOYSA-N 361.508 0.826 0 50 FCAA COCCn1nnc2c1C[C@H](c1nc(-c3ccn(C)c(=O)c3)no1)CC2 952892308 CWOAYEUDIYJAMY-GFCCVEGCSA-N 356.386 0.946 0 50 FCAA COc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1O 1704302774 SPBKNOJHLZHCMJ-NWDGAFQWSA-N 358.416 0.037 0 50 FCAA Cc1nc(O)cc(CN2C[C@H]3CN(Cc4nccn4C)C[C@]3(CO)C2)n1 1772815462 RZACJOAFUWGIIU-KSSFIOAISA-N 358.446 0.150 0 50 FCAA Cc1nn2ncccc2c1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 1775980303 XXKVTSQIKMODKW-UHFFFAOYSA-N 352.398 0.681 0 50 FCAA O=C(CCn1cnnc1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857679016 QIFNQNASUNMJBR-SFHVURJKSA-N 355.398 0.944 0 50 FCAA CC[C@@]12COC(=O)N1CCN(C(=O)Cn1cnc3ccccc3c1=O)C2 1857683284 UDJNZBDRUGBNAA-GOSISDBHSA-N 356.382 0.840 0 50 FCAA O=S(=O)(N=c1nc[nH]n1-c1ncccn1)c1ccn([C@@H]2CC2(F)F)n1 1875312601 GJHBTOGGXNVMPW-MRVPVSSYSA-N 368.329 0.057 0 50 FCAA CCn1nccc1C(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1 2325812926 RYWKYAJWQRJDFI-ZDUSSCGKSA-N 363.418 0.577 0 50 FCAA COc1nccc2c1CN(C(=O)c1coc(CN3CC[C@H](O)C3)n1)CC2 2325816055 VFVXVROZXLGHAU-ZDUSSCGKSA-N 358.398 0.843 0 50 FCAA O=C(CCn1cnnn1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356133967 PVRGDRQUNMIECR-UHFFFAOYSA-N 352.402 0.330 0 50 FCAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3nnc(=N)[nH]c3O)C1)CC2 2356160989 AYABTVYMIHHURI-GOSISDBHSA-N 369.429 0.527 0 50 FCAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCO)C2)cc1 6703379 DWTTYASJBCESLQ-CYBMUJFWSA-N 356.444 0.595 0 50 FCAA CCCS(=O)(=O)c1ncc(CN(C)CC(=O)OC)n1C[C@@H]1CCCO1 15067576 DAXGISRTCUJHJV-AWEZNQCLSA-N 373.475 0.851 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NCCn1cccn1 55254861 BURFXMPJTIBJFJ-INIZCTEOSA-N 359.405 0.529 0 50 FCAA CCN1C[C@@]2(C(=O)O)CN(C(=O)Cn3cnc4ccccc43)C[C@H]2C1=O 72426430 WBRBVAIFABDISK-KPZWWZAWSA-N 356.382 0.428 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCCN([C@H]2COC[C@@H]2O)CC1 82092872 DEHUOKDLZCJDCW-IRXDYDNUSA-N 350.463 0.264 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)c1=O 95379508 JSNJDMZGYOPJJN-CQSZACIVSA-N 371.393 0.721 0 50 FCAA O=C(Cc1csc(N2CCCC2=O)n1)NCCN1CCCOCC1 189434337 NVPDAHYMUSKRGS-UHFFFAOYSA-N 352.460 0.651 0 50 FCAA Cc1cc(=O)nc(SCC(=O)N2CCCO[C@@H](Cn3cccn3)C2)[nH]1 216263004 QLAKMNZTWCJZDG-CYBMUJFWSA-N 363.443 0.685 0 50 FCAA C[C@H](Cn1cccn1)C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 219295691 ZCRMPODFXFEJFS-CQSZACIVSA-N 368.503 0.677 0 50 FCAA COc1ccccc1[C@H]1CN(C(=O)C(=O)N2CCOCC2)C[C@@H]1C(=O)O 219542416 IYCGXWHVFOCSIS-KGLIPLIRSA-N 362.382 0.181 0 50 FCAA Cc1c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)cnn1C 222227751 BSCPIHBISDOHEQ-HZPDHXFCSA-N 358.398 0.794 0 50 FCAA Cn1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)ccc1=O 244778620 PTUVMTFHNVOTJB-HZPDHXFCSA-N 355.394 0.391 0 50 FCAA COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@@H](C(=O)O)C3)CC2=O)cc1 262963117 KLADPOAQVIUTMS-DZGCQCFKSA-N 362.382 0.356 0 50 FCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 277842275 YCSQTJDCRSZYGN-ZENOOKHLSA-N 353.806 0.138 0 50 FCAA CN1CCC[C@@H](CNS(=O)(=O)c2cnn(C)c2)[C@@H]1c1ccnn1C 284521160 LWDDMEYEXKCASE-SWLSCSKDSA-N 352.464 0.515 0 50 FCAA CN1CC(=O)N(CCCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)C1=O 299742996 LJJPGYTXXYTUSU-AGIUHOORSA-N 351.403 0.905 0 50 FCAA O=C(CN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)NCc1ccccc1 299798208 QPFREZJWOMHZRN-DMUMMCEESA-N 360.454 0.791 0 50 FCAA CCc1ncc(NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cn1 332809598 MGUJRDHDDPILBL-NHYWBVRUSA-N 354.432 0.897 0 50 FCAA COc1cc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)c(Cl)cc1C(=O)O 414340047 UCQPGZNPCYBQGB-ZETCQYMHSA-N 362.791 0.556 0 50 FCAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCCn2ccccc2=O)[C@@H]3C1=O 426415709 ZHVCPQOBLRLZPM-REGYPHIPSA-N 371.437 0.545 0 50 FCAA CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)[C@H](O)C1 426491598 WOENLIPAWLJLRP-UKRRQHHQSA-N 363.801 0.893 0 50 FCAA Cc1cnccc1N1CCCN(C(=O)NCc2noc(C(N)=O)n2)CC1 584903366 VJPXADAZKQRAMX-UHFFFAOYSA-N 359.390 0.294 0 50 FCAA COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(CC(N)=O)C2)cc1OC 824547287 SVHBBNDNMCQZKG-OAHLLOKOSA-N 363.458 0.902 0 50 FCAA Cc1noc([C@@H]2COCCN2C2CN(C(=O)Cc3cccnc3C)C2)n1 888094854 FTAMOGHLENIXSN-INIZCTEOSA-N 357.414 0.908 0 50 FCAA Cn1cc(C(=O)N2CCOC3(CCN(c4ncccn4)CC3)C2)ccc1=O 952977166 WXRWXTHBWFMTJB-UHFFFAOYSA-N 369.425 0.687 0 50 FCAA CN1C[C@@H]2CNC[C@]2(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)C1 1565515486 AVKYELNNMRXCGU-FLTIOCPDSA-N 370.501 0.593 0 50 FCAA O=C(c1ccccc1N1CCOCC1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615964043 PQDWYEGYRZJJIW-KXBFYZLASA-N 368.437 0.989 0 50 FCAA Nc1n[nH]c(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)n1 1772807382 UJXYHBQENJUXKO-SECBINFHSA-N 363.447 0.101 0 50 FCAA Cn1cc(CN2CC[C@H](NC(=O)Cc3ccccc3F)C2)c(C(N)=O)n1 1775962226 ZXRGEJWHCHUVPL-AWEZNQCLSA-N 359.405 0.591 0 50 FCAA Cc1nc(CN2C[C@@H]3COC[C@]3(C(=O)NC3Cc4ccccc4C3)C2)n[nH]1 1857686065 GMMJUHSXGFSVGB-OXQOHEQNSA-N 367.453 0.845 0 50 FCAA C[C@H]1CN2C[C@H](NS(=O)(=O)c3ccc4c(c3)OCCCO4)C[C@H]2CO1 1857692190 SIVIJWHAKJGRGQ-MJBXVCDLSA-N 368.455 0.988 0 50 FCAA NC(=O)c1cn2c(n1)CCN(C(=O)CN1CCOc3ccccc3C1)CC2 1875243307 AICJACCEXWPEDK-UHFFFAOYSA-N 369.425 0.261 0 50 FCAA CCCN(C(=O)Cn1cnc2ccsc2c1=O)[C@@H]1CCS(=O)(=O)C1 1875256418 ZAFYLAKIXWKBKM-LLVKDONJSA-N 369.468 0.884 0 50 FCAA O=C(/C=C/c1ccccc1)N[C@H]1C[C@H](C(=O)NCCn2ccnn2)C[C@@H]1O 1940197254 CTXODJBYZNAPBR-YRXQITCTSA-N 369.425 0.363 0 50 FCAA Cn1nnnc1[C@@H]1CN(C(=O)c2cc(O)c3cccc(F)c3n2)CCO1 2100555297 POLMIUNUVOQXRN-ZDUSSCGKSA-N 358.333 0.817 0 50 FCAA Cn1ccc([C@H](N=c2ccc(S(N)(=O)=O)n[nH]2)c2ccc(F)cc2)n1 2325823398 QZQYFLSZQTYFTE-OAHLLOKOSA-N 362.390 0.620 0 50 FCAA O=C(N=c1ccn(-c2ncccn2)[nH]1)N1CCC[C@H](c2nc(O)n[nH]2)C1 2325824636 KLQPBKJEMGIFCM-JTQLQIEISA-N 355.362 0.319 0 50 FCAA CC(=O)Nc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 970804 GSGUURRRUWNOER-UHFFFAOYSA-N 370.369 0.031 0 50 FCAA biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CCCO1 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FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCOc1ccccc1 1704337978 IXRUJJQQKAUQCA-DZGCQCFKSA-N 356.444 0.478 0 50 FCAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)n1 1775996347 IIWWVHQASDLYRE-CYBMUJFWSA-N 355.402 0.416 0 50 FCAA Cc1nc(C(=O)N[C@H]2CC[C@H](C(=O)N3CCN(C)CC3)C[C@@H]2O)cs1 1857703493 SBZCHOVHVDMRRJ-YDHLFZDLSA-N 366.487 0.485 0 50 FCAA O=C(N[C@H](Cc1cn(Cc2cccs2)nn1)C(=O)O)[C@H]1CCOC1 1875325306 VNQMHTJZJDXJNZ-GXFFZTMASA-N 350.400 0.536 0 50 FCAA O=C(c1cccc(Cl)c1)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14733500 DEDGMZSFEFCEMQ-OLZOCXBDSA-N 365.842 0.908 0 50 FCAA CN(C)CCN1C[C@H](C(=O)NCC2(O)C3CC4CC(C3)CC2C4)CC1=O 65387231 WZUBUHKYWZGCGI-BWVQPMQLSA-N 363.502 0.700 0 50 FCAA CCn1c([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)nn(CCN(C)C)c1=O 67770783 BBYCBTCJBADWFZ-AWEZNQCLSA-N 360.462 0.974 0 50 FCAA N[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)C(=O)O 71756255 BAQMYDQNMFBZNA-OWTLIXCDSA-N 372.491 0.411 0 50 FCAA biogenic COc1cccc(-n2cc(CN(C)C(=O)CCNS(C)(=O)=O)cn2)c1 72431005 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O=C(NCc1nc(O)n[nH]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 584894809 HIDPCYIAHADEJC-CQSZACIVSA-N 360.418 0.601 0 50 FCAA C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(O)(C(N)=O)C1 827627126 DCWJUXWCBCLWJQ-QMMMGPOBSA-N 359.195 0.825 0 50 FCAA O[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1Cc1ccncc1 1529120584 DNQDHRJGQKBRFL-MSOLQXFVSA-N 355.442 0.744 0 50 FCAA CCc1nccn1CC(=O)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565507593 SLUFQUZIDFVIMB-HOTGVXAUSA-N 350.463 0.235 0 50 FCAA COC(=O)N[C@@H](C)C(=O)N1CCCN(C(=O)CCn2cccn2)CC1 1772710625 YPIPHVLAKXUGSI-ZDUSSCGKSA-N 351.407 0.079 0 50 FCAA CCN(CC)S(=O)(=O)N1CCCN(C(=O)c2cncc(F)c2)CC1 1775982567 RVRZGAWMWPVOMQ-UHFFFAOYSA-N 358.439 0.955 0 50 FCAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc(-n2cnnn2)n[nH]1 1857671346 GEUIUCUGENKAAR-JTQLQIEISA-N 355.358 0.990 0 50 FCAA Cc1noc(CN2CCOC3(CCN(C[C@H]4CCOC4)CC3)CC2=O)n1 1857692809 VNIQZKZPMMFALR-OAHLLOKOSA-N 364.446 0.998 0 50 FCAA O=C([C@@H]1CSCN1C(=O)c1n[nH]c2ccc(O)cc12)N1CCOCC1 1875321997 FFZCMIIYYGMRHM-ZDUSSCGKSA-N 362.411 0.642 0 50 FCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnn(C)c3)C2)c1C 1875397378 YALWQQRVNSFZNZ-OAHLLOKOSA-N 357.462 0.897 0 50 FCAA CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N1CCC(c2cc(C)no2)CC1 2325819107 RXZSTJNUKHWHBV-CYBMUJFWSA-N 355.416 0.292 0 50 FCAA C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCc1cnn2c1CNCC2 2325859380 XKPFUCNCXADZLG-LLVKDONJSA-N 367.413 0.297 0 50 FCAA O=C(O)CS(=O)(=O)CC(=O)NC[C@H]1C[C@]12CCOc1ccccc12 2325875283 MAZBMRGCDHWYRE-BDJLRTHQSA-N 353.396 0.342 0 50 FCAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)[C@@H]4CCOC4)cc3C2=O)C(=O)N1 2325886650 DLDYDDGIYXHMKP-HIFRSBDPSA-N 371.393 0.100 0 50 FCAA Nc1cncc(-c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2)n1 2356154191 MANGNZOYKBWLBD-UHFFFAOYSA-N 350.386 0.806 0 50 FCAA COCCCNC(=S)NNS(=O)(=O)c1ccc(OC)c(OC)c1 2858195 APXREWCDUMFSPQ-UHFFFAOYSA-N 363.461 0.398 0 50 FCAA COc1ccccc1C(=O)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14743108 QYJWDWNJHCKKLE-OLZOCXBDSA-N 361.423 0.263 0 50 FCAA O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20043889 CDPDPSAZZWHTMR-INIZCTEOSA-N 368.455 0.757 0 50 FCAA CCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CC)CC3)n2)CC1 20166333 NPLKXWFZPGAUIU-UHFFFAOYSA-N 359.474 0.637 0 50 FCAA O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC1CC1 35802454 NPWPPJGIVMQPKQ-UHFFFAOYSA-N 357.863 0.925 0 50 FCAA Cc1cn(CC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c(=O)[nH]c1=O 55342659 YLQKGKHUAIZGDZ-OAHLLOKOSA-N 358.398 0.448 0 50 FCAA Cc1nc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2 65386714 WCTWLWPMHPXDEL-CQSZACIVSA-N 359.474 0.690 0 50 FCAA COc1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)o1 67805548 RKTYPIHXUSTQKG-LLVKDONJSA-N 363.374 0.079 0 50 FCAA CCN1CCN(C(=O)Cc2ccc(N(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77321119 BJHAYMVFOKHPAB-SJORKVTESA-N 365.499 0.625 0 50 FCAA Cc1c[nH]c(CN2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)c(C)c1=O 95373971 AKWIJQKCPGSZRV-RHSMWYFYSA-N 369.487 0.210 0 50 FCAA COc1ccc2c(c1)OC[C@]1(CO)CN(C(=O)Cn3nc(C)cc3N)C[C@H]21 95511548 VVISOOOKZNDVDS-DNVCBOLYSA-N 372.425 0.779 0 50 FCAA O=C1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)CN1 95531599 CRMCNNRFNPRCPA-ZDUSSCGKSA-N 371.441 0.158 0 50 FCAA Cn1ccnc1CN(CCO)C(=O)CN1C[C@H](c2ccccc2)CC1=O 96167104 NIYASKRXZDATGX-MRXNPFEDSA-N 356.426 0.757 0 50 FCAA Cc1csc2nc(CN3C(=O)N[C@](C)(c4cnn(C)c4)C3=O)cc(=O)n12 153826185 HMPTUYBIFXKRDH-MRXNPFEDSA-N 372.410 0.765 0 50 FCAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(Cc1noc(C3CC3)n1)C2 218788446 OEWGMTQKRNGQQK-INIZCTEOSA-N 355.402 0.975 0 50 FCAA CCc1c(C)nn(CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1C 222720947 SOYUOXGNTPAFRW-UHFFFAOYSA-N 370.457 0.905 0 50 FCAA CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1 225669115 DUUZBABBMXZZTF-SJORKVTESA-N 360.458 0.966 0 50 FCAA Nc1nnc(CCNC(=O)C2CCN(C(=O)c3ccncc3)CC2)s1 244873085 WJWIGBWXYKDZQE-UHFFFAOYSA-N 360.443 0.726 0 50 FCAA CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 268391065 PVALEDXBDXCAOO-NXEZZACHSA-N 370.460 0.172 0 50 FCAA Nc1ccnc(CN2CCC[C@H](c3[nH]ncc3CN3CCOCC3)C2)n1 275925632 KFSQFWDUKLRHIR-AWEZNQCLSA-N 357.462 0.994 0 50 FCAA CCc1noc(-c2cccc(NC(=O)N3CCN4CCNC(=O)[C@H]4C3)c2)n1 426518839 SMXXVJZVLOCTBD-CQSZACIVSA-N 370.413 0.947 0 50 FCAA Cc1ccn(CC(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)c(=O)c1 886027106 FQIHUXWHXKTSEB-YJBOKZPZSA-N 359.430 0.078 0 50 FCAA CN1C(=O)CC[C@@H](NC(=O)c2nccn3ccnc23)[C@@H]1c1nccn1C 886084706 BJAOJYFOXWVCNY-BXUZGUMPSA-N 353.386 0.555 0 50 FCAA CN1C(=O)CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1nccn1C 886085033 VZHKEWYHRYMGSD-BXUZGUMPSA-N 350.810 0.748 0 50 FCAA CN1C(=O)CC[C@H](CNS(=O)(=O)c2ccco2)[C@H]1c1cnn(C)c1 886088662 DYXUSBNIZLQUBY-ABAIWWIYSA-N 352.416 0.901 0 50 FCAA O=C1C[C@H](S(=O)(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)CN1C1CC1 908226284 CGRRNOYUAMQBGJ-HYVNUMGLSA-N 364.467 0.615 0 50 FCAA CCc1ccccc1C(=O)NC[C@H]1C[C@H](c2nn(C)c(=O)n2C)C[C@H]1O 952848325 FDNSWBGULGTMTA-SQWLQELKSA-N 358.442 0.966 0 50 FCAA Cc1cccc2ncc(C(=O)N3CC[C@@H]4OCc5cnnn5[C@@H]4C3)c(=O)n12 1076066670 VPBIOAYSVHQUEP-CABCVRRESA-N 366.381 0.580 0 50 FCAA Cc1cc(C(=O)N2CCCN(C(=O)[C@H](C)n3cccn3)CC2)nc(N)n1 1529159607 VUQLUOYDRPXKTR-ZDUSSCGKSA-N 357.418 0.499 0 50 FCAA Cc1ccc(OCCN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c(C)c1 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CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)n1 299740192 WTIIXOMAWGENOY-RDBSUJKOSA-N 351.451 0.939 0 50 FCAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 299790364 BUZZYXIQBURHTJ-BTJLNZGRSA-N 351.403 0.924 0 50 FCAA Cn1cnn(CC(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)c1=O 423580564 SGPSCKBJDDXZMN-CQSZACIVSA-N 361.471 0.814 0 50 FCAA O=C(NCCc1nc(-c2ccccn2)no1)N1CCS(=O)(=O)CC1 426430941 DBEMMZMYQGOPAS-UHFFFAOYSA-N 351.388 0.114 0 50 FCAA CC(=O)NC[C@H]1CCCN(c2ncnc3c2ncn3CC2(CO)COC2)C1 888098098 ZMCJJTLVLNLUPY-CQSZACIVSA-N 374.445 0.188 0 50 FCAA Cc1nn[nH]c1C(=O)N1CCC(CNC(=O)CCc2cnn(C)c2)CC1 952991016 YKENPGPMWYXSBS-UHFFFAOYSA-N 359.434 0.448 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)CCOc1ccccc1F)C2 1704308412 QNVWUWRQQNSQSQ-KBPBESRZSA-N 358.435 0.797 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cncc(Cl)c3)C[C@H]2CO1 1857732417 PIPHVGVYKNKVLQ-ILXRZTDVSA-N 366.849 0.785 0 50 FCAA CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1875390209 LJBJXDQAWJAURM-SNVBAGLBSA-N 360.819 0.643 0 50 FCAA CC(C)n1ncc(=NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[nH]1 2100542618 AWAXOCFTHKIKGF-UHFFFAOYSA-N 355.395 0.825 0 50 FCAA O=C(NCc1c[nH]nc1-c1ccccc1)C1(c2nn[nH]n2)CCOCC1 2325865227 SOBRAFWQUVJXHB-UHFFFAOYSA-N 353.386 0.954 0 50 FCAA CNc1cncc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)c4cn(C)cn4)C[C@H]23)c1 2325873768 SMEBHQDHVNIYPC-QKDCVEJESA-N 354.414 0.605 0 50 FCAA C[C@H](O)C(=O)N1CCOC[C@@H]1CN(C)C(=O)Cc1c(F)cccc1F 2325875432 ROIHFYCBTSMJGI-RYUDHWBXSA-N 356.369 0.574 0 50 FCAA Cc1nc(CNC(=O)c2cn(CCN3CCOCC3)nn2)sc1C 20208235 ZPINJOBZKSOMPC-UHFFFAOYSA-N 350.448 0.614 0 50 FCAA COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)C2 65435685 PVSJUOJFKPWMJH-ZDUSSCGKSA-N 362.430 0.907 0 50 FCAA CN(C)c1ncnc2c1CCN(C(=O)c1cc(-n3cnnn3)ccc1O)C2 71764414 WKGNZQNVJCLIPX-UHFFFAOYSA-N 366.385 0.422 0 50 FCAA O=C(NC1CC1)[C@@H]1CNCCN1C(=O)c1cc(=O)c2cccc(F)c2[nH]1 72150325 KGGMQRDWTWVPFI-AWEZNQCLSA-N 358.373 0.360 0 50 FCAA CCCn1ccnc1CN1CCN(C(=O)NCC)[C@H]2CS(=O)(=O)C[C@H]21 72467975 NJYUFXJCBAHLFO-KGLIPLIRSA-N 369.491 0.306 0 50 FCAA CCCCN1C(=O)CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 72479189 DISBZKWWEDTYAZ-QWHCGFSZSA-N 350.419 0.178 0 50 FCAA Cc1cc(C(=O)N2CCC(c3nnc(CN(C)CCO)n3C)CC2)[nH]n1 77406105 PUQPCJMOTQHONS-UHFFFAOYSA-N 361.450 0.291 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 82121153 NZBOIHWCJVCEDG-UHFFFAOYSA-N 363.462 0.566 0 50 FCAA O=C(c1ccc(Cn2ccnc2)o1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91665428 QIDARMAKJAFQGP-IBGZPJMESA-N 372.425 0.971 0 50 FCAA CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 91707719 WPJXAYFBUYZXMR-HNNXBMFYSA-N 363.462 0.329 0 50 FCAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2ccnn2C)CC1 91872793 LPZLYXUUPQJPNM-UHFFFAOYSA-N 369.433 0.691 0 50 FCAA CC(C)c1nccc(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C2CC2)n1 91974166 MJWBWIHTKCRSNO-OCCSQVGLSA-N 352.460 1.000 0 50 FCAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(Cl)cc1F)CCN2CCO 95381035 INWRFFQSUCVLTL-CABCVRRESA-N 362.854 0.755 0 50 FCAA COc1cc(CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)cc(OC)c1 95383129 CWLWYCKNSSTORI-QZTJIDSGSA-N 363.502 0.992 0 50 FCAA O=C(c1c[nH]nc1-n1cnnn1)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 95526960 POVKNDPKQNDSEG-QGZVFWFLSA-N 370.417 0.393 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnn(CC)c2)CN1C(=O)c1ccoc1 96148505 QRSAJKJYERINGM-GJZGRUSLSA-N 373.413 0.645 0 50 FCAA CN1CCc2n[nH]c(C(=O)NCC[C@@H]3CCCCN3S(C)(=O)=O)c2C1 97730142 BSESKLPBEKUUKS-LBPRGKRZSA-N 369.491 0.332 0 50 FCAA O=C([C@@H]1CC(F)(F)CN1)N1CCCn2nc(CN3CC=CC3)cc2C1 102752216 XLXCPANLTKDRKO-HNNXBMFYSA-N 351.401 0.984 0 50 FCAA O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 120593202 LFUPNIRQWUCFMU-MRXNPFEDSA-N 369.425 0.978 0 50 FCAA O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)Nc1ccc(F)cc1 169772599 HNJUQPCRBAERBD-UHFFFAOYSA-N 369.374 0.263 0 50 FCAA COC[C@H](NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C1CC1 181572588 YJTLFVZDBLPCRB-AWEZNQCLSA-N 351.432 0.580 0 50 FCAA Cc1nccn1CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 215327145 QIMCDKNNGATMFK-MRXNPFEDSA-N 367.409 0.989 0 50 FCAA COc1cncc([C@@H](NC(=O)CCN(C)S(C)(=O)=O)[C@H]2C[C@H](O)C2)c1 219755536 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NHBITXYQOGCCOR-UHFFFAOYSA-N 372.425 0.933 0 50 FCAA COc1ccccc1C(=O)N1CCO[C@H](CNc2nccn(C)c2=O)C1 328626237 DXHWPRHKBBWHIS-CYBMUJFWSA-N 358.398 0.742 0 50 FCAA CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(N3CCOCC3)ccn2)C1 333347636 VDCJZFWJAYSXRL-CQSZACIVSA-N 353.444 0.567 0 50 FCAA Nc1nc(O)cc(N2CCC(NC(=O)c3onc4c3CCCC4)CC2)n1 426501704 DAASOPOSNNOSOW-UHFFFAOYSA-N 358.402 1.030 0 50 FCAA CO[C@@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@H]1c1cn(C)nn1 886077809 GREMCPWKALFSNP-SUMWQHHRSA-N 354.414 0.885 0 50 FCAA Cc1cnc(COCC(=O)N(C)[C@H]2COC[C@H]2Oc2cnn(C)c2)o1 888078276 FYBABBNMHRTOOB-UONOGXRCSA-N 350.375 0.538 0 50 FCAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CC2(C1)CS(=O)(=O)C2 910706048 DRTYMKNHCNCWBT-UHFFFAOYSA-N 360.439 0.693 0 50 FCAA O=C(CCc1nc(Cl)n[nH]1)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565515826 ZXKZHIMWDBCSLG-QWRGUYRKSA-N 370.866 0.599 0 50 FCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc(N2CCOCC2)nc1 1704351333 HFYDAGJQENFNKB-WBVHZDCISA-N 369.425 0.696 0 50 FCAA CN(CCc1cnn(C)c1)C[C@@]1(O)CCCN(C(=O)C2CCOCC2)C1 1857728881 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O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)Nc1ccccc1 169772609 WHGGBSLWFBTNJA-UHFFFAOYSA-N 351.384 0.124 0 50 FCAA C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 185763641 AIHPLHYFSVKCOW-MGUXCZDKSA-N 359.473 0.265 0 50 FCAA Cc1cc(=O)nc(S[C@H](C)C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)[nH]1 215595362 HCMNMGCZZGOVEX-SECBINFHSA-N 361.427 0.503 0 50 FCAA Nc1[nH]nc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)c1-c1ccccc1 218609405 WJMGFVGAQZZHOW-VXGBXAGGSA-N 360.370 0.647 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1F 237443329 CDLBRQWEXGCOKL-CABZTGNLSA-N 350.437 0.635 0 50 FCAA CN(C)S(=O)(=O)N1CCN(C[C@@H]2CC(c3ccccc3)=NO2)CC1 244795559 RIQVKTZQRHQXOG-HNNXBMFYSA-N 352.460 0.604 0 50 FCAA C[C@H]1Oc2ccccc2N(CCC(=O)N2CCO[C@H](CC(=O)O)C2)C1=O 269049726 UZJWUUJDKJHMLO-CHWSQXEVSA-N 362.382 0.893 0 50 FCAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOC[C@]23CCOC3)c1 282498129 KDQRNACEKJDKGF-QGZVFWFLSA-N 366.439 0.759 0 50 FCAA CCC(=O)Nc1cc(NC(=O)NCCS(=O)(=O)NC)ccc1OC 299765251 KWEKYUKPEMZGTG-UHFFFAOYSA-N 358.420 0.714 0 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357.414 0.871 0 50 FCAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCN(c2cnccn2)CC1 426518949 KCPRTRCNEXBZPN-OAHLLOKOSA-N 355.446 0.489 0 50 FCAA Cc1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1OCCCN 426707234 PITNPBUMXQBYTH-CYBMUJFWSA-N 355.460 0.473 0 50 FCAA O=C1CC2(CCN(C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)CN1 1319156620 MDNYMMAPUSFEPP-UHFFFAOYSA-N 373.457 0.730 0 50 FCAA O=C(Cn1ccc(=O)cc1)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565509226 KMESOFXKVISADR-ROUUACIJSA-N 358.394 0.693 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2cc3ccccc3cn2)[C@@H](O)C1 1565515842 DSSZNTKQXLAFGN-RDJZCZTQSA-N 356.426 0.488 0 50 FCAA COc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(C)c1 1704312180 MQSARXXZPFETQR-WFASDCNBSA-N 356.444 0.640 0 50 FCAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cc(-n2cnnn2)n[nH]1 1857678418 FXGDSUOLQCEIJT-CYBMUJFWSA-N 355.406 0.975 0 50 FCAA COC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2cccs2)C[C@@H]1C 1875295928 ALXCPDDTTYONPF-NSHDSACASA-N 360.457 0.962 0 50 FCAA CN1CC[C@H](O)[C@H](C(=O)NCCn2nc(-c3ccccc3)ccc2=O)C1 2100534621 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CMQVCDCLWKXSPC-HUUCEWRRSA-N 367.427 0.427 0 50 FCAA C[C@H](Cn1cccn1)NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 223252189 BFRAWBWIACAKBC-CQSZACIVSA-N 362.455 0.936 0 50 FCAA Cc1onc(N)c1S(=O)(=O)NC(=O)c1cnn(Cc2ccccc2)c1 225857003 IIUBKCBQZJHUFE-UHFFFAOYSA-N 361.383 0.929 0 50 FCAA CCn1c(CN2CCC(O)(CN3CCCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244773719 PFDRJGWBXYYLKQ-IYBDPMFKSA-N 362.522 0.925 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)cs1 248025125 JFTLKNNYQFSRIU-ZJUUUORDSA-N 357.457 0.349 0 50 FCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OCC(=O)O)c2)C1 299752921 VZPJRRIIWPUADP-ZDUSSCGKSA-N 370.427 0.438 0 50 FCAA Nc1ccnc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299760695 JHQMIHSPRZKSAZ-MRXNPFEDSA-N 374.489 0.820 0 50 FCAA O=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1n[nH]c2c1CCC2 299763504 WMSRCEFZYKYDQQ-UHFFFAOYSA-N 366.487 0.670 0 50 FCAA Cc1cc(C)n2nc(CC(=O)NC3CCN(c4cnccn4)CC3)nc2n1 299795065 KYQDBYXTVMCXAU-UHFFFAOYSA-N 366.429 0.859 0 50 FCAA NC(=O)c1cnn2c1C[C@H](CNc1ncncc1Br)CC2 372539451 QQHVUHLUZPQPPQ-MRVPVSSYSA-N 351.208 1.209 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cnn[nH]2)cc1 426484893 STPVVGFBVCWEGH-MRXNPFEDSA-N 356.430 0.163 0 50 FCAA COCCN1C[C@@]2(CCCN(C(=O)NCCn3cccn3)C2)CCC1=O 426726763 KYOPLESSGBLHNE-GOSISDBHSA-N 363.462 0.944 0 50 FCAA Cc1nn(CCCNC(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)c(C)c1C 584887921 PKQPFHMAJSDLHX-GOSISDBHSA-N 363.462 0.841 0 50 FCAA Cn1cc([C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)CCC(=O)N2C2CC2)cn1 952853012 VTCLQRZRNIZBSO-BZNIZROVSA-N 357.418 0.421 0 50 FCAA O=C1CO[C@H](C(=O)N2CCC(N3CCCC3)CC2)[C@@H](c2cccnc2)N1 1529167269 HAWBLUAZHCSEMY-MSOLQXFVSA-N 358.442 0.725 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1O 1529174347 UJXWQJQYFGTWJY-GWCFXTLKSA-N 364.826 0.803 0 50 FCAA O=C(CC1=CSC2=NCCN12)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565509730 BHRKBJLLYAFBFL-HOTGVXAUSA-N 373.482 0.783 0 50 FCAA O=C(CCSc1ccc2c(c1)OCCO2)N[C@H]1CS(=O)(=O)C[C@@H]1O 1565510543 LKXIDZKWNZRCAJ-RYUDHWBXSA-N 373.452 0.214 0 50 FCAA Cc1cc(=O)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)c[nH]1 1565513577 OOGQJXDBCIOVNT-KGLIPLIRSA-N 367.409 0.850 0 50 FCAA COc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1Cn1cccn1 1704325358 IKUHQHCGWBVVEW-SJORKVTESA-N 356.426 0.887 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cccc(N(C)C)c3)C[C@H]2CO1 1857733037 RXGQVGMFRXUUNW-SZMVWBNQSA-N 374.485 0.802 0 50 FCAA O=C(c1ccc2c(c1)nc(O)n2CC1CC1)N1CC(=O)N2CCOC[C@H]2C1 1875302509 TUISNBYEKFSAPE-CQSZACIVSA-N 370.409 0.835 0 50 FCAA O=C1CN(CC(=O)N2CCCN(c3nc4ccccc4o3)CC2)C(=O)N1 2100539462 JRBOYTPEUFQAGE-UHFFFAOYSA-N 357.370 0.418 0 50 FCAA COC(CNC(=O)[C@@H](c1nc(=O)o[nH]1)C(C)C)(OC)c1ccccn1 2325850279 SOSROTSTYZGFGX-GFCCVEGCSA-N 350.375 0.760 0 50 FCAA CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)C(=O)O 2325895869 LKRUNMZIUICADS-QWHCGFSZSA-N 373.365 0.041 0 50 FCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4n[nH]c5c4CN(C)CC5)C[C@@H]13)O2 2356157422 KBUGHZVMVDNNGV-AGLNLLDASA-N 359.474 0.579 0 50 FCAA CCn1ncc(NC(=O)Cn2cc(Br)c(C)n2)c1C(N)=O 2778464 PHHMPTUQCIYMAR-UHFFFAOYSA-N 355.196 0.908 0 50 FCAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C[C@@H](O)CO)CC1=O 14751192 DLGSEFSNASMCDX-QZTJIDSGSA-N 350.459 0.725 0 50 FCAA CCCN[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1cc(C)ccc1OC 19821021 DQPLBUFORLRXEU-SWLSCSKDSA-N 361.485 0.943 0 50 FCAA C=CC(=O)OC[C@@H](O)COCCCCCCOC[C@@H](O)COC(=O)C=C 25722603 SUJXBUNMDOEWOG-IYBDPMFKSA-N 374.430 0.760 0 50 FCAA COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 34244975 FPMLCYUEXWDCDX-WFASDCNBSA-N 374.397 0.925 0 50 FCAA in-vitro CCc1ccc2nc(C)cc(C(=O)N[C@@H]3C[C@H]4C(=O)NCC(=O)N4C3)c2c1 65470150 YIEPTMROMITDQG-DYVFJYSZSA-N 366.421 0.935 0 50 FCAA O=C1COc2ccc(S(=O)(=O)N3CC[C@]4(CCCNC4)C3)cc2N1 67433031 NWNPYJNITJGPOX-INIZCTEOSA-N 351.428 0.782 0 50 FCAA CN(C[C@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67676074 MHVXBXQZRVLAIR-SECBINFHSA-N 360.457 0.892 0 50 FCAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCNC(=O)C3)C2=O)c1 67691455 KANGBRNDXPQTKP-SFHVURJKSA-N 365.405 0.120 0 50 FCAA O=C(c1ccc(NC[C@@H](O)CO)nc1)N1CCC(CCn2cccn2)CC1 67872590 WPQGFCSUBCSSHQ-QGZVFWFLSA-N 373.457 0.986 0 50 FCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCO)c(C)c1C 72149609 CAVJANIPXMTTDK-MRXNPFEDSA-N 363.458 0.501 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72156642 DCSNYCLDPLLSKU-MRXNPFEDSA-N 356.426 0.240 0 50 FCAA O=C(NC[C@@]1(O)CCCN(CCCn2cnnn2)CC1)c1ccccc1 72166604 KKBMAWLDAHELTL-GOSISDBHSA-N 358.446 0.710 0 50 FCAA Cc1noc(C)c1CC(=O)N1CCC[C@](O)(CNS(C)(=O)=O)CC1 72423071 QPJXTHCFBSLDNL-OAHLLOKOSA-N 359.448 0.127 0 50 FCAA CCCc1nc(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c2cnn(C)c2n1 72468198 HSWVQHJIEIEFKV-GJZGRUSLSA-N 359.478 0.113 0 50 FCAA CN1CCN(C(=O)CCCOCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 77407108 MPSBOVDFWSRFPV-SJORKVTESA-N 366.483 0.923 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1Cc1cccnc1N 91713565 FIBFJYMGMNMCHV-HOCLYGCPSA-N 368.441 0.568 0 50 FCAA CC(C)[C@@H](O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91724356 MOFHXVFNICRMGX-CYBMUJFWSA-N 370.475 0.062 0 50 FCAA CNC(=O)CCN(C)S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95363658 PAJVSMAYAUHCFT-UHFFFAOYSA-N 353.444 0.726 0 50 FCAA CCCCN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1=O 95386604 STWRYGAGVAWNOT-OAHLLOKOSA-N 358.442 0.901 0 50 FCAA Cc1ccc(CN(C)C(=O)Cn2ncc(N3CCCN(C)CC3)cc2=O)o1 95506340 OVOKMWJBWWSCBA-UHFFFAOYSA-N 373.457 0.945 0 50 FCAA Cc1nc(CC2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)no1 95508858 HLKJIRVIXYAXCG-OAHLLOKOSA-N 363.462 0.569 0 50 FCAA CN1CC2(CCN(C(=O)CN3C(=O)COc4cccnc43)CC2)OC1=O 95520626 KBBASISLGMWLRH-UHFFFAOYSA-N 360.370 0.250 0 50 FCAA Cc1nc(O)cc(CCNC2CCN(c3ncnc4[nH]cnc34)CC2)n1 96151079 BFJPNAOVDYYTKU-UHFFFAOYSA-N 354.418 0.958 0 50 FCAA CCN1CCC[C@H](C(=O)N2CCN(CC(=O)Nc3cccnc3)CC2)C1 97117452 VTLVVVOOLHBSQM-INIZCTEOSA-N 359.474 0.896 0 50 FCAA C[C@H]1CNCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O 125788183 FCNYPVVRAKZINW-JTQLQIEISA-N 365.231 0.979 0 50 FCAA CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[S@](=O)C3)ccc2c1=O 170651688 JWQUKFIDNRKWFD-WYVULQQZSA-N 351.453 0.956 0 50 FCAA O=C(NC1CCN(C2CCOCC2)CC1)c1cc(-n2cnnn2)ccc1O 218955896 BNSNNMQVEJCCSZ-UHFFFAOYSA-N 372.429 0.741 0 50 FCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)COc1cccc(-n2cnnn2)c1 222450287 BJKZXIJAPWFOAE-ABFRBSLYSA-N 359.386 0.207 0 50 FCAA COc1ccc([C@@H](O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 222854987 WQOWTQCKCUJVCS-MRXNPFEDSA-N 370.409 0.571 0 50 FCAA N[C@H]1CC[C@@H](n2cc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)nn2)CC1 244796108 RTBQIKBDKIPWGX-KFWWJZLASA-N 370.461 0.909 0 50 FCAA CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2ncn(C)n2)CC1 291595634 XTNBNZBARARMNO-MRXNPFEDSA-N 368.441 0.551 0 50 FCAA CN(C(=O)c1cc(C(=O)O)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 299753113 WWNIVHBNJMWHCI-GFCCVEGCSA-N 363.395 0.830 0 50 FCAA CCc1nnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)o1 299784088 WLNUIEAGNZSUTE-ZDUSSCGKSA-N 361.402 0.540 0 50 FCAA Cc1nccnc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 373002419 KHHUJEGFBDAYHE-JKSUJKDBSA-N 356.430 0.945 0 50 FCAA COc1cccc(C(=O)N2CCN3CCN(C)C[C@@H]3C2)c1OCCCN 426525991 FJQBPTWTWMKWKE-OAHLLOKOSA-N 362.474 0.495 0 50 FCAA COCCc1noc(CN2CCN(c3cc(C)nc4ncnn34)CC2)n1 503593996 HNYCTLWPWFYNCI-UHFFFAOYSA-N 358.406 0.327 0 50 FCAA CC(C)CN1CCC(N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 821246112 PJXUZVCHVMLDRI-UHFFFAOYSA-N 374.551 0.301 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N(CCO)Cc2nccn2C)cc1 952969680 OOVCOEISVHFQOS-UHFFFAOYSA-N 355.402 0.268 0 50 FCAA Nc1ncnc2cc(C(=O)NCc3cn(C4CC4)c(=O)nc3O)ccc12 1303104266 ISFQDTLFRQYEPQ-UHFFFAOYSA-N 352.354 0.739 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@@H](O)C1 1565506142 WOKDSEBHPKGOLQ-JSGCOSHPSA-N 362.455 0.550 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@@H]1O 1615737846 SMPKFJSQCKHKSJ-DOMZBBRYSA-N 370.446 0.568 0 50 FCAA Cn1cncc1C(=O)N1CC[C@]2(C1)Cn1c(nnc1-c1cnccn1)CO2 1857687163 PDVKTJBFOPOWOU-KRWDZBQOSA-N 366.385 0.284 0 50 FCAA COCCn1nnc([C@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 1875250561 MBTAJNLCAUVUPK-OAHLLOKOSA-N 351.382 0.911 0 50 FCAA C=CC(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)CC1 1875370081 BAQORXXTEXKBSC-AWEZNQCLSA-N 351.472 0.839 0 50 FCAA C=CC(=O)N(CC)CC(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1875370194 FOQWNNHCLRYSSZ-GFCCVEGCSA-N 355.435 0.507 0 50 FCAA Cc1nc(N2C[C@]34CCC[C@@]3(CN(C(=O)C3(CO)CC3)C4)C2)[nH]c(=N)n1 1875408285 SFEFFCALJGVHIP-QZTJIDSGSA-N 358.446 0.184 0 50 FCAA O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@H]1O 2100477261 XNEOWKUMKWZYKS-NUEKZKHPSA-N 374.445 0.001 0 50 FCAA C[C@@H](NC(=O)N[C@H]1CCNC1=O)c1cc(F)ccc1N1CCOCC1 2325756825 RUASNAACJKGDCW-RISCZKNCSA-N 350.394 0.911 0 50 FCAA Cc1c[nH]nc1C(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc3n(n2)CCOC3)C1 2325824359 ZPDOUSLGJGHCNS-QWHCGFSZSA-N 372.429 0.916 0 50 FCAA CCOC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 20472315 ZGMQHWFXQGKEOU-UHFFFAOYSA-N 363.414 0.640 0 50 FCAA CC(C)NC(=O)CN1CCN(c2nccc(N3CCC(O)CC3)n2)CC1 65406144 AMWDJMSDQBCPKV-UHFFFAOYSA-N 362.478 0.084 0 50 FCAA CCCS(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 67622167 VKPMTVYEBIVTIA-UHFFFAOYSA-N 350.448 0.833 0 50 FCAA Cc1cccn2c(CC(=O)N3CCNC[C@H]3C(=O)N3CCCC3)cnc12 72165822 PYURTJRVPXUENW-INIZCTEOSA-N 355.442 0.608 0 50 FCAA COCCNc1nc(C)nc2c1CCN(C(=O)c1c[nH]c(=O)cn1)CC2 72420296 DYOWKEIQIVLPQX-UHFFFAOYSA-N 358.402 0.168 0 50 FCAA CCCCCN(C)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77299102 HNPKXQBSEYDEAN-UONOGXRCSA-N 353.492 0.678 0 50 FCAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCNC(=O)CC2)[C@H]3C1=O 77339164 IFRJNXKICKTRGY-YBKUAAOGSA-N 361.442 0.163 0 50 FCAA Cc1cc(N2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)cc(C)n1 77376074 UFYZZFQZGRRNOU-UHFFFAOYSA-N 357.414 0.287 0 50 FCAA Cc1cc(C(=O)N2CCC(c3nnc(CN(C)CCO)n3C)CC2)no1 77407791 QDGSNXHYLFCWAF-UHFFFAOYSA-N 362.434 0.555 0 50 FCAA COc1ncccc1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)N1CCOCC1 82087189 PDFPDWILFAFNNQ-STQMWFEESA-N 366.393 0.685 0 50 FCAA Cc1nnnn1CCCN1CCn2nc(CCC(=O)NC3CC3)cc2C1 82136825 WLXHECGADGLOLQ-UHFFFAOYSA-N 358.450 0.295 0 50 FCAA O=C(CCc1cc2n(n1)CCCN(C[C@H]1CCOC1)C2)N1CCOCC1 91425511 XUCDTAHUYKKNRV-MRXNPFEDSA-N 362.474 0.917 0 50 FCAA CN1CCN(c2ccc(C(=O)N3CC[C@@]4(O)CCNC[C@H]4C3)cc2)CC1 95378905 OOGJWESZFAZMIA-PXNSSMCTSA-N 358.486 0.625 0 50 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CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2cccc3ncnn23)ncn1 1875398506 TVTRPPURAAQVJY-HUUCEWRRSA-N 368.445 0.315 0 50 FCAA Cn1c(=O)oc2cc(S(=O)(=O)N3CC(O)(c4cccnc4)C3)ccc21 2325849352 MRZHIXZNTCBFMW-UHFFFAOYSA-N 361.379 0.419 0 50 FCAA C[C@@H](C(=O)N1CCc2nc(C3CCOCC3)nn2CC1)N1CCCC1=O 2356137484 ZYKSYBYQRZLKAY-ZDUSSCGKSA-N 361.446 0.568 0 50 FCAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 1530583 BOEGTKLJZSQCCD-ZETOZRRWSA-N 363.395 0.151 0 50 FCAA biogenic,world CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18285882 FMNDGZLUOKVKKK-CHWSQXEVSA-N 352.412 0.951 0 50 FCAA biogenic COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCN3CCOCC3)C2)c1 19894449 JFVXFEMLSSPEGC-KRWDZBQOSA-N 363.414 0.645 0 50 FCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1S(=O)(=O)c1ccc(NC(C)=O)cc1 65432196 PGBZWTKRCVRRLZ-HIFRSBDPSA-N 369.443 0.511 0 50 FCAA NCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71747289 ISEIUCLXPPWOSP-MRXNPFEDSA-N 359.474 0.360 0 50 FCAA Cc1[nH]nc(CCC(=O)N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1C 77459085 IVTPTAWXBRKOPZ-NVXWUHKLSA-N 371.441 0.746 0 50 FCAA O=C1OCCN1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91493963 BHFOVVXFKGCNAL-DZGCQCFKSA-N 358.398 0.597 0 50 FCAA O=C(CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2)N1CCOCC1 91745396 HDTZMWARWXDHQI-NVXWUHKLSA-N 358.442 0.477 0 50 FCAA O=C(CCn1nnnc1CN1CCOCC1)NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 211072440 XZOOAXXQMANEFC-JYJNAYRXSA-N 372.473 0.614 0 50 FCAA O=C(CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1)N1CCNCC1 216253538 UEHKSGSRUFPBPN-MSOLQXFVSA-N 356.470 0.541 0 50 FCAA COc1ccccc1N1C[C@@H](C(=O)NCCc2noc(CO)n2)CC1=O 221270973 PRHDJFBBKQMBDH-NSHDSACASA-N 360.370 0.282 0 50 FCAA O=C(Cn1ccccc1=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 222016077 CBLUZHISUYECMD-WBVHZDCISA-N 366.421 0.893 0 50 FCAA O=S(=O)(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)N1CCCC1 222922914 RGOUNBGVQFXZDY-HZPDHXFCSA-N 356.444 0.645 0 50 FCAA COC[C@@H](C)OC[C@H](O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 241515499 OFVJVHJLVWZFQP-RHSMWYFYSA-N 351.447 0.320 0 50 FCAA CC[C@@H](O)CN1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 269282299 RGOSPTKBOSAVHT-DNVCBOLYSA-N 374.441 0.270 0 50 FCAA CC(C)Oc1ccc(N2C[C@@H](C(=O)NCCn3cnnn3)CC2=O)cc1 299768308 LZRQOMHGZUHVLO-ZDUSSCGKSA-N 358.402 0.630 0 50 FCAA Cc1nnc(SCC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)s1 299779497 UIHHBCOJPAYUNY-WDEREUQCSA-N 352.445 0.903 0 50 FCAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1nc(O)c2ccccc2n1 299794848 JWCRPWVNDYXAPT-AWEZNQCLSA-N 357.414 0.551 0 50 FCAA CCOc1ccc(-n2ncc(C(=O)N3CCOC[C@@H]3C(=O)O)c2C)nn1 408513378 VDAVTSCYUCUAFN-GFCCVEGCSA-N 361.358 0.295 0 50 FCAA O=C(NCc1nccs1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 426526308 UXBSXQSDWHVEIM-UHFFFAOYSA-N 373.504 0.701 0 50 FCAA Cn1cnnc1C[C@]1(O)CCCN(S(=O)(=O)c2ccccc2F)C1 886027391 WBJVZDBBQVHXDB-OAHLLOKOSA-N 354.407 0.713 0 50 FCAA O=C(O)[C@@H]1CCCN(C(=O)COc2nsnc2N2CCOCC2)C1 914685222 CJQPEUCAIUWIBZ-SNVBAGLBSA-N 356.404 0.077 0 50 FCAA CO[C@@H]1C[C@H](CNC(=O)Cc2c(C)nn(C)c2C)N(c2ccncn2)C1 952888069 YPOFHNHXMPKSAE-HUUCEWRRSA-N 358.446 0.780 0 50 FCAA O=C(N[C@H]1CCCCNC1)N1CCc2nnc(N3CCCOCC3)cc2C1 952890547 CKHBLLSTBASWBZ-INIZCTEOSA-N 374.489 0.913 0 50 FCAA Cc1c(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)cnn1C 1073337987 BATGQAZULBQKMF-OALUTQOASA-N 370.501 0.881 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)C1 1506402775 PFQNNRMIWSHRAJ-INIZCTEOSA-N 369.487 0.967 0 50 FCAA O=C1CCc2cn(nn2)CCCOc2ccc(cc2)C(=O)NCCCN1 1704324863 WMDAYQGAVFZABT-UHFFFAOYSA-N 357.414 0.930 0 50 FCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)[C@H]2C[C@H](O)C2)cn1 1857713959 ZEGBUJPOJHYPCL-DKIMLUQUSA-N 362.474 0.945 0 50 FCAA CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1ncn2C[C@@H](O)CO 1875269138 ILVAHRWFLVNCKA-CYBMUJFWSA-N 371.397 0.587 0 50 FCAA C[C@H]1CN(C(=O)[C@H]2C[C@H](N(C)C)C2)C[C@H]1NC(=O)c1cnn2c1CCC2 1875408068 NQVXSEYHAIVBIB-RZLSGREXSA-N 359.474 0.746 0 50 FCAA C[C@H](NC(=O)[C@@H](N)CN1CCCC1=O)c1cccc(N2CCCC2=O)c1 2325814085 RPUUMZODAUPEOK-BBRMVZONSA-N 358.442 0.940 0 50 FCAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccc(F)cc1 49762694 XCYZOFLKXOWSJY-HUUCEWRRSA-N 362.405 0.779 0 50 FCAA CCn1c(C2CCN(C(=O)c3cnn4cc(C)cnc34)CC2)nn(C)c1=O 67935031 BWJGGKOONVCNSE-UHFFFAOYSA-N 369.429 0.973 0 50 FCAA CCn1c(-c2ccccc2)nn(CC(=O)NCc2nnc3n2CCC3)c1=O 77385765 UEYWTTXAQZLBJT-UHFFFAOYSA-N 367.413 0.586 0 50 FCAA CC1(C(=O)N2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 77516966 MNFKYANNAZGGHZ-KGLIPLIRSA-N 363.439 0.332 0 50 FCAA CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)CCn1cnnn1)CC2 91468450 UGWRBGKSUBSWLS-UHFFFAOYSA-N 372.477 0.818 0 50 FCAA COc1cccc([C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C(=O)O)c1 91586717 SQSFWQFBUORTCH-UONOGXRCSA-N 370.427 0.261 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(CC)n[nH]2)CN1Cc1ccncc1 91997349 FFAYPKHWDDMUOO-RDJZCZTQSA-N 370.457 0.876 0 50 FCAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 95512635 UZKVKNOFRKJBSL-CYBMUJFWSA-N 358.464 0.175 0 50 FCAA Cc1cc2c(SCc3nc(CC(N)=O)nn3CCO)ncnc2s1 96135795 GKLAONBHTOBAEK-UHFFFAOYSA-N 364.456 0.904 0 50 FCAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)Cc2ccccc2)c1 97301321 XXRHJBFDSXPRRJ-LBPRGKRZSA-N 352.387 0.807 0 50 FCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 152783728 LZCMAHRRRVKXDY-KRWDZBQOSA-N 372.469 0.110 0 50 FCAA C[C@@H](Oc1ccccc1CN1CCN(c2cnn(C)c(=O)c2)CC1)C(=O)O 215100771 PDGPUPQCOMUVTB-CQSZACIVSA-N 372.425 0.954 0 50 FCAA COc1cncc([C@H](NC(=O)CCN(C)S(C)(=O)=O)[C@H]2C[C@H](O)C2)c1 219755591 FGFONQCSTKOJEJ-PVXIVEMSSA-N 371.459 0.300 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccc3ncsc3c2)[C@H]2CCO[C@H]21 222507935 JXNBKRVVBXKPDJ-GJQVQUKXSA-N 367.452 0.731 0 50 FCAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)nn2)CC1 244584332 CXLKKHXHIQXFGB-XHSDSOJGSA-N 362.478 0.657 0 50 FCAA NC(=O)C1CCN(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1 244866620 VZFYSZMDEAXLHT-CQSZACIVSA-N 374.470 0.523 0 50 FCAA CNC(=O)c1ccn([C@@H]2CCCN(CC(=O)NCc3cccnc3)C2)n1 275905599 IUYRWOGJRDLZOX-OAHLLOKOSA-N 356.430 0.591 0 50 FCAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(O)c2c(C)ccc(C)c2n1 299756284 KVGMAQSSVNTCAK-CQSZACIVSA-N 356.426 0.994 0 50 FCAA CCc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)o1 299784079 WLNUIEAGNZSUTE-CYBMUJFWSA-N 361.402 0.540 0 50 FCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N2CC[C@H](C(=O)O)C2)ccc1OC 328590426 MZYNLLRSHLLFAP-FUEXJSSKSA-N 368.411 0.550 0 50 FCAA C[C@H]1CN(C(=O)CSc2nnc(O)n2C[C@@H]2CCCO2)C[C@@H](C)O1 328848328 RATPMWSJLAZDKK-TUAOUCFPSA-N 356.448 0.891 0 50 FCAA CCn1cc([C@H]2C[S@@](=O)CCN2CC2(CS(C)(=O)=O)CC2)cn1 330190638 WJIGETDGAYLBPQ-PEBXRYMYSA-N 359.517 0.833 0 50 FCAA CNC(=O)c1ccn([C@H]2CCCN(C(=O)C3(O)CCSCC3)C2)n1 365211830 CUFVJHDMPNDAHA-LBPRGKRZSA-N 352.460 0.664 0 50 FCAA O=C(Cn1cccn1)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 376453391 GAJAEEGYHXQDPO-HNNXBMFYSA-N 358.446 0.845 0 50 FCAA COc1cc(-c2ccc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc2)nc(N)n1 426622915 JYDGKSCRMFDGOR-GJZGRUSLSA-N 357.414 0.481 0 50 FCAA CN(Cc1cc[nH]n1)C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 584903806 OEXAYVGGFPRXRR-UHFFFAOYSA-N 369.491 0.593 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2cncnc2C2CC2)[C@@H]1c1ccnn1C 886079122 LSQVJQLMKBCFSV-RDJZCZTQSA-N 356.430 0.889 0 50 FCAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1c[nH]c(C)cc1=O 888090471 BIAYAKVNWLTWQP-OAHLLOKOSA-N 355.394 0.762 0 50 FCAA COCC(=O)N1CC[C@H](NC(=O)c2ccc(CN3CCCC3)o2)[C@@H](O)C1 1565509677 ZJMXJFBZDXCRQO-GJZGRUSLSA-N 365.430 0.213 0 50 FCAA CN1CCC[C@]2(CO)CCN(c3ccc(CS(C)(=O)=O)cn3)C[C@@H]12 1704304550 GSHUYWVJUUFTDE-NVXWUHKLSA-N 353.488 0.909 0 50 FCAA C[C@@H]1CCN2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@]12CC[C@](CO)(CC(=O)O)O2 1857526189 XAPFPXADJZBJDV-UGIQPEPBSA-N 371.474 0.748 0 50 FCAA Cn1cc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(O)nc1=O 1875244258 OXIBXAAXNBJVHC-GDBMZVCRSA-N 370.409 0.384 0 50 FCAA COCCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N2CCOC[C@@H]2C1 2325849073 CRWHZMWOGPEGLQ-ZDUSSCGKSA-N 361.402 0.540 0 50 FCAA CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@@H]2[C@@H](NC(=O)c2c[nH]nc2C)C1 2325879475 WRQVVRRVFZCLEK-VTPLQMEGSA-N 362.434 0.132 0 50 FCAA Nc1nc(NCCO)cc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 65376382 ABQSQEQEDYCYND-UHFFFAOYSA-N 369.429 0.948 0 50 FCAA 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CO[C@@H]1COC[C@H]1S(=O)(=O)NC[C@H](c1ccccc1)c1nc[nH]n1 1875362829 VICOOMDOINCWAW-MGPQQGTHSA-N 352.416 0.270 0 50 FCAA CC1(C)O[C@]2(CCCN(S(=O)(=O)c3cnc4sccn34)C2)NC1=O 2325783087 XQVJCEPGROBUHE-AWEZNQCLSA-N 370.456 0.802 0 50 FCAA Cc1cc(N2CC[C@H](NC(=O)c3cnn4ccc(CN)cc34)C2)n(C)n1 2325788153 PGEUKNHLPXPWGN-AWEZNQCLSA-N 353.430 0.844 0 50 FCAA O=C(NCCN1CCNC1=O)c1cc2c(s1)CCOC21CCNCC1 2356159900 UYFGTYOSRRARNI-UHFFFAOYSA-N 364.471 0.655 0 50 FCAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc2ncccn2n1 923945 OXFARZFSCJGEPL-UHFFFAOYSA-N 352.354 0.849 0 50 FCAA COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 3015627 GKNMCMOKOVXIGM-UHFFFAOYSA-N 355.354 0.221 0 50 FCAA CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 6703453 CDVWRDMZMWTBEQ-CYBMUJFWSA-N 356.444 0.999 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 72152996 VRDDAIQGEZOQFZ-LBPRGKRZSA-N 362.430 0.354 0 50 FCAA Cc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c2cnn(C)c2n1 72161479 YJFNLSMMXLGWDJ-UHFFFAOYSA-N 357.462 0.982 0 50 FCAA 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CGSXHKBQYIRVEK-GXTWGEPZSA-N 366.443 0.279 0 50 FCAA NCCCCCCOc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1775962533 QPKPIBLEXSCVSO-ZDUSSCGKSA-N 373.409 0.986 0 50 FCAA in-vitro COc1ccccc1CCNS(=O)(=O)CC[C@@H]1CCS(=O)(=O)C1 1857686475 YJGDDLBJDKQWTJ-ZDUSSCGKSA-N 361.485 0.982 0 50 FCAA O=S1(=O)CC[C@@H](CCS(=O)(=O)N2CCC(n3cnnc3)CC2)C1 1857689109 FFDWIOQSBNOMAL-LBPRGKRZSA-N 362.477 0.070 0 50 FCAA CNC(=O)NC[C@H]1COCCN1C[C@H](O)COc1cccc(Cl)c1 1875270020 KYDBCWAQCUHDBU-KBPBESRZSA-N 357.838 0.710 0 50 FCAA Cc1nc(-c2cccnc2)[nH]c1C(=O)NC1CN([C@@H]2CCCN(C)C2=O)C1 1875369183 YGLCTHPLYJDQNB-OAHLLOKOSA-N 368.441 0.815 0 50 FCAA CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(C(=O)COC)C1 2325789113 RGFQEHUBSNUDCQ-CABCVRRESA-N 368.478 0.666 0 50 FCAA O=C(C1=C(Cl)CCC1)N1C[C@@H]2CC[C@]2(CNC(=O)C2(O)COC2)C1 2325851425 ZLPPELXNPKZOSC-ZBEGNZNMSA-N 354.834 0.779 0 50 FCAA CCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccnc3O)cc2)cn1 2325852047 QVYKSVKEFVAYCB-UHFFFAOYSA-N 361.383 0.913 0 50 FCAA CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CC(=O)OC)c(=O)n(C)c3nc12 8706218 UOMDCUVPUUROGX-VIFPVBQESA-N 361.402 0.910 0 50 FCAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)CO)CC2)C1 67724552 BCEYJCFMPZLSPL-INIZCTEOSA-N 360.458 0.393 0 50 FCAA C/C=C/Cc1nnc(C(=O)N2CCO[C@H](Cc3nc(COC)no3)C2)o1 71757000 DHAOSVMJCUFDSG-PGLGOXFNSA-N 363.374 0.801 0 50 FCAA Cc1ccsc1S(=O)(=O)N1CCc2c(nc(N(C)C)[nH]c2=O)C1 71760121 BYXPCGGNXKARBP-UHFFFAOYSA-N 354.457 0.953 0 50 FCAA O=C(CCn1cnnn1)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 72144775 DQSMFFOLRVAFKJ-UHFFFAOYSA-N 351.370 0.398 0 50 FCAA Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cccc1C(N)=O 72441773 KKIRUDDZZYNUIZ-GFCCVEGCSA-N 368.459 0.551 0 50 FCAA Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H]1CC2(CCNCC2)CN1C 72454703 ZGGHZWCDXYZDNX-KRWDZBQOSA-N 363.506 0.432 0 50 FCAA CCc1cn[nH]c1C1CCN(C(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)CC1 77393730 HTLAGLCQSLEJRH-CQSZACIVSA-N 358.446 0.836 0 50 FCAA Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)N2CCOCC2)CC1 91426394 HZHHOYPTTJMRKF-UHFFFAOYSA-N 360.422 0.087 0 50 FCAA O=C(c1cn(-c2ccccc2)nn1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91663191 SIWSBJKYTKXFBJ-IBGZPJMESA-N 369.425 0.714 0 50 FCAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1cnn3c1CCCC3)CCN2C 92002903 INPJNSIDIDSFNC-LJQANCHMSA-N 359.474 0.988 0 50 FCAA COc1cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)ccn1 92064937 IPYFLUYYOPXLHU-YALNPMBYSA-N 363.458 0.880 0 50 FCAA CC(C)c1nc(N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)cc(=O)[nH]1 95373775 VIUOJTORGOPVMX-FZKQIMNGSA-N 363.462 0.838 0 50 FCAA CCCOC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1 96027460 SYUMHZBRYXRWEW-AWEZNQCLSA-N 370.475 0.858 0 50 FCAA Cc1ccc2[nH]c(CCCNC(=O)Cn3ccc(=O)[nH]c3=O)nc2c1C 222907880 YAFAOGQMJOWQPI-UHFFFAOYSA-N 355.398 0.779 0 50 FCAA O=C(COc1ccc2nncn2n1)N1CCCN(c2ncccn2)CC1 223911748 MCTSOYMABULXLW-UHFFFAOYSA-N 354.374 0.032 0 50 FCAA CN(C)C(=O)c1cc(NC(=O)NCCc2n[nH]c(=O)n2C)ccc1Cl 299763385 VEDAPEYCAAOTFB-UHFFFAOYSA-N 366.809 0.828 0 50 FCAA CCOc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)cn1 328631674 RGTKZFIXTPOAGE-UHFFFAOYSA-N 350.400 0.321 0 50 FCAA Cc1ccccc1-n1cc(CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)nn1 333812503 HAMIEVFAHVEOFT-DLBZAZTESA-N 362.455 0.964 0 50 FCAA O=C(CN1CC(F)(F)C[C@H]1CO)NCCOc1ccc2c(c1)OCO2 375252092 DCBVXUDVUYTARO-NSHDSACASA-N 358.341 0.612 0 50 FCAA NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(-c3cnc(N)cn3)cc2)C1 426503582 QJRCDRLQTPMRBL-OAHLLOKOSA-N 368.441 0.653 0 50 FCAA CC(C)Cc1nc(CNC(=O)N2CCN(CCn3cncn3)CC2)no1 534643556 GTBMLVLJWCAOFI-UHFFFAOYSA-N 362.438 0.387 0 50 FCAA COc1ccc(N2C[C@H](NC(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 584903361 MYULGIIJGMPBHN-GFCCVEGCSA-N 367.427 0.241 0 50 FCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccnc3c2ncn3C)cn1 818598926 YHQHWVRSDLCNJW-UONOGXRCSA-N 356.386 0.761 0 50 FCAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1CCCN(CC(N)=O)C1 952968106 NXDNPLAFPWHYFW-AWEZNQCLSA-N 357.414 0.892 0 50 FCAA Cn1cnnc1CN1CCN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1565507284 ZNGYRXUJKQQPPD-JKSUJKDBSA-N 361.471 0.299 0 50 FCAA Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)cc21 1616064409 NXNHJWPMALMPMS-QWRGUYRKSA-N 351.384 0.230 0 50 FCAA Cc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4cnc[nH]4)[C@H]4CC[C@]3(C2)O4)[nH]c1=N 1857730339 NCODKSJJYRSYBY-NMFBSDBYSA-N 369.429 0.334 0 50 FCAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@H](C)NC(=O)C1CCCC1 1875313031 LVKLZWIUCQZXAL-NSHDSACASA-N 369.443 0.980 0 50 FCAA O=C1N[C@H](C(=O)NCC2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)CO1 1875332943 RSFXJFBSYHHWKA-JTQLQIEISA-N 363.336 0.792 0 50 FCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cccc(C2(O)COC2)c1 2325805590 UUIMEWVXNNKPLI-KBRIMQKVSA-N 357.410 0.670 0 50 FCAA CN(C)c1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 19873822 XPUJKCBDJUXDKJ-UHFFFAOYSA-N 371.445 0.566 0 50 FCAA Cc1cccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 65364557 XRBNTYONPNPWQQ-OAHLLOKOSA-N 369.487 0.598 0 50 FCAA O=S(=O)(c1ccc(CN2CCC[C@](O)(CO)C2)cc1)N1CCOCC1 72132943 IJBHJTOJGCNBPI-QGZVFWFLSA-N 370.471 0.027 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)c2ccccc2[C@H]2CCNC2)CC1 72145926 JAOBVRYYRCQYSM-ZDUSSCGKSA-N 351.472 0.917 0 50 FCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NC1(CO)CCCC1 72162696 YEHAZJSMZJCQGO-MRXNPFEDSA-N 363.433 0.938 0 50 FCAA Cc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)n2nc(C)cc2n1 72480955 BXGIAVXEWJTJIE-UHFFFAOYSA-N 364.475 0.809 0 50 FCAA Cc1nn(CC(=O)NCCN2CCCC2)c(=O)n1-c1ccc2c(c1)OCO2 77287185 JZKYLYYXXWFWSM-UHFFFAOYSA-N 373.413 0.283 0 50 FCAA Cc1cn(CC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c(=O)[nH]c1=O 77341857 DIWFCKQIXBNHIX-OAHLLOKOSA-N 358.398 0.448 0 50 FCAA O=C(N[C@@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1O)c1cnccn1 77406314 GTNILMHHXUSRFD-CZUORRHYSA-N 368.397 0.825 0 50 FCAA CCCN1CCC[C@@]2(CCN(C(=O)c3ccnc(-n4cnnn4)c3)C2)C1=O 91594310 SAQVGRFJMPMFQT-SFHVURJKSA-N 369.429 0.922 0 50 FCAA O=C1CN(CC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)CCN1 91596026 CZLOMXRPWMKNMO-IBGZPJMESA-N 362.474 0.059 0 50 FCAA CCn1ccnc1C1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 91604213 IXUOQKNLIMTUJF-OAHLLOKOSA-N 368.503 0.728 0 50 FCAA COCCOCC(=O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91934513 ALOQQMMDYRMAIA-GOSISDBHSA-N 354.447 0.670 0 50 FCAA O=C(CN1C(=O)CNC1=O)N[C@H](C(=O)O)c1ccccc1C(F)(F)F 95358722 ORIBDMNYMUJZSE-NSHDSACASA-N 359.260 0.499 0 50 FCAA O=C1[C@H]2COCCN2C(=O)N1[C@@H](Cc1ccccc1)CN1CCOCC1 170592555 KYAHDSGFTLTISY-DLBZAZTESA-N 359.426 0.593 0 50 FCAA Cc1nn(CCCNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)c(C)c1C 219525724 GCNYKNQXUNPQFY-INIZCTEOSA-N 370.519 0.824 0 50 FCAA Cn1ccnc1N1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 284557909 JADBOROWYFDGFW-GDBMZVCRSA-N 358.446 0.970 0 50 FCAA COc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H]1CN(C)CCO1)C(C)C 299431589 MYMXITMLWWTHAZ-PBHICJAKSA-N 363.458 0.896 0 50 FCAA O=C(NCCc1cn2cccnc2n1)[C@@H](c1cccnc1)N1CCOCC1 299778882 RHFSLCGSVZNLLY-QGZVFWFLSA-N 366.425 0.857 0 50 FCAA CN1C[C@]2(CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)OC1=O 299780012 OQFWWXJENFAWHV-HNNXBMFYSA-N 368.415 0.783 0 50 FCAA Cc1n[nH]c(C)c1CCNC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 299788983 UVLRSDLPFHXMOK-OAHLLOKOSA-N 368.503 0.584 0 50 FCAA CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C 328775794 FIZBPJVXXQFBJT-AWEZNQCLSA-N 371.507 0.644 0 50 FCAA COCCCNC(=O)CN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 366632288 HZKBPLOJBJWYBN-AEFFLSMTSA-N 373.453 0.789 0 50 FCAA Cc1cc(C(F)(F)F)nc(CNC(=O)NCCNS(C)(=O)=O)n1 426383186 XTEYDTWICFGTIW-UHFFFAOYSA-N 355.342 0.152 0 50 FCAA CN1CCC(O)(C(=O)N2CCC[C@H](c3ccnn3CC(=O)O)C2)CC1 426537797 WJVGXUPQZXVOHM-ZDUSSCGKSA-N 350.419 0.130 0 50 FCAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCc2nc3ccc(F)cc3[nH]2)[nH]1 426574847 HSQURBCKHGCPNL-LLVKDONJSA-N 372.404 0.856 0 50 FCAA O=C(NCc1ccnc2ccccc12)N(CCO)[C@@H]1CCS(=O)(=O)C1 426666949 FQCWOLISEPIBHC-CQSZACIVSA-N 363.439 0.926 0 50 FCAA NC(=O)c1noc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)n1 584892863 ILXRDCSAGOTPON-GFCCVEGCSA-N 360.374 0.454 0 50 FCAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)c2cnn(C)c2)c1=O 741585011 JBIRMYMQIQDZFZ-LBPRGKRZSA-N 355.398 0.794 0 50 FCAA CN1CCN(C(=O)COc2c3c(cc4c2C(=O)N(C)CC4)OCO3)CC1 823788736 WAHWDFBNRFYZLJ-UHFFFAOYSA-N 361.398 0.196 0 50 FCAA biogenic O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1c[nH]nc1-n1cnnn1 828138406 PVJFBMVRSAVTHO-OAHLLOKOSA-N 366.429 0.995 0 50 FCAA CCn1ccnc1C(=O)N[C@H]1CCOC[C@H]1Nc1cc(N(C)C)ncn1 952889007 UYVFXKWOEGJZKW-QWHCGFSZSA-N 359.434 0.758 0 50 FCAA NC[C@@H]1CC(C(=O)N2CCC(c3nccc(-c4cncnc4)n3)CC2)=NO1 952895577 XBRJNEFDTJFZBT-AWEZNQCLSA-N 367.413 0.743 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N(C[C@H]2CCC(=O)N2)C(C)C)cs1 1506406012 DWZPJXGKCIACIP-SNVBAGLBSA-N 359.473 0.785 0 50 FCAA CC(C)[C@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1NS(=O)(=O)N(C)C 1565513837 NNSQKWVBTDIYBU-KGLIPLIRSA-N 358.439 0.713 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCn1cnc3ccccc3c1=O)C2 1704329032 RNHNPPCWLKIWLO-GJZGRUSLSA-N 356.426 0.576 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)C1CCN(C(=O)c3ccccn3)CC1)C2 1704332505 YPFDEOZIUUQEGI-RDJZCZTQSA-N 372.469 0.723 0 50 FCAA C[C@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1772701676 MFFSOTURNMQBRM-WCQYABFASA-N 363.439 0.955 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)CCS(C)(=O)=O)[C@H]1c1ccccc1 1857720322 OURBUEBGPMDOTE-RDJZCZTQSA-N 354.472 0.951 0 50 FCAA CCC[C@@]1(CO)CN(c2cc(C(=O)N3CCOCC3)ccn2)CC[C@@H]1O 1857723237 ZDNKUDFGWQNIHL-LPHOPBHVSA-N 363.458 0.904 0 50 FCAA Cc1cc(C)n(CCC(=O)N[C@H](C[C@@H]2CCS(=O)(=O)C2)C(=O)O)n1 1875359848 RHGDJFHAEDIKQF-QWHCGFSZSA-N 357.432 0.284 0 50 FCAA CN(Cc1nc(O)c2cnn(C)c2n1)C(=O)[C@H]1CNCc2ccccc21 2325775010 QVGPTIMIXMGQMB-ZDUSSCGKSA-N 352.398 0.914 0 50 FCAA O=C(CNCc1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 2172680 LFIRQNFWJRQKQK-KRWDZBQOSA-N 369.421 0.705 0 50 FCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C)CC2)c1 12301610 WYBRGIRQVVHGJO-QGZVFWFLSA-N 360.458 0.160 0 50 FCAA CCN1CC[C@@]2(CCN(c3nc4nonc4nc3N3CCOCC3)C2)C1 12570259 PZJXZPHZHGXMPI-QGZVFWFLSA-N 359.434 0.772 0 50 FCAA CN1CCN(c2cnn(CC(=O)N3CCc4ccccc4C3)c(=O)c2)CC1 20684556 PLWUWXVPGDMODU-UHFFFAOYSA-N 367.453 0.580 0 50 FCAA C[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(-n2cncn2)cc1 45652357 MZHMPLLGDOQYBQ-LLVKDONJSA-N 352.420 0.177 0 50 FCAA O=C1NCC(=O)N2CCN(C3CCN(CCc4ccccc4)CC3)C[C@H]12 65372907 DAMFQVOGRDLYCE-GOSISDBHSA-N 356.470 0.336 0 50 FCAA Cc1noc(C)c1C(=O)N1CCn2nc(C(=O)N3CCN(C)CC3)cc2C1 65508714 YNXIAABVWUNHCV-UHFFFAOYSA-N 372.429 0.532 0 50 FCAA CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccccc1C#N)C2 65527019 LWNPCAWPXLKOQS-UHFFFAOYSA-N 366.425 0.702 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)nn2)CN1 67649472 LKAGLHHVKVLCPQ-ZACQAIPSSA-N 370.457 0.161 0 50 FCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nccn3C)CC2)C1 67739800 OMUVHOFRJQLGOI-MRXNPFEDSA-N 363.506 0.859 0 50 FCAA COCC[C@]1(CO)CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 91535788 KCFLOTDCUAISRT-GOSISDBHSA-N 350.415 0.802 0 50 FCAA COCCc1noc([C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 91914509 RYGHDAQNXHZJNV-ZDUSSCGKSA-N 350.419 0.977 0 50 FCAA CCNc1ncc(CN2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cn1 95352003 MJQQUTFNBZKHLB-QZTJIDSGSA-N 363.506 0.653 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCCN3CCNC3=O)ccc21 95385022 DIHATEVTRVXHHG-UHFFFAOYSA-N 372.429 0.165 0 50 FCAA Cn1cccc1C(=O)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCCO)C1 213198467 MRQKWTCWLPCOHB-CABCVRRESA-N 361.442 0.820 0 50 FCAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1ccnn1CCO 222907958 HEBPWGQVLKEQGM-NVXWUHKLSA-N 361.398 0.334 0 50 FCAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1C(=O)O 262723041 WVXDSDIRCFLLJE-ZDUSSCGKSA-N 365.411 0.657 0 50 FCAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCN(CCc3ccccc3)CC1)CC2 299783052 QSQWPOBWRWZYRI-KRWDZBQOSA-N 369.469 0.531 0 50 FCAA CN1C(=O)CC[C@@H](NC(=O)Nc2nc3n(n2)CCCC3)[C@@H]1c1ccnn1C 333355802 CAYKUDQKMGJYES-IAQYHMDHSA-N 372.433 0.832 0 50 FCAA Cc1ccccc1-n1cc(CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)nn1 333812511 HAMIEVFAHVEOFT-IAGOWNOFSA-N 362.455 0.964 0 50 FCAA Cn1ccc([C@H]2NC(=O)N(Cc3ccnc(N4CCOCC4)c3)C2=O)n1 349136986 LSPOADRWPGACAA-OAHLLOKOSA-N 356.386 0.445 0 50 FCAA CN1C(=O)C[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@H]1c1ccnn1C 366421554 MUDAINPAKAEMCZ-BBRMVZONSA-N 366.385 0.554 0 50 FCAA Cc1nc(C(=O)N2CCn3c(nnc3-c3cccnc3)C2)c(=O)[nH]c1C 371298628 XWRZZIOJOKMGDH-UHFFFAOYSA-N 351.370 0.696 0 50 FCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2(CO)Cc3ccccc3C2)C1=O 373434684 INOXPNCSEPGWPP-GOSISDBHSA-N 357.410 0.353 0 50 FCAA O=S1(=O)CCCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 377757659 AHLSAEJXDAKGTO-CQSZACIVSA-N 357.428 0.413 0 50 FCAA CC(C)(O)C1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1 426387625 JUNOQIKWNKOLAQ-CYBMUJFWSA-N 350.463 1.372 0 50 FCAA Cn1ccnc1CN1CCN(C(=O)N[C@@H](C(=O)O)c2ccc(O)cc2)CC1 426693731 MJLHKRLTQXEJAB-MRXNPFEDSA-N 373.413 0.779 0 50 FCAA NC(=O)c1ncn([C@H]2CCCN(c3nccn4c(C5CC5)nnc34)C2)n1 431431046 GEHOPZKZLBMOBU-NSHDSACASA-N 353.390 0.534 0 50 FCAA CCCOCCN1CCN(S(=O)(=O)N2CCC[C@@H](COC)C2)CC1 1506398114 GQJPRSBUDZYTTC-MRXNPFEDSA-N 363.524 0.634 0 50 FCAA O=C(Cn1ncc2ccccc2c1=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529181979 SGKGHULMPGLVLD-SJLPKXTDSA-N 368.437 0.718 0 50 FCAA Cc1nc(CC(=O)N2CCCN(C(=O)CCn3cnnc3)CC2)cs1 1704299860 LYUIWAOBNJCBEZ-UHFFFAOYSA-N 362.459 0.737 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cnc2c(c1)CCCC2 1704341037 OXGIAGCOAHOGBY-GOEBONIOSA-N 367.471 0.597 0 50 FCAA O=C1CO[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CN1 1772812959 UBQFGEDHOMOWJJ-CYBMUJFWSA-N 364.345 0.985 0 50 FCAA COc1cccc(OC[C@@H](O)CNC(=O)c2cc3n(n2)CCN(C)C3=O)c1 1857675835 KCKSPTWJDGITAO-LBPRGKRZSA-N 374.397 0.147 0 50 FCAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc3n(n2)CCN(C)C3=O)C1 1857676362 RKEXELNZGJESNW-CYBMUJFWSA-N 361.446 0.689 0 50 FCAA O=C(NCc1cn2ccncc2n1)[C@H]1CC[C@H](NC2CCOCC2)[C@@H](O)C1 1857686904 HIUBRGQSBAVORL-JQFCIGGWSA-N 373.457 0.644 0 50 FCAA O=C(NCc1nc(O)n[nH]1)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857708417 SVHLHJBKWKPWJI-MRVPVSSYSA-N 358.383 0.789 0 50 FCAA CS(=O)(=O)c1ccc(N2CCC([C@@H](O)CN3CCOCC3)CC2)nc1 1857713328 VKRZZZOJTLRUCX-INIZCTEOSA-N 369.487 0.395 0 50 FCAA O=C(C(=O)N1CCC[C@]12CCOC2=O)N1CCC[C@@](O)(C(F)(F)F)C1 1875265910 ZMJSPIRYPIYFBZ-KGLIPLIRSA-N 364.320 0.210 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2COCCNC2=O)(c2ccccc2)CC1 1875386976 HZAPGJAVLDVQOW-MRXNPFEDSA-N 371.437 0.364 0 50 FCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2ncc3c(n2)CCC3)ncn1 1875398221 HPBHAAIRDDPIDL-HUUCEWRRSA-N 369.473 0.869 0 50 FCAA CN(c1ccc(C(=O)N2CCC(N3CC(O)C3)CC2)cc1)S(C)(=O)=O 2100540257 GHTVETBKUXECLK-UHFFFAOYSA-N 367.471 0.364 0 50 FCAA CSC[C@@H](NC(=O)N1CCC1)C(=O)N1CCN(C(=O)N2CCC2)CC1 2325793500 WZYVMGUFKVAXHI-CYBMUJFWSA-N 369.491 0.103 0 50 FCAA CCc1nccnc1C(=O)NC[C@@H]1N(C(=O)CNC(N)=O)CCC1(C)C 2325873878 XGJNJBGSBFUZKF-LBPRGKRZSA-N 362.434 0.064 0 50 FCAA O=C(Cn1nnc2ccccc2c1=O)N1CCN(c2ccccn2)CC1 2932937 VABOYDZXNJNPCY-UHFFFAOYSA-N 350.382 0.535 0 50 FCAA CCCNC(=S)N1C[C@]2(C)CN(C(=O)C(=O)OC)C[C@](C)(C1)C2=O 13556216 FDTRTJWWKDMALN-IYBDPMFKSA-N 355.460 0.183 0 50 FCAA Cc1ccc(CN2CCN(C(=O)Cn3nc(O)ccc3=O)CC2=O)cc1 67676747 HMBNIFJCJAHRIE-UHFFFAOYSA-N 356.382 0.128 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cccc(OC)c1 67692243 SZUHSUTVBCATNN-WFASDCNBSA-N 355.460 0.654 0 50 FCAA Cc1ccnc(NCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)c1 72152414 ZUAKDZYKPPODEX-MRXNPFEDSA-N 371.441 0.902 0 50 FCAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)COCC(N)=O)C2)CC1 72164131 GYZORBGRWBYHQO-KRWDZBQOSA-N 374.485 0.610 0 50 FCAA COc1ccccc1CNC(=O)CN1CCC[C@](O)(CNC(C)=O)CC1 72171363 OSYAOAQNPBNTLL-LJQANCHMSA-N 363.458 0.665 0 50 FCAA CCCCN1C(=O)CC[C@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@H]21 72407158 LTIGLLGTWMEXTA-UONOGXRCSA-N 359.492 0.565 0 50 FCAA Cc1nc2c(c(NCCc3nncn3C)n1)CCN(C(=O)N(C)C)CC2 72478089 QSSXCTYKMLATHP-UHFFFAOYSA-N 358.450 0.650 0 50 FCAA Cn1cc(C(=O)N2CCOC[C@@H]2CC(=O)NCCc2ccc(O)cc2)cn1 72479149 TVZJXMIDDRRVJT-INIZCTEOSA-N 372.425 0.716 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccs2)[C@@H]3C1=O 77375181 DYJJAEADKSWMOQ-DPYKFYPSSA-N 363.439 0.530 0 50 FCAA COCCN(C)C(=O)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1 91585616 IFYBZZTZTFQHAQ-UHFFFAOYSA-N 352.416 0.607 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(c2ncccc2C(N)=O)C1 91943487 VZDZTXSKCMCWDG-CYBMUJFWSA-N 366.429 0.938 0 50 FCAA COc1cccc2c1OC[C@H](CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2 95362625 KFIKUHZQCZLWBH-NSHDSACASA-N 359.382 0.290 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccncc1F)C2 95370602 FYCOCRGURCVSFD-NWDGAFQWSA-N 356.423 0.564 0 50 FCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccccc1OCCO)CC2 95374172 PATYLVCDVTYDMO-HNNXBMFYSA-N 362.426 0.955 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccncc2)CN1C(=O)COC 96136326 UXRXGLWABLLHQT-CABCVRRESA-N 362.430 0.296 0 50 FCAA Cc1nc([C@H]2CCS(=O)(=O)C2)n(-c2cc(S(N)(=O)=O)ccc2F)n1 96180457 QIDKPFMVWOAMTI-VIFPVBQESA-N 374.419 0.264 0 50 FCAA CN1CCCN(CC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)CC1 219797852 GPGKQLAHBPRHAA-QZTJIDSGSA-N 362.474 0.509 0 50 FCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220088456 UKDZVSAUTPFBJU-CHWSQXEVSA-N 352.416 0.638 0 50 FCAA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCOC2=O)C3)cc1 223157854 WYGPIKMORZGIOR-UHFFFAOYSA-N 369.381 0.513 0 50 FCAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC(=O)c2ccc(CO)o2)C1 244594223 DIQJSDLUXYGREW-HAQNSBGRSA-N 356.386 0.821 0 50 FCAA Cc1[nH]c2c(c1C(=O)N1CCC3(CC1)N=C(N(C)C)NC3=O)C(=O)CCC2 244707988 KLIZDYWEKGSEDH-UHFFFAOYSA-N 371.441 0.864 0 50 FCAA COC(=O)CC[C@]1(C(=O)OC)N[C@@H](c2ccoc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 247816722 GFEUYZNQVHYAJN-MRHIQRDNSA-N 364.354 0.020 0 50 FCAA CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1 263073520 PISGVQYVWHWVLB-GFCCVEGCSA-N 372.443 0.999 0 50 FCAA Cc1nc2ccc(C(=O)N3CCN(CCS(N)(=O)=O)CC3)cc2o1 280603913 OUBOJOXAHWALOW-UHFFFAOYSA-N 352.416 0.183 0 50 FCAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299755418 CHZCTNAUYVXOOL-JKSUJKDBSA-N 351.370 0.845 0 50 FCAA Cc1nc(O)nc(O)c1CC(=O)N1CCN(Cc2cccc(O)c2)CC1 299763540 OMQQNNFULHQMQN-UHFFFAOYSA-N 358.398 0.789 0 50 FCAA O=C(CN1CCN(c2ccc3nccnc3n2)CC1)Nc1nncs1 302045259 UCIGBRHJZAZLFW-UHFFFAOYSA-N 356.415 0.637 0 50 FCAA Cc1nc(CCC(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n[nH]1 426511875 ZJKVAHVUPPKFHL-LOUJCGABSA-N 350.419 0.061 0 50 FCAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 494768070 NYAZJTAOXIRREF-ZDUSSCGKSA-N 359.430 0.589 0 50 FCAA NC(=O)c1noc(CNC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)n1 670440810 DEWQBOKIQNMDIQ-SNVBAGLBSA-N 358.358 0.368 0 50 FCAA Cc1nn(-c2ccccc2)cc1C(=O)OCc1cc(=O)n(C)c(=O)n1C 726677984 RTRFAUGGXZCRBR-UHFFFAOYSA-N 354.366 0.935 0 50 FCAA CN(C)Cc1cc(O[C@@H]2CCN(C[C@H](O)CN3CCCC3=O)C2)ccn1 886096426 GZQCJADVBPUXFP-FUHWJXTLSA-N 362.474 0.580 0 50 FCAA O=C(NCc1csc(-c2cnccn2)n1)NC[C@@H]1CCS(=O)(=O)C1 952872321 OUFUDQMKTMGMGQ-JTQLQIEISA-N 367.456 0.834 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCN(C3CCOCC3)CC2)CCC1=O 952987370 KLZYQQXOLATFLM-HNNXBMFYSA-N 353.463 0.195 0 50 FCAA Cc1cc(C[C@@H]2CN(c3cc(N4CCC(O)CC4)ncn3)C[C@@H]2O)n[nH]1 1704311944 GJSLTBQFIHZMOF-CJNGLKHVSA-N 358.446 0.509 0 50 FCAA Cc1nccn1CC(=O)N1CCCN(C(=O)CCc2ccnn2C)CC1 1704345481 ZKTCXQLOGODQEK-UHFFFAOYSA-N 358.446 0.619 0 50 FCAA COc1cccc2ccc(N3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)nc12 1704351915 UBUZFHLJIPBGSW-KBPBESRZSA-N 365.455 0.932 0 50 FCAA Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCc3ccccn3)CC[C@H]2O)no1 1875244586 OXTLNXVFAULHHE-YSVLISHTSA-N 372.425 0.996 0 50 FCAA CN(C)S(=O)(=O)C1(CNS(=O)(=O)c2ccc3cccnc3c2)CC1 1875321546 MODPLPNSAWWRIX-UHFFFAOYSA-N 369.468 0.937 0 50 FCAA Cn1cc(COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cn1 1875326882 QBJIXFDKKTUJQN-AWEZNQCLSA-N 368.349 0.400 0 50 FCAA Cc1ccc(F)c(CN2CCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]3C2)c1 14743109 ZGEIQWPTADRKEZ-DLBZAZTESA-N 362.449 0.774 0 50 FCAA COC(=O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)[C@@H](C)C1=O 65370622 HZQAPLCAZOJWLR-ZDUSSCGKSA-N 368.393 0.990 0 50 FCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1NCc1ccccn1 67587143 KFYMFWPHOQNVEE-GUYCJALGSA-N 353.426 0.982 0 50 FCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cnn(C)c3)CC2)C1 67974877 WUAUPIKPLBHXHF-QGZVFWFLSA-N 363.506 0.859 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NC1(CO)CCCC1 72128828 CTQDCEIDNYTQLR-KRWDZBQOSA-N 359.470 0.841 0 50 FCAA Cc1sc2nc(CCNC(=O)c3cn(CCN)nn3)[nH]c(=O)c2c1C 77439069 BMTNJEKKTIXUMY-UHFFFAOYSA-N 361.431 0.124 0 50 FCAA O=C(N[C@@H]1CCN(c2nnnn2-c2ccccc2)C[C@H]1O)c1ccccn1 77504182 VQEABTCKLFNMFW-GDBMZVCRSA-N 365.397 0.427 0 50 FCAA COC[C@H]1CCCN1S(=O)(=O)N1CCC2(CCC(=O)N(C)C2)CC1 91451918 AOPQGTCLGIJTNO-CQSZACIVSA-N 359.492 0.676 0 50 FCAA N[C@@H](CCC(=O)O)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1 91595768 DWLMKEPYWHWPIW-AWEZNQCLSA-N 351.447 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374.445 0.947 0 50 FCAA O=C(CCNC(=O)c1cnc(N2CCOCC2)nc1)Nc1nccs1 97546583 DGFALGPXIDCTJO-UHFFFAOYSA-N 362.415 0.528 0 50 FCAA NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)c3cncnc3N)c2)C1 192348222 LZTZGYONCXBBQQ-OAHLLOKOSA-N 368.441 0.686 0 50 FCAA Cc1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)cn1 219441899 GNILKHOFCYHFJO-HZPDHXFCSA-N 356.382 0.850 0 50 FCAA COc1cc2c(cc1CNC(=O)CCn1ccc(=O)[nH]c1=O)OCCO2 219926409 PBTVFAADVYVXAM-UHFFFAOYSA-N 361.354 0.023 0 50 FCAA Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@H](c4nnc(CO)n4C)C3)cc2n1 223515796 RXJRZCJNWBADOT-TXEJJXNPSA-N 355.402 0.643 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cn3ccsc3n1)C2 223615014 IZMMLMKKANIQLZ-CQSZACIVSA-N 360.443 0.843 0 50 FCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O 241930322 UHQRLFPKGHQKEN-MBJXGIAVSA-N 366.197 0.316 0 50 FCAA NC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CCCCC1 262607198 SYPKMCADICRSIG-HNNXBMFYSA-N 367.471 0.583 0 50 FCAA CN1CC(=O)N2C[C@@H](NC(=O)Nc3cccc(-c4cnc[nH]4)c3)C[C@H]2C1=O 299800173 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COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCO)c(C)c1C 72146372 RYEXQWWLSNTBNT-INIZCTEOSA-N 363.458 0.453 0 50 FCAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1ccccc1-n1cncn1 72475524 GLABUUSWFCELMT-QGZVFWFLSA-N 354.458 0.957 0 50 FCAA CN1CCCN(CC(=O)N2CCc3ncnc(NC4CC4)c3CC2)CC1 72480131 LQRAVYCNSROOLZ-UHFFFAOYSA-N 358.490 0.616 0 50 FCAA CCOCC(=O)N1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77354108 YETDASQPCLQPFA-UHFFFAOYSA-N 365.478 0.514 0 50 FCAA CCCCc1nn(CC(=O)N2CCc3nc[nH]c(=O)c3CC2)c(=O)n1CC 77425131 BQFROVIVSDRKMU-UHFFFAOYSA-N 374.445 0.118 0 50 FCAA COc1cc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccn1 77488315 CSQHDFRVKBFLRY-CABCVRRESA-N 367.471 0.670 0 50 FCAA Cc1cc(F)ccc1CN1CCN(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]21 77542027 ZEIWFGHTNIEVCY-LSDHHAIUSA-N 356.419 0.502 0 50 FCAA NC(=O)C1CCN(CC(=O)NCc2cnn(-c3cccc(F)c3)c2)CC1 91526862 COVCMJDQFYKLDA-UHFFFAOYSA-N 359.405 0.825 0 50 FCAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CC[C@@H](N)C3)c2)CC1 95526436 ZFWWKSCHQYBIIX-CQSZACIVSA-N 367.471 0.663 0 50 FCAA CCc1nc(-c2ccnc(-n3cnnc3)c2)n([C@@H]2CCS(=O)(=O)C2)n1 96162727 CTCPOIAUMFGQAW-GFCCVEGCSA-N 359.415 0.843 0 50 FCAA CCn1nc(Cc2ccc(OC)cc2)nc1CCn1ccc(=O)[nH]c1=O 96162949 YETQKPFCYRUUPN-UHFFFAOYSA-N 355.398 0.990 0 50 FCAA CN1C[C@@H](NC(=O)c2cc3ncccn3n2)c2sccc2S1(=O)=O 97757784 TXAZIOUOJXIIKH-SNVBAGLBSA-N 363.424 0.896 0 50 FCAA Cc1[nH]nc(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C 97797361 LGWFQCDGTNXMDB-UHFFFAOYSA-N 350.444 0.965 0 50 FCAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCN(S(N)(=O)=O)CC2)c1C 221433011 FUAKPUPYOCJIFH-SNVBAGLBSA-N 371.463 0.001 0 50 FCAA O=C(O)C[C@H]1C(=O)NCCN1Cc1cnc(NCc2ccccc2)nc1 244874518 XCTXKFZMFUVDRX-HNNXBMFYSA-N 355.398 0.864 0 50 FCAA CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 262449904 QTVYNQJVBLHLGU-GFCCVEGCSA-N 370.427 0.609 0 50 FCAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 299741677 ACWSGZFWUMMSNT-ZANVPECISA-N 354.309 0.630 0 50 FCAA CCOc1ccccc1N1C[C@@H](C(=O)N2CCO[C@@H](C(=O)O)C2)CC1=O 299746910 BPGVOBOZIRRJIV-SWLSCSKDSA-N 362.382 0.750 0 50 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355.822 0.923 0 50 FCAA COc1c2c(c(S(=O)(=O)NCC(C)C)c3c1C(=O)N(C)CC3)OCO2 218051040 GVHFGMQLTMLFFW-UHFFFAOYSA-N 370.427 0.986 0 50 FCAA biogenic NC(=O)c1csc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)n1 72410985 FRUOZNFIHBXAED-WCQYABFASA-N 352.460 0.832 0 50 FCAA O=c1[nH]cc(S(=O)(=O)N[C@H]2CC[C@H]2NC2CCCCCC2)c(=O)[nH]1 72463543 WLPGUMQRSFFEQZ-NEPJUHHUSA-N 356.448 0.185 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCCN(C2Cc3ccccc3C2)CC1 72426384 NJNWEIBFKLZPPZ-UHFFFAOYSA-N 368.437 0.238 0 50 FCAA CC[C@@]1(O)C(=O)N(c2cccc(C(=O)N(C)[C@H]3COC[C@@H]3O)c2)N=C1C 223175226 ISFJOIZMNGNLHY-MPGHIAIKSA-N 361.398 0.382 0 50 FCAA CN1CCN(C(=O)c2cccn2C)C[C@]12CCC(=O)N(CC(=O)O)CC2 95378779 RUWQAEUCZCDYFW-GOSISDBHSA-N 362.430 0.249 0 50 FCAA O=C(Cn1ncc2ccccc2c1=O)N1CCCO[C@@H](Cn2cccn2)C1 91974061 XLSWTLWGQZTQJQ-MRXNPFEDSA-N 367.409 0.911 0 50 FCAA O=C(NCc1cccnc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 91586153 LJTGJKAKGCECAF-KRWDZBQOSA-N 360.458 0.659 0 50 FCAA CS(=O)(=O)NCCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244716291 LMHBQZGURHIXGH-VBQJREDUSA-N 368.455 0.489 0 50 FCAA CCN1CCNC(=O)[C@@H]1CC(=O)NC1CCN(Cc2ccncc2)CC1 244884079 YEVPCJIRWOBPJQ-KRWDZBQOSA-N 359.474 0.373 0 50 FCAA CS(=O)(=O)CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 277476743 NCZYTSBHPQXMKZ-INIZCTEOSA-N 354.472 0.828 0 50 FCAA Cc1nc(N)ncc1C(=O)N(C)CCNc1cc([C@H]2CCOC2)ncn1 299795154 JWQUBCJLEVPWRM-LBPRGKRZSA-N 357.418 0.845 0 50 FCAA COCCNC(=O)c1ccc(NC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(C)c1 299767254 JGLZKNMQVQEFFC-CYBMUJFWSA-N 367.427 0.803 0 50 FCAA CN(C)C(=O)Cc1ccccc1NC(=O)N1CCN([C@H]2CCNC2)CC1 299799256 QRYYKBWLDRTDKX-INIZCTEOSA-N 359.474 0.829 0 50 FCAA COc1ccc(NC(=O)CCN2CCN(S(C)(=O)=O)CC2)c(OC)c1 299774031 FAXGWRPWHYNOON-UHFFFAOYSA-N 371.459 0.610 0 50 FCAA Cc1nc(CCNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)sc1C 299771888 ZPAJTVCXGVQVJL-ZDUSSCGKSA-N 359.517 0.928 0 50 FCAA Cn1c(C(F)F)nc2cc(C(=O)N3CCN(S(N)(=O)=O)CC3)ccc21 409710332 GEJHOOVJVQAERP-UHFFFAOYSA-N 373.385 0.472 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCOc1ccccc1 1704298604 IXRUJJQQKAUQCA-ZFWWWQNUSA-N 356.444 0.478 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cnc2ccccc2c1 1704302727 RTWDALRXZBSWCI-HOCLYGCPSA-N 363.439 0.871 0 50 FCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCc2cccnc2)C1)[C@H]1CCCO1 1857684609 VAGOTWIJTIUHIV-SQGPQFPESA-N 372.469 0.990 0 50 FCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(S(C)(=O)=O)C(C)(C)C3)n[nH]c21 1875396367 DETKJHUYXAFVSA-MNOVXSKESA-N 370.475 0.928 0 50 FCAA Cn1cc(C(=O)NCCCn2cc(-c3ccc(C(=O)O)cn3)nn2)cn1 1875326250 DWKOCAPBULTBNY-UHFFFAOYSA-N 355.358 0.592 0 50 FCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(CC(F)(F)CO)CC3)n[nH]c21 1875395268 UTATXTNMMJULAC-MNOVXSKESA-N 358.389 0.817 0 50 FCAA CO[C@@H]1CN(C)[C@](C)(C(=O)N[C@H]2CCN(c3ccn4nccc4n3)C2)C1 1875405249 BEVXNDGGONIHOU-DEYYWGMASA-N 358.446 0.533 0 50 FCAA NC(=O)c1cccc(OCCC(=O)N[C@H]2CCC[C@@H]2c2nc(=O)o[nH]2)c1 2325849823 BIBFVQHSTJSGIU-STQMWFEESA-N 360.370 0.683 0 50 FCAA C[C@@H](OC(=O)C1CCC(OC(F)(F)F)CC1)[C@@H]1NC(=O)CNC1=O 2325867295 QMGGOPHQPIYCNO-BBRNTIAVSA-N 352.309 0.628 0 50 FCAA N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 3812869 QYIYFLOTGYLRGG-GPCCPHFNSA-N 367.814 0.621 0 50 FCAA fda Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccncn2)o1 20149600 NOFYGXLVWJJQMW-MRXNPFEDSA-N 357.414 0.727 0 50 FCAA CCn1c(C2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)nn(C)c1=O 67974045 SWFSKSXCOXTPGH-GFCCVEGCSA-N 370.475 0.133 0 50 FCAA COc1ccccc1N1CCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)[C@H](C)C1 72479013 ZQOUDXPQGYBIAD-CQSZACIVSA-N 372.425 0.591 0 50 FCAA COCCN(C)CCN1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)OC1=O 77303710 SQTKNQLOLRYVAE-HNNXBMFYSA-N 369.462 0.415 0 50 FCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 91416584 PACSBDNJHCAGOC-CVEARBPZSA-N 350.463 0.358 0 50 FCAA CCN1C[C@H](NC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)CC1=O 95387921 QGFDDBPUTMHYBG-CQSZACIVSA-N 371.441 0.761 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 96133436 ITXOYDUABYELGS-UHFFFAOYSA-N 351.366 0.581 0 50 FCAA Cc1c(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c(=O)n(-c2ccccc2)n1C 97527862 BOHDXMZHLBCRKC-IYBDPMFKSA-N 354.410 0.531 0 50 FCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccc2c(c1)OCO2 219590615 LLDRAAIEBYAROU-OLZOCXBDSA-N 351.355 0.723 0 50 FCAA Cc1cc(C)n(CC(=O)N2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)n1 219954279 GBZBPGIOGDRIHP-INIZCTEOSA-N 374.445 0.251 0 50 FCAA O=C(N[C@H]1CCN(C(=O)CCN2CCCCC2)C[C@@H]1O)c1cnccn1 222225827 GNXOLQJNESQLMH-HOCLYGCPSA-N 361.446 0.044 0 50 FCAA Cc1nc(N)ncc1C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 244678613 IGTVOBPPNQQWIZ-HUUCEWRRSA-N 355.398 0.373 0 50 FCAA CC1(C)NC(=O)N(CC(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)C1=O 244811689 SJJQKZKZLICWGH-YUTCNCBUSA-N 360.414 0.210 0 50 FCAA COCc1nc2n(n1)C[C@@H](NC(=O)Cn1cc(Br)cn1)CC2 268255551 RELPJCMKNZBHPV-JTQLQIEISA-N 369.223 0.515 0 50 FCAA Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 275373924 XVEISUWUHWVFJC-GXTWGEPZSA-N 367.431 0.056 0 50 FCAA O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCOC[C@@H]1c1ncon1 329044909 JGCFKSZMZDPPCY-HZPDHXFCSA-N 358.398 0.871 0 50 FCAA COCCc1noc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)n1 426574836 VIFKWNZXXASEHY-LBPRGKRZSA-N 361.406 0.641 0 50 FCAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(N2CCOCC2)CC1 426658157 BGLOWPCQBHRKCY-INIZCTEOSA-N 361.490 0.673 0 50 FCAA CCOc1ccccc1N1CCN(C(=O)NCc2noc(C(N)=O)n2)CC1 584892943 NJWROVJJGFKJEL-UHFFFAOYSA-N 374.401 0.599 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1 670473506 GIXOKBRKLUUQNP-CYBMUJFWSA-N 355.416 0.536 0 50 FCAA Cc1noc([C@@]2(C(F)(F)F)CCN(C(=O)C3=NN4CCCN=C4N3)C2)n1 952893851 KFMGPESMKOPTCN-CYBMUJFWSA-N 371.323 0.389 0 50 FCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1cnn(Cc2ccccc2)c1 1565510954 PRBFKFFXZDTCQU-HOTGVXAUSA-N 359.382 0.920 0 50 FCAA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCN(c2cnccn2)C[C@@H]1O 1565513226 RCMVXKPKMDMNRX-JSGCOSHPSA-N 369.381 0.141 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccccc1F 1704303395 ITOYVLSLNFNKLY-DZGCQCFKSA-N 358.435 0.781 0 50 FCAA O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@H]2CNC[C@@]2(CO)C1 1772701506 QLSTZNOXNYWQAE-YPMHNXCESA-N 350.362 0.908 0 50 FCAA CCCN1C[C@H]2CN(S(=O)(=O)c3ccsc3C(=O)O)C[C@@]2(CO)C1 1772810877 QBJIZWKLGIMBOR-XHDPSFHLSA-N 374.484 0.771 0 50 FCAA COc1ccccc1-n1cc(C(=O)N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)cn1 1857668622 WOJNBSFTBLHLNS-RDJZCZTQSA-N 370.409 0.953 0 50 FCAA NC(=O)Cc1nc([C@H]2CCn3nccc3C2)n(-c2ccc(C(=O)O)cc2)n1 1857671515 UNMFMOQQKXFQOT-LBPRGKRZSA-N 366.381 0.920 0 50 FCAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1857736312 JGIBCZUDHNRDFC-GDBMZVCRSA-N 350.382 0.733 0 50 FCAA C[C@H]1CN2C[C@@H](NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)C[C@H]2CO1 1857740027 FDAIQNBPTGPTEM-DCAQKATOSA-N 352.416 0.408 0 50 FCAA COCCN1CCCN(C(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1=O 1875314635 JVHVABLHGJETSQ-OLZOCXBDSA-N 364.446 0.763 0 50 FCAA Cc1ccc(C(=O)N2CCO[C@H](c3nnnn3C)C2)cc1N1CCNC1=O 2100543364 QVRNWORMXCCUSK-AWEZNQCLSA-N 371.401 0.262 0 50 FCAA COc1ccc2nnc(CCC(=O)NN3CC[C@H](C(F)(F)F)C3)n2n1 2325769868 DQCQRJAVPJQXQQ-VIFPVBQESA-N 358.324 0.981 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCCN(CCc2ccccc2)C1 14948297 RFENLQLUUVSENC-KRWDZBQOSA-N 370.453 0.750 0 50 FCAA Cc1nc2c(c(=O)n1C)CCN(Cc1ccc(-c3nn[nH]n3)cc1)CC2 65405959 CZUSHMJHAZJQPI-UHFFFAOYSA-N 351.414 0.870 0 50 FCAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCC(N)=O)C2=O)c1 67675462 UGOFTSJIFKNFFG-KRWDZBQOSA-N 353.394 0.153 0 50 FCAA CC[C@H]1CN(C(=O)CNS(C)(=O)=O)CCC(=O)N1Cc1ccccc1 71405876 HVONWUYMRZDXQQ-HNNXBMFYSA-N 367.471 0.575 0 50 FCAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)c1 72170158 UJCODHACXJOEKY-ZDUSSCGKSA-N 350.382 0.928 0 50 FCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC1CC1 72441660 YAQBFXCKDCJRMR-UHFFFAOYSA-N 368.455 0.927 0 50 FCAA COc1cccc(CN2CCN(C(=O)[C@@H](O)CCSC)CC2=O)c1 72477865 QYEZWEJUSWMBOP-HNNXBMFYSA-N 352.456 0.980 0 50 FCAA NC(=O)CCN1C[C@H](C2CC2)[C@@H](NS(=O)(=O)N2CCCCCC2)C1 91664543 YPOSQORNGORMBB-CABCVRRESA-N 358.508 0.283 0 50 FCAA CCCCN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1=O 95386605 STWRYGAGVAWNOT-HNNXBMFYSA-N 358.442 0.901 0 50 FCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc(-c3nnn[nH]3)cc1)CC2 95390804 NIBZTMZAPRELIQ-CQSZACIVSA-N 370.413 0.764 0 50 FCAA O=C1C[C@H](C(=O)N2CCN(C3CCOCC3)CC2)CN1Cc1ccncc1 95504711 CACVQMLZGHOMPT-KRWDZBQOSA-N 372.469 0.753 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)CN1C(=O)CCn1ccnc1C 96167024 URCANLXBUAPRNW-CABCVRRESA-N 373.413 0.320 0 50 FCAA Cn1cc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)n3)CC2=O)cn1 118978286 WDRWHPIPCCYLFU-UHFFFAOYSA-N 365.397 0.554 0 50 FCAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)CC2 185839453 AFSGJTPNQYDJAG-QMMMGPOBSA-N 356.333 0.504 0 50 FCAA Cc1ccc(N2C[C@@H](NC(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2=O)cc1 220327177 MMSOGBSHRRCCAU-ZDUSSCGKSA-N 356.382 0.075 0 50 FCAA CSCC[C@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 252483030 DSVOFXGPKVZRDF-GFCCVEGCSA-N 351.432 0.486 0 50 FCAA CN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CCCC1 253423042 CMQKSWCCIKCHJV-UHFFFAOYSA-N 350.466 0.002 0 50 FCAA COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H]2CCCCN2)c1 299750576 NYQWFGDYWNFXMA-HNNXBMFYSA-N 360.418 0.780 0 50 FCAA NS(=O)(=O)[C@@H]1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 331603166 ZCVLTQXZVONSLW-BFYDXBDKSA-N 354.472 0.804 0 50 FCAA NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 408213959 FPQQZAKKRGBBJA-LURJTMIESA-N 359.223 0.094 0 50 FCAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)nc(N)n1 426658567 YOUMSLYOYLVVOC-UKRRQHHQSA-N 355.398 0.373 0 50 FCAA COCCN1C[C@@H](C(=O)NCC(=O)Nc2cc(F)ccc2C)CC1=O 952861177 DNPHIVBKTBFSNJ-LBPRGKRZSA-N 351.378 0.684 0 50 FCAA CO[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C)o2)N(c2ccncn2)C1 952886997 HNVDHSLKTMGPQV-CHWSQXEVSA-N 352.416 0.950 0 50 FCAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CCCN(CC(N)=O)C1 1506416782 FKBMUSFGGANRCR-LBPRGKRZSA-N 358.402 0.412 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)N[C@H]3CNC[C@@H]3O)CCCCC2)cc1 1565510522 IELDDMJDKFAAIA-HOTGVXAUSA-N 366.483 0.741 0 50 FCAA COc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)ccc1C 1704325980 QHPYJJKYIVXSDI-KBPBESRZSA-N 356.444 0.640 0 50 FCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ncc[nH]c3=O)C1)CC2 1704336999 PMZDWEFHCMROMP-GOSISDBHSA-N 354.414 0.746 0 50 FCAA N=c1[nH]c2cc(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)ccc2s1 1857718643 YMHQEANJOCTXJM-AVGNSLFASA-N 362.455 0.663 0 50 FCAA O=C1NC(=O)[C@H](CCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)N1 1875250742 DBCOXTOJFCCGJX-HNNXBMFYSA-N 367.409 0.992 0 50 FCAA C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nc2cncnc2[nH]c1=O 1875339885 BPPPNTVMQQMJBT-SNVBAGLBSA-N 374.401 0.795 0 50 FCAA O=C(NC[C@H](O)CNC(=O)C1(CO)CCC1)[C@H](F)c1ccc(F)cc1 1875345328 WGDSVRRFOOHELB-UONOGXRCSA-N 356.369 0.592 0 50 FCAA COC[C@H]1CCCN1C(=O)[C@H](C)n1cc(Cn2ccc(C(=O)O)n2)nn1 1875355445 KQIFTEDNTZWLMI-WCQYABFASA-N 362.390 0.420 0 50 FCAA Cc1cc(C(=O)N2CC(O)C2)c(C)n1Cc1cn(C2(C(=O)O)CC2)nn1 1875359314 AIGOFIDIVWRFHK-UHFFFAOYSA-N 359.386 0.135 0 50 FCAA CC(=O)N[C@@]12CCOC[C@H]1CN(C(=O)c1cnn(-c3ccncc3)c1)C2 2325849312 LSBLLYSMLLIADY-CRAIPNDOSA-N 355.398 0.635 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)CCc3nc4ccccc4s3)C[C@H]12 65381020 RLUVFTPJLLQYAW-GFCCVEGCSA-N 358.423 0.398 0 50 FCAA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cn(C[C@@H]2CCCNC2)nn1 65492376 PRUDCLKCZBVDCU-CYBMUJFWSA-N 366.429 0.993 0 50 FCAA CC1CCN(C(=O)CCNC(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1 67460027 CUAPFCJMJUEPSY-OAHLLOKOSA-N 362.478 0.656 0 50 FCAA CCn1c(C2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)nn(C)c1=O 67489910 YMLRKYXSAVUNGC-GFCCVEGCSA-N 368.459 0.256 0 50 FCAA O=C(O)c1nn(CCO)c2c1CN(C(=O)c1ccc3c(c1)CCO3)CC2 67804870 WNSRNBHLNIPRIK-UHFFFAOYSA-N 357.366 0.707 0 50 FCAA CCn1c(C2CCN(C(=O)c3nnc4nc(C)cc(C)n34)CC2)n[nH]c1=O 67879633 WAROIUQRPILAPF-UHFFFAOYSA-N 370.417 0.666 0 50 FCAA COc1cccc2c1OC[C@@H](C(=O)NCCc1nnc3n1CCNCC3)C2 67908849 ZBVSGHWGYGXKOZ-AWEZNQCLSA-N 371.441 0.342 0 50 FCAA CCC(=O)N1CCN(Cc2cnn(C(C)C)c2)[C@H]2CS(=O)(=O)C[C@H]21 72440758 CITCPWVYTFJFNK-LSDHHAIUSA-N 354.476 0.684 0 50 FCAA O=C([C@H]1Cc2ccccc2O1)N1CCc2ncnc(NCCO)c2CC1 72469610 YRXZEBRHIVZHHP-QGZVFWFLSA-N 354.410 0.812 0 50 FCAA COc1ccccc1N1CCN(C(=O)c2c[nH]nc2-n2cnnn2)[C@@H](C)C1 72470567 XHFXPFPWAQIUFK-LBPRGKRZSA-N 368.401 0.745 0 50 FCAA O=C(N1CCCCC1)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77516130 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Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCCO 219287504 GWXLGZUMIHWZJX-QAPCUYQASA-N 360.410 0.593 0 50 FCAA CNc1ncc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cn1 223305242 NNKQKGNVAFHLBD-OAHLLOKOSA-N 359.434 0.356 0 50 FCAA CN1CCN(c2cc(N)nc(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 230164907 MZLYNIZKOGIYCZ-GOSISDBHSA-N 359.478 0.554 0 50 FCAA C[C@H]1CCCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H]1CN 237508702 YUMVGJBHBHCNMX-SWLSCSKDSA-N 360.501 0.979 0 50 FCAA O=C(N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O)c1ccc2nnnn2c1 244724178 MPDLQMLEUDJXLK-HUUCEWRRSA-N 366.381 0.130 0 50 FCAA COCCn1nnnc1[C@H]1CN(CC(=O)N2CCc3ccccc32)CCO1 244748852 OPNZOWXWZUXLCP-MRXNPFEDSA-N 372.429 0.282 0 50 FCAA Nc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cn1 244898833 ZCGWTQSVVPOJRH-MGPQQGTHSA-N 354.414 0.701 0 50 FCAA Cc1ccc(Cl)cc1S(=O)(=O)NCCN1C[C@@H](C(=O)O)CC1=O 274987815 MIINDGQKPDGYFH-JTQLQIEISA-N 360.819 0.860 0 50 FCAA CC(C)CN1CCCn2nc(CNC(=O)C3=NN(C)C(=O)CC3)cc2C1 299779970 RJQZMPMWQLARKD-UHFFFAOYSA-N 360.462 0.969 0 50 FCAA COc1cc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)ccc1OCC(N)=O 299799707 YPWIZLAIQCOQNQ-GJZGRUSLSA-N 373.413 0.497 0 50 FCAA CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)ccc1OC 331112451 JGKCYKLSNSGAJB-MOPYBVRISA-N 374.484 0.585 0 50 FCAA O=C(O)c1cn(CC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)nn1 448986449 IIWMXVAQZMYAPD-LBPRGKRZSA-N 357.370 0.854 0 50 FCAA Cn1ncnc1CN1C[C@@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 859389209 DAKXDMVOEAHEOG-IAGOWNOFSA-N 354.414 0.684 0 50 FCAA Cc1ccc(C(=O)N2CCN(C(=O)c3nc(O)nc(O)c3N)CC2)s1 1319269554 ZTFUOIZZSYNYHM-UHFFFAOYSA-N 363.399 0.438 0 50 FCAA Cn1ccc(NC(=O)CN2CCC[C@H](CNC(=O)Cc3cccnc3)C2)n1 1506396931 ZJJOAQFZOAKVPU-MRXNPFEDSA-N 370.457 0.825 0 50 FCAA O=C(CCCc1cn[nH]c1)N1CCCN(C(=O)Cn2cccnc2=O)CC1 1529194586 ALCRHGBEKQXIIB-UHFFFAOYSA-N 372.429 0.050 0 50 FCAA CCCc1nnc2n1C[C@]1(CCN(C(=O)c3n[nH]c4c3COCC4)C1)OC2 1857683304 UVSQCQRKHPWFRO-GOSISDBHSA-N 372.429 0.842 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)Cc3ccccc3F)C[C@H]2CO1 1857710334 ROXPPZVOKJOLHQ-PMPSAXMXSA-N 363.433 0.804 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)c2n[nH]c3c2COCC3)[C@H]1c1cnn(C)c1 1857719693 STOXGXNKNHZJHX-RDJZCZTQSA-N 374.445 0.360 0 50 FCAA NC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350344 JEJNTTZPVRIINF-GHMZBOCLSA-N 368.397 0.945 0 50 FCAA CSc1nc(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH]n1C 2325798728 TZZOQTKZIBWTGY-UHFFFAOYSA-N 355.445 0.462 0 50 FCAA COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CCN2C(=O)c3ccccc3C2=O)C1 44123559 YALYADXFMBZGKU-IUODEOHRSA-N 374.393 0.709 0 50 FCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1nc[nH]n1)CO2 71440096 VPFKIVSDJYRKSK-GFCCVEGCSA-N 358.402 0.410 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 77358461 OTJLYQVQEBUWAK-GOEBONIOSA-N 351.472 0.690 0 50 FCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCO)[C@H]4C2=O)c1 77406057 FCJUGJONLVDYQC-CLWJZODNSA-N 372.421 0.428 0 50 FCAA COCCN1CCN(Cc2nc(C(C)C)no2)[C@H]2CS(=O)(=O)C[C@H]21 91255340 VAEWLDNINRWVBN-OLZOCXBDSA-N 358.464 0.123 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2ccc3[nH]ncc3c2)C1 95523902 ZLVDDPFILOEXHF-GFCCVEGCSA-N 353.404 0.345 0 50 FCAA COCCOCCOCCCNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 170597510 JYBHJYFAVWZKCN-GASCZTMLSA-N 368.430 0.124 0 50 FCAA Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(N)=O)o1 175777412 HSEDLFRXMBDKRW-AWEZNQCLSA-N 354.370 0.774 0 50 FCAA COc1ccc(CN2C(=O)O[C@H]3CN(C(CO)CO)C[C@H]32)cc1OC 211465345 IFOPCOIKQWZKNM-CJNGLKHVSA-N 352.387 0.062 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)NCc1cnn(Cc2ccccc2)c1 215791402 XPJJSNXQLVESQH-UHFFFAOYSA-N 353.382 0.488 0 50 FCAA O=C(COCc1ccccc1)N1CCN(c2ccnc3nncn23)CC1 219294887 HJOHYFMJATWYKW-UHFFFAOYSA-N 352.398 0.990 0 50 FCAA Cn1cc(/C=C/C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c(=O)n(C)c1=O 268939056 IFOOVXXFQVFUOA-MVGZEHJDSA-N 369.377 0.135 0 50 FCAA O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1C[C@H](O)CN1 277650096 SNELLBPHURRSPY-ARFHVFGLSA-N 353.850 0.552 0 50 FCAA Cn1cc([C@@H]2CN(S(=O)(=O)C3Cc4ccccc4C3)C[C@H]2CO)cn1 328622184 IFPFMMFOTZJPKU-WMZOPIPTSA-N 361.467 0.925 0 50 FCAA C[C@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)C[C@@H](C)O1 333243141 IUXJARWCICBEGW-DVOMOZLQSA-N 359.426 0.831 0 50 FCAA CCOC1CC(CNC(=O)N2C[C@@H](C)C[C@@H](O)C2)(N2CCOCC2)C1 333605984 NFVQZAIFDDOIHY-LCMLCXGQSA-N 355.479 0.669 0 50 FCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1nccn1Cc1ccccc1 373540609 ZAUHLCMWBXVBCY-IAGOWNOFSA-N 356.426 0.872 0 50 FCAA COc1ccccc1N1C[C@@H](NC(=O)N(C)Cc2nncn2C)CC1=O 584893005 UMQKLQHKMQSSIX-LBPRGKRZSA-N 358.402 0.771 0 50 FCAA CCN1CCO[C@@H](CN[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1cncn1C 952853081 ZYKAZIFDFMFNRF-KBMXLJTQSA-N 356.492 0.349 0 50 FCAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1n[nH]c(-n2cnnc2)n1 1875245564 FWIFCAVJEYVLMI-LBPRGKRZSA-N 352.402 0.562 0 50 FCAA Cc1cc(C(=O)N2CCc3nc(C(N)=O)cn3CC2)c2c(C)noc2n1 1875247519 NPEBSEOBEVWWQI-UHFFFAOYSA-N 354.370 0.834 0 50 FCAA O=C(C(=O)N1CCC[C@@]12CCOC2=O)N1CCC[C@](O)(C(F)(F)F)C1 1875265911 ZMJSPIRYPIYFBZ-UONOGXRCSA-N 364.320 0.210 0 50 FCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc2c(c1)C(=O)NCC2 1875403003 OPGQBRYGJLLGSD-CSMYWGQOSA-N 354.410 0.739 0 50 FCAA COC(=O)[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C)Cc2ccccc21 2325758354 NDVZPTFMDCAOLO-SWLSCSKDSA-N 354.428 0.724 0 50 FCAA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)N[C@@H]1CNCC12CCOCC2 2325766238 FYHISPNGJPUWDB-WDEREUQCSA-N 364.368 0.217 0 50 FCAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1C[C@H](O)C[C@@H](O)C1 2356169972 OPPRVBKXEANXEJ-HUUCEWRRSA-N 358.394 0.532 0 50 FCAA O=C(NCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)[C@H]1CC=CC[C@H]1C(=O)O 4092193 GNGMRTZFVQZHOO-IGQOVBAYSA-N 364.398 0.553 0 50 FCAA COc1ccc(F)c(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1Cl 65432768 XWDURFZRFGCIRY-GFCCVEGCSA-N 355.797 0.973 0 50 FCAA CCn1nc(C)c(NC(=O)CNCc2ccc(S(N)(=O)=O)cc2)c1C 65453121 KFLBVHIMLRVGLF-UHFFFAOYSA-N 365.459 0.896 0 50 FCAA Cc1c(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)c2cc(O)ccc2n1C 65465524 OCQBROGLDOOCSN-INIZCTEOSA-N 356.426 0.791 0 50 FCAA COCCCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCN(C)CC1 72149518 ZLGKKHHOIDATRU-UHFFFAOYSA-N 374.441 0.789 0 50 FCAA COC[C@@H](O)CNC(=O)c1cn2cc(-c3cc(C)oc3C)n(C)c(=O)c2n1 72420267 HLUQFKSGKZTNRE-LBPRGKRZSA-N 374.397 0.647 0 50 FCAA CC1CCN(S(=O)(=O)N2CCn3nc(CCC(=O)O)cc3C2)CC1 72432952 RTCZFAVMQXDERS-UHFFFAOYSA-N 356.448 0.693 0 50 FCAA CN(C)Cc1nnc(C2CCN(C(=O)c3cn4cccnc4n3)CC2)n1C 77284663 GGPULNGBHUIVLT-UHFFFAOYSA-N 368.445 0.939 0 50 FCAA CNC(=O)CCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77298702 DKJORYFLQNKSSG-UHFFFAOYSA-N 364.494 0.087 0 50 FCAA COCCN1CCC[C@@]2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O 95387761 YEFVFSLRJMKDIV-INIZCTEOSA-N 353.444 0.731 0 50 FCAA Cc1nc2cc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)ccc2[nH]1 97551307 MHKWHHNSNZSEKI-GFCCVEGCSA-N 352.416 0.262 0 50 FCAA Cn1c(=O)c(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)cc2ccccc21 97657078 UIFRINPKUXDKNF-CQSZACIVSA-N 356.426 0.466 0 50 FCAA O=C1NCCN2CCN(C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C[C@H]12 97772813 QWZMSILXRBMIJF-GFCCVEGCSA-N 367.331 0.838 0 50 FCAA COCCn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccccc1 169615941 NLZFHSVWGQTEIB-UHFFFAOYSA-N 358.354 0.139 0 50 FCAA Cc1cccn(CC(=O)N(C)C2CCN(CCn3cccn3)CC2)c1=O 180194835 ABKCPFYBQZUSLX-UHFFFAOYSA-N 357.458 0.976 0 50 FCAA COc1ccc(CN2CC[C@@H](NC(=O)c3[nH]nc4c3CNCC4)C2=O)cc1 188588539 WKIHBNJGUXVYDR-MRXNPFEDSA-N 369.425 0.595 0 50 FCAA O=C(NCc1cc(C2CC2)n[nH]1)[C@]12CNC[C@H]1CN(c1ncccn1)C2 210103855 IHRSMVHRZUALJP-UGSOOPFHSA-N 353.430 0.419 0 50 FCAA O=C(CCn1cnnn1)N[C@H]1CC[C@@H](C(=O)NCCc2cccs2)C1 213132107 PVZQZZYCPCVJAS-OLZOCXBDSA-N 362.459 0.769 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2ccc(F)c(F)c2)[C@H]2CCO[C@H]21 219980325 GSSFAXJOBYSAOK-CXOGBFNASA-N 374.409 0.719 0 50 FCAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CN2CCOc3ccccc3C2)C1 243892927 AMBQTOVNBOLBBX-GASCZTMLSA-N 371.441 0.564 0 50 FCAA CN(Cc1ccoc1)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248110004 JXIBTLURIYIYDK-KGLIPLIRSA-N 363.443 0.281 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCN(C2Cc3ccccc3C2)CC1 252502405 UPXKWQFUBTTYST-UHFFFAOYSA-N 351.472 0.237 0 50 FCAA COCCn1c(CN2CCN(c3cccnc3)CC2)nnc1[C@H]1C[C@@H](N)C1 252535874 HBLWRBMLOIPUCD-IYBDPMFKSA-N 371.489 0.846 0 50 FCAA CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 263870903 MIRVOPVLODYFRB-AWEZNQCLSA-N 366.439 0.838 0 50 FCAA COc1cc(CN2CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)cc(OC)c1 267972602 CGWYYCHKUAZKPD-WCQYABFASA-N 350.419 0.451 0 50 FCAA CC(C)n1cnnc1CCNC(=O)CN1CCN(c2ncccn2)CC1 299797633 ONMMOMWJIXNVQX-UHFFFAOYSA-N 358.450 0.130 0 50 FCAA Cc1ccc(N2CCC[C@@H](N[C@@H]3CCN(c4cnn(C)c4)C3=O)C2)nn1 329517846 ZGVDXCBITABRDO-GDBMZVCRSA-N 355.446 0.882 0 50 FCAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O 331848879 IEICNFRDPXUUFD-CYBMUJFWSA-N 354.538 0.946 0 50 FCAA CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc3nn(C)nc23)C1 827927024 QREDMJPKOQCNHQ-LBPRGKRZSA-N 365.459 0.894 0 50 FCAA CNC(=O)[C@]1(C)CCN(c2ncnc3c2ncn3C[C@@H](O)[C@@H]2CCCO2)C1 888097714 NALXJKAWKPKZQM-FHSNZYRGSA-N 374.445 0.329 0 50 FCAA CCn1cnc2c(c1=O)CCN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1)C2 952848149 BTAJZYYREDKBLL-AWEZNQCLSA-N 356.430 0.999 0 50 FCAA COc1cccc([C@@H](C(=O)O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c1 1506427600 RCCNMHHRTNPBOF-AWEZNQCLSA-N 360.414 0.703 0 50 FCAA CN(C)S(=O)(=O)N[C@H]1CCN(C(=O)CCc2ccccc2F)C[C@@H]1O 1565525450 OFCSNHYLZQQFPF-GJZGRUSLSA-N 373.450 0.116 0 50 FCAA COc1cc(CN2CCC([C@H](O)CO)CC2)cc(Cl)c1OCC(N)=O 1772701531 MOFXVJISGSKHAL-CQSZACIVSA-N 372.849 0.778 0 50 FCAA COc1cc2nc(N3C[C@@H]4CNC[C@]4(CN(C)C)C3)nc(N)c2cc1OC 1772709879 NZPGNXLVYZHWLB-BUXKBTBVSA-N 372.473 0.817 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1Cc2nnc(C)n2C1 1772817120 IGZHABKUVYTSQC-ZDUSSCGKSA-N 354.418 0.562 0 50 FCAA CCn1nc2c(c1C(=O)N1CCN(CCOC)C(=O)C1)C[C@H](C)O[C@@H]2C 1875314100 HESAURNYEJYABT-QWHCGFSZSA-N 364.446 0.856 0 50 FCAA O=C(O)C[C@@H](Cc1cn(Cc2cccs2)nn1)NC(=O)[C@@H]1CCOC1 1875324690 IYMVXZNTKZBFNM-VXGBXAGGSA-N 364.427 0.926 0 50 FCAA CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4C[C@H]3CO4)cc2S1(=O)=O 2325781656 XLJNFFGDFBOLLO-RYUDHWBXSA-N 350.396 0.854 0 50 FCAA CC(=O)N[C@@]12CCOC[C@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 2325849196 IJDVMYNSMMGJBM-RDTXWAMCSA-N 355.398 0.635 0 50 FCAA Cc1ncnc(O)c1C(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1 2325862709 FBHGLKIHOANMHZ-UHFFFAOYSA-N 358.358 0.740 0 50 FCAA CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)CC(=O)N3)C[C@H]1OC 2325880233 ZJRIDFANYVFCAA-HUUCEWRRSA-N 361.398 0.173 0 50 FCAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 3893679 MDZSABYRLMBSCJ-ITKZLYELSA-N 359.425 0.558 0 50 FCAA COc1cnc(S(C)(=O)=O)nc1NS(=O)(=O)c1ccc(C)cc1 4543159 OJYJZDRWDQNBNI-UHFFFAOYSA-N 357.413 0.998 0 50 FCAA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN([C@H]1CCS(=O)(=O)C1)C2=O 4751873 GTORYNOJCSAPLG-SWLSCSKDSA-N 361.423 0.666 0 50 FCAA Cc1ccc(C(=O)NCCCN2CCOCC2)cc1N(C)S(C)(=O)=O 65363538 CHEJBECEGLEUJL-UHFFFAOYSA-N 369.487 0.843 0 50 FCAA COc1ccccc1N1CCC(N2CCN3C(=O)CNC(=O)[C@H]3C2)CC1 65366219 WUWDFCORBXEXLW-MRXNPFEDSA-N 358.442 0.307 0 50 FCAA CN1CCN(c2ncccc2CNC(=O)CN2CCCCCC2=O)CC1 66344519 YGZKWZNSTFAYRR-UHFFFAOYSA-N 359.474 0.852 0 50 FCAA O=C(c1ccc(NC[C@H](O)CO)nc1)N1CCC(Oc2cccnc2)CC1 67697047 PFFIGOBKZZKJDP-HNNXBMFYSA-N 372.425 0.925 0 50 FCAA Cc1nnnn1-c1cccc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)c1 67920231 SGXXVQSLKKVUHP-HIFRSBDPSA-N 357.418 0.037 0 50 FCAA Cc1c[nH]c(Cn2ncc(N3CCO[C@H](CCN)C3)cc2=O)c(C)c1=O 72169411 AMZRHYYSVADLFK-OAHLLOKOSA-N 359.430 0.151 0 50 FCAA CN1CC2(CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)CC1=O 72410255 JHUJNSIWMIQZRN-MRXNPFEDSA-N 368.441 0.928 0 50 FCAA Cc1ncc2c(c1CNC(=O)[C@@H](c1ccccc1)n1cnnn1)CCNC2 72448013 ZURJSVSCJQLQNC-GOSISDBHSA-N 363.425 0.928 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccn2C)[C@H]3C1=O 77456688 ZRUPZHFOGFZVDT-FJXLLPKBSA-N 374.441 0.197 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1nnnn1-c1ccccc1)C2 91657435 GXBGRRZICXMEDQ-DZGCQCFKSA-N 369.429 0.178 0 50 FCAA CCC[C@H]1CN(c2ccc(C)nn2)C[C@@H]1NC(=O)CCS(C)(=O)=O 91713579 CJQTYUSJAHNHPX-KBPBESRZSA-N 354.476 0.941 0 50 FCAA COCCN1CCC[C@@]2(CCN(S(=O)(=O)c3cnoc3C)C2)C1=O 95356801 AAFHUIAGUZJGPB-HNNXBMFYSA-N 357.432 0.633 0 50 FCAA O=C(CN1CCOC1=O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 95359285 PUBIONPTEGUTHJ-GOSISDBHSA-N 365.430 0.459 0 50 FCAA COCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 95372280 WXJWQYYEHAVNIG-AWEZNQCLSA-N 365.405 0.557 0 50 FCAA O=C(c1cnc(N2CCOCC2)nc1)N1CCC(c2cc(=O)[nH]cn2)CC1 97213083 HXLCKLVQWOTPDJ-UHFFFAOYSA-N 370.413 0.416 0 50 FCAA CCN1CCC(CC(=O)N2CCO[C@H](c3nnnn3CCOC)C2)CC1 97553189 MRGMIUZPERFNHP-HNNXBMFYSA-N 366.466 0.341 0 50 FCAA CC(C)CCC(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 122120447 CCEGCMJQLXCYOA-JKSUJKDBSA-N 366.506 0.646 0 50 FCAA O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1c2ccccc2C[C@H]1O 131015655 YYDZSGBIEXGTRA-AEFFLSMTSA-N 365.389 0.854 0 50 FCAA CCC(=O)N1CCc2cc(C(=O)NCCN3CCCS3(=O)=O)ccc21 147578246 JQBGNQQCYCFOKC-UHFFFAOYSA-N 365.455 0.751 0 50 FCAA CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 155037138 RWFDMBGCIYMOSC-CQSZACIVSA-N 352.822 0.631 0 50 FCAA CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CNC(=O)CNC(C)=O 175285697 XHNQKBMFKBOCEI-GOSISDBHSA-N 374.485 0.609 0 50 FCAA O=C1O[C@H]2CN(S(=O)(=O)N3CCCC3)C[C@H]2N1Cc1ccccn1 214931346 LXFIAWMZOVWFPQ-KGLIPLIRSA-N 352.416 0.427 0 50 FCAA COCCn1nnnc1[C@H]1CN(Cc2c(C)nc3ccccn23)CCO1 215661860 HNWAPIDQQPDVSE-OAHLLOKOSA-N 357.418 0.849 0 50 FCAA Cc1n[nH]c(SCC(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 219415107 BZERIZVUXVIBCN-UHFFFAOYSA-N 361.431 0.048 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)Cc2noc3ccccc23)[C@H]2CCO[C@H]21 220539117 CRCIUYDNRNLAGG-CXOGBFNASA-N 365.411 0.192 0 50 FCAA C[C@@H](Cn1cccn1)NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 223252136 BFRAWBWIACAKBC-AWEZNQCLSA-N 362.455 0.936 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)NCc1nncn1CCc1ccccc1 223568073 ULUPVNPZXRFZSL-UHFFFAOYSA-N 368.397 0.077 0 50 FCAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1ccc2[nH]c(CO)nc2c1 252538470 NBRFOBHMEODUSV-HBUWYVDXSA-N 358.442 0.924 0 50 FCAA Cn1ncn(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O 271161085 PUIDYTUCWTUWAH-UHFFFAOYSA-N 369.347 0.949 0 50 FCAA O=C(NCCN1CCN(Cc2ccccc2)CC1)N1CC(=O)N(C2CC2)C1 279876495 FWBITOIQSKHTKA-UHFFFAOYSA-N 371.485 0.778 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCC2)cc1 299755602 AOOXUKYQIAZDPQ-ZDUSSCGKSA-N 371.480 0.815 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCCSc1ncn[nH]1 299759781 PFFLWCZNJQDUCY-UHFFFAOYSA-N 362.463 0.177 0 50 FCAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 426359987 SOBJGEKVKKSDFK-HUUCEWRRSA-N 371.401 0.094 0 50 FCAA O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2n[nH]cc2C1 426489424 VWGJKCIOTLFYSJ-CQSZACIVSA-N 352.460 0.194 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)NCc2csc(N)n2)ccc1OC 670439423 SCDNCMLCPOJRCR-UHFFFAOYSA-N 356.429 0.572 0 50 FCAA CCC(CC)CN1CCc2nnc(CNC(=O)[C@@H]3CCC(=O)N3)n2CC1 822603721 DSJABJJHADHVDR-AWEZNQCLSA-N 362.478 0.467 0 50 FCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(Oc4ccccc4)CC3)C2)C1 823813831 WYEUAOOHILPKIB-CYBMUJFWSA-N 357.410 0.403 0 50 FCAA NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCCCCC2=O)cc1 827819952 LWENQUMQUCYMOD-UHFFFAOYSA-N 367.471 0.785 0 50 FCAA Cc1nc(C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n(CCO)n1 828776689 JDKTVCKPMQAPDD-CQSZACIVSA-N 359.430 0.721 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O 1506418144 PMEOCLHKBGJHMK-LBPRGKRZSA-N 351.369 0.578 0 50 FCAA COc1cc(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C[C@@H]2O)c(C)cc1C 1616122710 XQQZPLHRLDKEES-RYUDHWBXSA-N 363.457 0.090 0 50 FCAA O=C(Cn1cnnc1)N1C[C@H]2CN(C(=O)c3ccccc3F)C[C@@]2(CO)C1 1772709646 OZRMMAPPBIZIQY-SCLBCKFNSA-N 373.388 0.010 0 50 FCAA Cn1cncc1C(=O)NC[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3 1857711924 ISMAIGRFKNGAJX-BUIAKZPTSA-N 360.458 0.808 0 50 FCAA COCCN(C)C[C@@H](O)CN(C)C(=O)c1ccc2c(c1)NC(=O)CO2 2325867516 YLGKTWYLVKDPDO-CYBMUJFWSA-N 351.403 0.029 0 50 FCAA C[C@H](O)C(=O)N1CCOC[C@H]1CN(C)C(=O)Cc1c(F)cccc1F 2325875431 ROIHFYCBTSMJGI-NWDGAFQWSA-N 356.369 0.574 0 50 FCAA CCCO[C@H]1C[C@@H](C(=O)NCCc2ncc[nH]2)CC[C@@H]1NS(C)(=O)=O 2356152182 SAQYHWQXJHUYLK-IHRRRGAJSA-N 372.491 0.582 0 50 FCAA COCCNC(=S)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 2851902 CRHQHXADGRMKLH-UHFFFAOYSA-N 361.464 0.653 0 50 FCAA COc1cc(S(=O)(=O)NCCN2CCOCC2)c(OC)cc1Cl 19594917 HMLJXVRNRSQQIV-UHFFFAOYSA-N 364.851 0.968 0 50 FCAA O=C(CCc1ccc(O)cc1)OCc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] 44123048 BHXMFZBBPCQJLR-UHFFFAOYSA-N 370.361 0.981 0 50 FCAA COC(=O)[C@]1(C)N[C@H](c2ccc3onc(C)c3c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65508230 GHAHNYSMAYFKKA-UHQDVWGKSA-N 357.366 0.943 0 50 FCAA CN(CCC(N)=O)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 71751682 QAROIAKLFHLSLA-ZDUSSCGKSA-N 357.407 0.313 0 50 FCAA CN(C(=O)Cn1nnnc1N)[C@H]1CCCN(C2Cc3ccccc3C2)C1 72161055 BMPJILABUIYIGJ-HNNXBMFYSA-N 355.446 0.346 0 50 FCAA CCCNC(=O)C[C@@H]1COCCN1C(=O)CCc1c(C)nc(=O)[nH]c1C 72477184 IMRBOSUKKBQZRM-CQSZACIVSA-N 364.446 0.463 0 50 FCAA COc1cccc(C(=O)N2CCN(C(=O)c3cccn(C)c3=O)CC2)c1 77419438 BMMXFJZBOKSKGU-UHFFFAOYSA-N 355.394 0.992 0 50 FCAA Cc1nc(N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cc(-n2cccn2)n1 82161611 WQFBYLFKRVDDLH-UONOGXRCSA-N 364.475 0.981 0 50 FCAA CN(C)C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 82170883 BFRCXBFDEFXYDQ-HNNXBMFYSA-N 352.479 0.703 0 50 FCAA CN1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@]12CCNC(=O)CC2 91381935 MZWGJWUTDZXPTN-IBGZPJMESA-N 372.473 0.503 0 50 FCAA O=C(c1ccc(S(=O)(=O)N2CCSCC2)cc1)N1CC[C@@H](O)C1 91626016 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0.710 0 50 FCAA O=C1CC[C@H](c2ccc(C(=O)N3CC(Cn4cc(CO)nn4)C3)cc2)N1 1875336579 BYRQHENNQGQKFM-MRXNPFEDSA-N 355.398 0.494 0 50 FCAA C[C@@H]1CO[C@H](C(=O)N2CC(O)([C@@H](C)NC(=O)Cc3ccc(F)cc3)C2)C1 1875344009 BKKXBSHBYHEKJT-ZENOOKHLSA-N 364.417 0.871 0 50 FCAA CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](O)[C@@H](C)CC)C[C@H]1O 2325838895 CDGYZOAYOXSRHS-MYPMTAMASA-N 365.430 0.189 0 50 FCAA CCn1cc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)c(C)n1 2782909 IJOXKHNJMVSZKD-HZMBPMFUSA-N 350.400 0.584 0 50 FCAA Cn1ccnc1SCCNC(=O)C[C@H]1C(=O)NCCN1C1CCCC1 12209774 SQVUPJMRWKHJFY-AWEZNQCLSA-N 365.503 0.762 0 50 FCAA COC(=O)CNC(=O)c1sc2ncnc(NCCN(C)C)c2c1C 14881274 LQSLHNQWHDJQDC-UHFFFAOYSA-N 351.432 0.876 0 50 FCAA CN1CCNC(=O)C12CCN(C(=O)c1ccc3sc(N)nc3c1)CC2 67460374 UQOFIZRFRHSHFZ-UHFFFAOYSA-N 359.455 0.915 0 50 FCAA Cc1nc(NCCNS(=O)(=O)c2c(C)noc2C)cc(N(C)C)n1 67622700 NWUOVNOHZGIUKD-UHFFFAOYSA-N 354.436 0.846 0 50 FCAA CC(C)[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCC(=O)N1CC1CC1 71404113 DAWWLVJCXJASMX-CYBMUJFWSA-N 350.419 0.034 0 50 FCAA COCCN1C[C@H](C(=O)N(C)Cc2nc(-c3ccccn3)no2)CCC1=O 91645287 YFKAOYBNYILVBF-CYBMUJFWSA-N 373.413 0.975 0 50 FCAA CO[C@@H]1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96164781 PSUMGQDHPWRJFT-GFCCVEGCSA-N 350.419 0.901 0 50 FCAA O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N[C@H]2CCCNC2=O)c1 97797313 BQKIHNOGHLTBIM-HNNXBMFYSA-N 374.422 0.891 0 50 FCAA COCCNC(=O)CN1C(=O)N[C@@H](c2cccs2)C2=C1COC2=O 169749906 IQTZDKWCNMBNLG-ZDUSSCGKSA-N 351.384 0.388 0 50 FCAA CCC1CCC(N(CCO)CCNS(=O)(=O)c2cnn(C)c2)CC1 170612241 XXNNQZTYPJOPPH-UHFFFAOYSA-N 358.508 0.962 0 50 FCAA CC(C)CS(=O)(=O)CCNC(=O)c1ccc(-c2nnn(C)n2)cc1 216524547 KEFMCPBMERWMPU-UHFFFAOYSA-N 351.432 0.678 0 50 FCAA Cc1ncc(CC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c(=O)[nH]1 223237084 HMBMIJYLXSRCIL-HZPDHXFCSA-N 358.398 0.506 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1ccncc1)C2 225404334 LYNPDLAILFINEX-CVEARBPZSA-N 358.442 0.552 0 50 FCAA O=C1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCN1Cc1ccc(Cl)cc1 225405435 RQQXSEOLGKXTKR-ZDUSSCGKSA-N 370.858 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NC[C@]1(c2nc(-c3ccc(CN4C(=O)CNC4=O)cc3)no2)CCCO1 1875309733 LFULMJJKSSPIJX-KRWDZBQOSA-N 357.370 0.753 0 50 FCAA COC1(CO)CN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1 1875404127 WCSXGGZQTMURDV-CQSZACIVSA-N 363.462 0.067 0 50 FCAA COCCN1CCN(C(=O)c2ccc3nnc([C@H](O)C(C)C)n3c2)CC1 1940196557 RWFLOOKORUANSI-MRXNPFEDSA-N 361.446 0.823 0 50 FCAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cccc2ncnn12 2100556967 LLRLAETZJDMKOQ-MRXNPFEDSA-N 352.398 0.928 0 50 FCAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CC(N4CCOCC4)C3)cn12 2356167263 VXKLWGXPVBGTGC-MRXNPFEDSA-N 359.430 0.575 0 50 FCAA CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 800606 LAFLXHMDXSHYRK-UHFFFAOYSA-N 372.418 0.906 0 50 FCAA Cn1c(=O)n(CCCO)c(=O)c2c1nc1n2CCCN1c1ccccc1 13771011 BVVQWNIBMQRRCR-UHFFFAOYSA-N 355.398 0.821 0 50 FCAA Cc1ccc2[nH]c(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)cc2c1 67947065 WKEVANWHBFRWRJ-ZDUSSCGKSA-N 351.428 0.867 0 50 FCAA Nc1ccc(C(=O)N2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cn1 67956337 ZUAVCNUNVVHOKS-UHFFFAOYSA-N 355.402 0.625 0 50 FCAA O=C(c1nnc2n1CCCC2)N1CCc2c(ncnc2N2CCOCC2)C1 71736211 LTFXLBLJUDYNJJ-UHFFFAOYSA-N 369.429 0.440 0 50 FCAA Cn1cc(C(=O)N2CCOC[C@H]2CC(=O)NCCc2ccc(O)cc2)cn1 72479150 TVZJXMIDDRRVJT-MRXNPFEDSA-N 372.425 0.716 0 50 FCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCNC(=O)C2)[C@@H]3C1=O 77391036 BKOVESRHMLRBGL-JQZVDIJISA-N 361.442 0.163 0 50 FCAA Cn1ccnc1CN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77485076 JWAMJGYPXDEODV-UHFFFAOYSA-N 373.505 0.885 0 50 FCAA NC(=O)CN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2O)CC1 91412293 CFUHAUOWDOHQFM-UHFFFAOYSA-N 355.398 0.529 0 50 FCAA CC(=O)N[C@H]1CN(C(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1C1CC1 91620866 FGTIVZUBMHDXAK-CABCVRRESA-N 351.428 0.321 0 50 FCAA Cn1cc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)cn1 91624810 FBRVEULAINNMMV-OAHLLOKOSA-N 361.446 0.287 0 50 FCAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cc(N)[nH]n2)CC1 91757430 WDRZOEBWTUQZDK-UHFFFAOYSA-N 369.433 0.868 0 50 FCAA COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1 91966620 KRMCRTORAVUZGV-STQMWFEESA-N 359.423 0.041 0 50 FCAA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)N1CCOCC1)CC2 91973869 NSDFRZHHVHPAGD-ZDUSSCGKSA-N 353.419 0.616 0 50 FCAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCCO[C@H](Cn2cccn2)C1 95528155 DUVMWLUMNNCGIP-AWEZNQCLSA-N 355.398 0.844 0 50 FCAA CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CC2 95531782 UXHOIQGPLWROHW-AWEZNQCLSA-N 362.478 0.196 0 50 FCAA CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 195173503 JJIXQJQSKLUAHL-SFHVURJKSA-N 356.470 0.814 0 50 FCAA C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)c1cccc(C(=O)NCCF)c1 215102164 MKIOGZAKZUVBRC-NSHDSACASA-N 359.423 0.483 0 50 FCAA CC(=O)N[C@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@H]1c1ccc(C)cc1 222226592 ODJPHEOGNGSRDJ-CVEARBPZSA-N 367.471 0.494 0 50 FCAA CCCNC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cnn1C 226557150 APUXDRCNECXRIV-KKOKHZNYSA-N 350.375 0.377 0 50 FCAA Cc1cc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cn3)CC2)c(C)o1 253398576 SGMSPIVPYFXPOQ-UHFFFAOYSA-N 364.427 0.901 0 50 FCAA CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc3nccn3c2)CC1 296975236 BUKSEBOGHLNHAI-UHFFFAOYSA-N 351.432 0.335 0 50 FCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCNC(C)(C)C2)[C@@H](C)O)cc1 330761693 NLLVNHQCCAZCME-UKRRQHHQSA-N 369.487 0.233 0 50 FCAA C[C@H]1CN2CCC[C@H]2CN1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 408512934 QGJGZEUKGGOWHR-ZFWWWQNUSA-N 366.487 0.119 0 50 FCAA O=C(Cn1cnc2ccsc2c1=O)NCc1nc(-c2cnccn2)n[nH]1 426562827 FITZPAZQJAMAOL-UHFFFAOYSA-N 368.382 0.350 0 50 FCAA CS(=O)(=O)CCN1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1 828184173 KLQUPHJDTAOMNF-UHFFFAOYSA-N 367.471 0.433 0 50 FCAA COc1ccc(F)cc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 886077849 QGJNXRRBFDQJKQ-QGZVFWFLSA-N 351.378 0.237 0 50 FCAA CC(C)Oc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)nc(N)n1 1565510205 OZQFRNTZKOHSFR-JSGCOSHPSA-N 372.429 0.929 0 50 FCAA COC(=O)N1CCN(Cc2cc(CC(C)C)[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1565530735 NZICLZQXYYUVSW-CABCVRRESA-N 370.475 0.658 0 50 FCAA O=C1CCc2cn(nn2)CCOc2ccc(F)cc2C(=O)NCCCN1 1704323093 TUKRTKMABSJENJ-UHFFFAOYSA-N 361.377 0.679 0 50 FCAA Cc1nc2ccc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2[nH]1 1704337038 QZYPJOTWKIMIHB-SWLSCSKDSA-N 366.443 0.508 0 50 FCAA Cc1cccn(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1=O 1775962580 UFEIKQWSORNBNJ-CXAGYDPISA-N 357.414 0.369 0 50 FCAA CC[C@]12COC(=O)N1CCN(C1CCN(C(=O)c3cnccn3)CC1)C2 1857666953 NPTALGZIGDMXSS-SFHVURJKSA-N 359.430 0.998 0 50 FCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3nsnc3C)CC(=O)N21 1857712126 RNAAGAYRFISEKW-DCAQKATOSA-N 352.416 0.471 0 50 FCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2COC[C@]2(C(=O)N2CCCC2)C1 1875268371 YNDLVUBOQRYVGZ-BFUOFWGJSA-N 372.425 0.771 0 50 FCAA N=c1nc(C2CC2)[nH]c(=N[C@@H]2CCN(C(=O)C3(O)CC3)CC23CCC3)[nH]1 1875407678 FWDNGQUQUYWNCS-GFCCVEGCSA-N 358.446 0.291 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@](F)(CN)C2)Cc2ccccc21 2325795549 MBRRUEOEUNRPIU-AKAXFMLLSA-N 355.435 0.872 0 50 FCAA CSc1ncc2c(NC3CCN(S(N)(=O)=O)CC3)nccc2n1 2325901435 FXQCMUCUIZPPCJ-UHFFFAOYSA-N 354.461 0.827 0 50 FCAA COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NCCCC(=O)O)c1OC 1836587 IYWJPZXARFGICD-AATRIKPKSA-N 373.383 0.945 0 50 FCAA biogenic Nc1nc(NS(=O)(=O)c2ccc(Cl)cc2)nc(N2CCOCC2)n1 3832565 HBTKCYUQRIAFOQ-UHFFFAOYSA-N 370.822 0.745 0 50 FCAA CCCCS(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009283 WUFPUZKMBDPWOB-UHFFFAOYSA-N 350.448 0.914 0 50 FCAA O=C1CC[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CN1 55645286 HSZCPBPKGQAQOI-AWEZNQCLSA-N 365.455 0.436 0 50 FCAA CC(CO)(CO)NC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67674621 YWXOVHRMXUKVMB-KRWDZBQOSA-N 358.385 0.151 0 50 FCAA CCc1nnc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)o1 67804240 ULOJAKAVYJWOSC-UONOGXRCSA-N 365.434 0.359 0 50 FCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67954663 QGJDXQBGRNUUAV-CVEARBPZSA-N 355.394 0.898 0 50 FCAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 71754074 HEIGIDSYKATHSV-AWEZNQCLSA-N 366.425 0.768 0 50 FCAA COc1cccc(F)c1C(=O)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91417005 MTFUHRVOURQXQK-ZIAGYGMSSA-N 352.406 0.847 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(CCOCc3ccccc3)C[C@@]2(C(=O)O)C1 96138212 ZDIXHRFAGAOFQI-NVXWUHKLSA-N 368.455 0.481 0 50 FCAA C[C@]1(O)CCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C[C@@H]1O 96179868 PSKAYUVIVPOOHN-RDJZCZTQSA-N 367.467 0.856 0 50 FCAA O=C(NCc1nncn1-c1ccccc1)[C@H]1COCCN1CC(F)F 170598475 XHUZGGNPGJWLDC-CYBMUJFWSA-N 351.357 0.849 0 50 FCAA O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)c1cn2ccnc2s1 188522852 QSVWOKZXKBLQCL-UHFFFAOYSA-N 360.399 0.703 0 50 FCAA COc1cccc([C@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@@H]2C(=O)O)c1 212720742 SQSFWQFBUORTCH-KGLIPLIRSA-N 370.427 0.261 0 50 FCAA O=C(CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1)N1CCOCC1 213463754 LWBHOJDRSWDAHE-WBVHZDCISA-N 358.442 0.363 0 50 FCAA Cn1ncc(N2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)cc1=O 219876396 FZXRWPXSYORUPD-HNNXBMFYSA-N 350.419 0.015 0 50 FCAA O=C1CN(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)C(=O)N1 247745163 QYASINPJQUDNAI-CABCVRRESA-N 370.409 0.188 0 50 FCAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 269000338 YNBIRRGISXIPLC-GFCCVEGCSA-N 353.762 0.795 0 50 FCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cccnc2N2CCOCC2)C1 271487306 DZUAXRLJRXOILL-ZDUSSCGKSA-N 368.459 0.072 0 50 FCAA CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(OCC(=O)O)c1 299741712 AHROTEBXGSJIHG-CYBMUJFWSA-N 356.400 0.190 0 50 FCAA COCC(=O)N1CC[C@@H](NC(=O)CCn2c(C)nc3ccccc32)[C@H](O)C1 299760607 VMHLCNNOEOKSNC-NVXWUHKLSA-N 374.441 0.459 0 50 FCAA O=C1[C@@H](Cc2cn(CCO)nn2)N=C(O)N1C[C@@H]1CCc2ccccc2C1 328611414 LLNNKDQPSDXNQK-CXAGYDPISA-N 369.425 0.743 0 50 FCAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1 328617406 CRPAMNSCXHJVNN-CQSZACIVSA-N 363.443 0.447 0 50 FCAA Cc1cc(=NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159169 KGGFLHRLQUOSRJ-ZMLRMANQSA-N 355.416 0.268 0 50 FCAA COCCN1C[C@@H](CNC(=O)N2CCC(Cn3ccnc3)CC2)CC1=O 426716796 BHLAONKKYLCUSA-MRXNPFEDSA-N 363.462 0.800 0 50 FCAA CNS(=O)(=O)CCCN(Cc1nccn1C)[C@@H]1CC12CCNCC2 435696647 UUZFPPIGADWXBS-CQSZACIVSA-N 355.508 0.304 0 50 FCAA CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952860095 DPMIFZNGBIWCSS-LLVKDONJSA-N 372.428 0.080 0 50 FCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)NCc2c(C3CC3)cnn2C)n1 952887882 LKEVGEFWKNAVME-CQSZACIVSA-N 358.446 0.528 0 50 FCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NC2CCNCC2)cc1OC 1529107042 VSKXRAKQJLARTH-SJORKVTESA-N 363.414 0.128 0 50 FCAA COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704334317 HPMSTYTVLNCJKL-KGLIPLIRSA-N 368.455 0.790 0 50 FCAA CCOCCC(=O)N1CCCN(C(=O)C2CCN(C(C)=O)CC2)CC1 1772709223 IDXHRVNCTNBZFM-UHFFFAOYSA-N 353.463 0.732 0 50 FCAA CCc1ccc(O)c(C(=O)N2CC3(C2)[C@@H](C(=O)NC)CCS3(=O)=O)c1 1857528010 SVMHTWRMXLVLSU-CYBMUJFWSA-N 366.439 0.330 0 50 FCAA Cc1nc(CCNC(=O)c2cn3c(n2)CCNCC3)nc2c1CCCC2 1857722125 CBNGXVMGSVEMCG-UHFFFAOYSA-N 354.458 0.979 0 50 FCAA Cc1nn(CC(=O)N2CCN3[C@@H](C)COC[C@H]3C2)c(=O)c2ccccc12 1857723863 ZSLPPMNTLRFSRB-DZGCQCFKSA-N 356.426 0.636 0 50 FCAA Cc1nsnc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857726601 YZESYSCXANISRP-JSGCOSHPSA-N 350.448 0.724 0 50 FCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(N2CCNC2=O)cc1 1875403279 RVUFOSOVHZKVCJ-KBRIMQKVSA-N 369.425 0.982 0 50 FCAA CCN(CC)CCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1 15064909 VONLIRLDRRWXQF-UHFFFAOYSA-N 351.499 0.705 0 50 FCAA Cn1c(=O)c2c(ncn2CN2CCN(c3ccccc3)CC2)n(C)c1=O 56918222 CSNZQIHCHLVFMO-UHFFFAOYSA-N 354.414 0.213 0 50 FCAA CN1CCC2(CC1)CN(C(=O)CCn1c(=O)[nH]c3ccccc31)CCN2C 67675823 XDXBYOAVYUOQRT-UHFFFAOYSA-N 371.485 0.958 0 50 FCAA O=C(CCn1ncc(N2CCNCC2)cc1=O)NCc1ccccc1F 72142121 ZSQOBGRMEHXHPI-UHFFFAOYSA-N 359.405 0.499 0 50 FCAA O=C([C@@H]1CCCO1)N1CCCN(S(=O)(=O)NCc2ccccc2)CC1 72158437 DJVQNJYXBKASNH-INIZCTEOSA-N 367.471 0.734 0 50 FCAA Cn1ncc(N2CC[C@H](CNC(=O)c3cn4ccsc4n3)C2)cc1=O 77321060 RLFURJFXMAGBCH-LLVKDONJSA-N 358.427 0.746 0 50 FCAA CCn1cc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c(C)n1 82083258 GRSWKMLRWBUBRW-UHFFFAOYSA-N 366.491 0.863 0 50 FCAA COc1cccc2c1OC[C@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)C2 82091859 BHUSTIQCXVIRIB-CYBMUJFWSA-N 368.455 0.787 0 50 FCAA O=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1 95363602 BWSGICFMARWJOM-ZIAGYGMSSA-N 360.462 0.079 0 50 FCAA Cc1nnsc1CN(C)C(=O)CN1CC2(CCN(C)CC2)CC1=O 95496719 AFLBCZSWLQLCNB-UHFFFAOYSA-N 351.476 0.749 0 50 FCAA CC(C)[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1NS(=O)(=O)N(C)C 95511740 NNSQKWVBTDIYBU-UONOGXRCSA-N 358.439 0.713 0 50 FCAA O=C(C1CCS(=O)(=O)CC1)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95518909 NSDFIVNAHSPJIG-QGZVFWFLSA-N 366.483 0.517 0 50 FCAA COc1cc(CN(C)CCO)ccc1OC[C@@H](O)CN1CCSCC1 96167175 QWNYOJVTNJQJIY-INIZCTEOSA-N 370.515 0.908 0 50 FCAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2C[C@H](F)CN2)c1 97717218 DTFRJOYTVOBFTF-GWCFXTLKSA-N 359.427 0.726 0 50 FCAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[C@]2(O)CCCC[C@H]2C1 120513561 ACBIFIKYSKTVKT-ORAYPTAESA-N 357.410 0.843 0 50 FCAA C[C@H](C[S@](C)=O)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 182609150 CYVYEPLKXULGNO-SHACYNPGSA-N 358.508 0.093 0 50 FCAA O=C(CCN1CCCC1=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 219095591 KZVKHRFEKSTKNP-IAGOWNOFSA-N 362.426 0.844 0 50 FCAA COc1ccnc(N2CCN(C(=O)C3=C(C)N4CCN=C4S3)CC2)n1 219715564 SAAFRJWWZPBJIW-UHFFFAOYSA-N 360.443 0.784 0 50 FCAA COc1ccnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)c1 221261051 AJHYNBNMILOJHO-QGZVFWFLSA-N 372.425 0.999 0 50 FCAA O=C1NCC2(CCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)O1 223736072 GONOGFRRDFFFEH-AWEZNQCLSA-N 356.386 0.558 0 50 FCAA CCC(C)(C)NC(=O)CN1CCn2nc([C@H](O)c3ccnn3C)cc2C1 230564685 QAQUSPWAOGFUEG-KRWDZBQOSA-N 360.462 0.819 0 50 FCAA CCc1nc(CN2CCC(CNC(=O)[C@@H]3C[C@@H](O)CN3)CC2)cs1 237043530 IDGFZKRALYTBCN-CABCVRRESA-N 352.504 0.757 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2OCC)cc1 243893446 ARGJYIGMSCRFQU-HOTGVXAUSA-N 369.487 0.824 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 247527279 NKKVMAUURFJXEK-OLZOCXBDSA-N 354.428 0.614 0 50 FCAA Cc1csc(SCC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)n1 299800785 IVWKDINQJXBJEZ-UHFFFAOYSA-N 367.500 0.952 0 50 FCAA Cc1nc2ccc(CC(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)cc2[nH]1 426612536 GMVIGMKIGFMUHO-ROUUACIJSA-N 358.442 0.708 0 50 FCAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NOCCN1CCCC1=O 856040411 FYGBRTSXBIDCFQ-OAHLLOKOSA-N 358.402 0.436 0 50 FCAA CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC[C@@H](N)C2)nn1 887448897 JEBLXPLAZYVJLE-IEBWSBKVSA-N 358.490 0.694 0 50 FCAA CC(C)n1nccc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCCS1(=O)=O 931175068 AAMMVLFBMIVATQ-UKRRQHHQSA-N 370.475 0.693 0 50 FCAA COc1ccccc1N1C[C@@H](C(=O)N(CCO)Cc2nccn2C)CC1=O 952977010 ROKVLSIIEHPTBX-AWEZNQCLSA-N 372.425 0.803 0 50 FCAA CC(C)C1=NO[C@H](C(=O)N2CCCN(C(=O)C3=NNC(=O)CC3)CC2)C1 1529145593 DDFUKROIVYEVRD-AWEZNQCLSA-N 363.418 0.114 0 50 FCAA O=C1CO[C@H](C(=O)NCc2n[nH]c3c2CCCCC3)[C@@H](c2cccnc2)N1 1529151171 HDOBNLIQQHFFRW-MSOLQXFVSA-N 369.425 0.946 0 50 FCAA CNCCN1C(=O)CC[C@@H]2CN(c3ncccc3C(=O)N(C)C)CC[C@@H]21 1565515392 VZJDYEZZOWALQX-ZBFHGGJFSA-N 359.474 0.820 0 50 FCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cnc4c(c3)CCC4)C[C@@H]2O)no1 1565530590 YAVMYXHURREEDH-RDJZCZTQSA-N 370.409 0.872 0 50 FCAA C[C@H]1COC[C@H]2CN(C(=O)CCc3nc4ccccc4[nH]c3=O)CCN12 1875240809 FQWGECNPYUYAHZ-UONOGXRCSA-N 356.426 0.787 0 50 FCAA Cc1cc(C(=O)N2CC[C@@H](CN3C(=O)CNC3=O)C2)n(CC(F)(F)F)n1 1875301780 UJZBNRGXOAOLNP-SNVBAGLBSA-N 373.335 0.768 0 50 FCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 2100483660 HFNIIAJSPOLKCA-NSHDSACASA-N 374.445 0.192 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3c2COC3)C[C@H]1O 2356159202 QQDMVALPEKDSCQ-SWLSCSKDSA-N 354.428 0.041 0 50 FCAA COc1ccc(OC)c(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 879162 UMGJFVBEZJFSPA-ZDUSSCGKSA-N 372.443 0.765 0 50 FCAA COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 3005222 HQPZRMXCFFMFNC-UHFFFAOYSA-N 365.249 0.832 0 50 FCAA COC(=O)C1=C2CCCCN2C(C(=O)OC)=C(C(=O)OC)[C@@H]1C(=O)OC 4533068 HOKSHYBRZYUIFA-LLVKDONJSA-N 367.354 0.302 0 50 FCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cn(CCN2CCOCC2)nn1 15065138 JLLDOIWLJXGKHC-MRXNPFEDSA-N 371.441 0.686 0 50 FCAA O=C(Cn1nnnc1CN1CCOCC1)NC[C@H]1CCc2ccccc2O1 20599655 YRHIEVWWQGUBRI-OAHLLOKOSA-N 372.429 0.015 0 50 FCAA Cc1cccnc1N1CCN(C(=O)c2cn(C[C@H]3CCCNC3)nn2)CC1 65398807 NCHZRNGEZCNKSG-INIZCTEOSA-N 369.473 0.944 0 50 FCAA CCn1c(C2CCN(C(=O)CSc3nc(C)n[nH]3)CC2)nn(C)c1=O 67689286 UXDMASXCZJSTJZ-UHFFFAOYSA-N 365.463 0.527 0 50 FCAA CC[C@]1(C2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)NC(=O)NC1=O 67803586 KOXIWHOVDZTQIW-QGZVFWFLSA-N 362.386 0.224 0 50 FCAA O=C(NCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)CO)CC2)C1 71771239 PFTFSSBEIAPFSX-QGZVFWFLSA-N 359.470 0.998 0 50 FCAA NC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72138910 LADYYYCXZGVQCJ-QGZVFWFLSA-N 368.437 0.522 0 50 FCAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCc2n[nH]cc2C1 72153058 YFCDIJYNLUSCSE-QGZVFWFLSA-N 353.426 0.685 0 50 FCAA O=S1(=O)CC[C@@H](N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)C1 72164871 NSEVVONNMZHKQJ-QGZVFWFLSA-N 361.471 0.572 0 50 FCAA O=C(C[C@H]1COCCN1Cc1ccc(-c2cc[nH]n2)s1)NCCO 72426163 BGQLRPBYQNJETO-LBPRGKRZSA-N 350.444 0.838 0 50 FCAA Cc1ncc2c(c1CNC(=O)CSc1nnc(N)s1)CCNC2 72462763 DFNZVFPMFLMGPI-UHFFFAOYSA-N 350.473 0.878 0 50 FCAA NC(=O)CN1C(=O)[C@@]2(CCN(C(=O)Cc3cccnc3)C2)c2ccccc21 82109049 PCUBZTVINOYLFN-HXUWFJFHSA-N 364.405 0.626 0 50 FCAA CCC(CC)C(=O)N1CCN(C(=O)c2ccon2)[C@H]2CS(=O)(=O)C[C@H]21 82157707 MOCXSGOUNPDPPE-KGLIPLIRSA-N 369.443 0.561 0 50 FCAA Cc1nc(CN2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)no1 91518879 NYKHTJIZYHOGNM-UHFFFAOYSA-N 368.397 0.432 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 95361843 QIMCUMRFHYWSBA-OAHLLOKOSA-N 373.461 0.098 0 50 FCAA O=C(Cn1ccnc1-c1ccccc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 95522451 XSYRAMVHZLWOFW-LSDHHAIUSA-N 360.439 0.148 0 50 FCAA O=C(C1CCCC1)N1C[C@@H]2CN(CCCn3cnnn3)C[C@]2(C(=O)O)C1 96131037 WYCMUWHFOVLFHV-YOEHRIQHSA-N 362.434 0.098 0 50 FCAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)Cc2nonc2C)CC1 96139413 ZDHUEEXLLBEHHD-UHFFFAOYSA-N 361.450 1.000 0 50 FCAA O=C(CN1CCC(NC(=O)c2cc(C(F)(F)F)[nH]n2)CC1)NC1CC1 97694884 MKYXFJWSKBZFDR-UHFFFAOYSA-N 359.352 0.901 0 50 FCAA Cc1cc(CC(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)on1 243892788 ALGANLDHQPOUBG-HZSPNIEDSA-N 357.414 0.949 0 50 FCAA O=C(O)[C@]12CN(CCO)C[C@H]1CN(C1CCN(Cc3ccccc3)CC1)C2 247420846 RECMOMQOJQHJNL-RXVVDRJESA-N 373.497 0.962 0 50 FCAA O=S(=O)(N1CCCC1)N1CCN(CCn2cnc3ccccc32)CC1 252479936 BQHBJFGWJOXUAO-UHFFFAOYSA-N 363.487 0.995 0 50 FCAA CC[C@@H](O)CN1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 269282298 RGOSPTKBOSAVHT-BEFAXECRSA-N 374.441 0.270 0 50 FCAA Cc1cc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)NC(C)C)CC2)on1 284350118 RYPOVUYRJQRPJK-LBPRGKRZSA-N 359.452 0.170 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccccc2)C[C@H]1O 299794247 IJXNXDJWBMTBHK-ZIAGYGMSSA-N 373.500 0.137 0 50 FCAA O=C1CN(c2ccc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)cc2)C(=O)N1 299797832 OODPLLLHLNESCZ-GJZGRUSLSA-N 358.398 0.336 0 50 FCAA O=C1NCCN(C(=O)NC2(C(=O)O)CCOCC2)[C@@H]1c1cccc(F)c1 426436799 WWIVHOOJCJWAKA-CYBMUJFWSA-N 365.361 0.642 0 50 FCAA Cc1ccc(C(=O)NCc2nc(N)nc(N(C)C)n2)c(OCCCN)c1 426544609 BPFZEOZDVFDJDY-UHFFFAOYSA-N 359.434 0.486 0 50 FCAA Cc1ccc(-n2nnnc2N2CCN([C@@]3(C(=O)O)CCOC3)CC2)cc1 886095463 XGTYWAGFGZYHBX-KRWDZBQOSA-N 358.402 0.336 0 50 FCAA CN(C)C(=O)c1cc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)ccn1 1321436534 MJZPWRMTRMVFEO-GFCCVEGCSA-N 351.428 0.937 0 50 FCAA CNC(=O)Cn1cc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cn1 1529126020 MUVBZEGYGACSAF-CQSZACIVSA-N 355.398 0.584 0 50 FCAA CC(=O)N1CC[C@H](NC(=O)COCc2nc3ccc(C)cc3[nH]2)[C@@H](O)C1 1565526765 GPAYSVSKNQOHGL-HOCLYGCPSA-N 360.414 0.486 0 50 FCAA Nc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)ccn1 1565530985 CBIZIAGOYACFHE-OCCSQVGLSA-N 352.398 0.831 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1c[nH]nc1-c1ccccc1)C2 1704336336 LVIFQYUBBYIICX-ZFWWWQNUSA-N 370.409 0.934 0 50 FCAA Cc1ccc(NC(=O)C[C@@H]2Cc3c(n(C)c(=O)n(C)c3=O)NC2=O)cc1C 1848442844 LKKISEILBXNSPZ-LBPRGKRZSA-N 370.409 0.840 0 50 FCAA CC[C@H](NC(=O)c1cc2n(n1)CCN(C)C2=O)c1cn2cccnc2n1 1857676461 HOHXSJDRCXUAHE-NSHDSACASA-N 353.386 0.893 0 50 FCAA CC(C)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 1857797975 HHFBTORVYSBGFT-CYBMUJFWSA-N 352.412 0.651 0 50 FCAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc(O)c(C(=O)O)c1)C2 1875244301 GQCNVECRXORGRK-MNOVXSKESA-N 356.400 0.042 0 50 FCAA CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)NCc2cccnn2)C1 1875265467 CTUTXBKNDVGNND-CQSZACIVSA-N 359.390 0.501 0 50 FCAA Cn1cc(CC(=O)N2CCC(N3CC(=O)NC3=O)CC2)c(C(F)(F)F)n1 1875318352 GUMLQYDYMYVJSR-UHFFFAOYSA-N 373.335 0.524 0 50 FCAA COc1ccc(NC(=O)Cc2nn(CCO)c(=O)c3ccccc23)cn1 1875326196 LALHROZYLPNMNF-UHFFFAOYSA-N 354.366 0.974 0 50 FCAA CN(C)c1noc(CN2C(=O)CC[C@H](n3cc4c(=O)cccc-4[nH]3)C2=O)n1 1875358920 NDOLCDAWXYKUDL-LBPRGKRZSA-N 370.369 0.621 0 50 FCAA Cc1ccc(C)c(C(=O)N[C@H]2C[C@@H](O)CN(C(=O)c3cc(F)n[nH]3)C2)n1 2325877751 ZGALNPNIJYBLQK-NWDGAFQWSA-N 361.377 0.566 0 50 FCAA CN(CCOc1ccc(Br)cc1)[C@H]1CS(=O)(=O)C[C@H]1O 2332237342 SVIAXTCIIULYHV-QWHCGFSZSA-N 364.261 0.918 0 50 FCAA N=c1nc(O)cc(N2CCC(NC(=O)c3cccc4ncnn34)CC2)[nH]1 2356168054 NNQMOMAXSOGMRY-UHFFFAOYSA-N 354.374 0.036 0 50 FCAA COC(=O)[C@@H]1O[C@H](SC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4557132 HHAWIPPOHLEARU-YCGPCKTQSA-N 364.372 0.042 0 50 FCAA O=C1CCCN1C[C@H]1CCCN(C(=O)Cn2ncn3cccc3c2=O)C1 20110080 NLUVXEIDTKVAGB-CQSZACIVSA-N 357.414 0.357 0 50 FCAA Nc1nnc(SCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 22737948 UWSBHVZLOMIJRC-SNVBAGLBSA-N 371.488 0.310 0 50 FCAA COc1ccc2cc(C(=O)N[C@@H]3C[C@H]4C(=O)NCC(=O)N4C3)n(C)c2c1 65490893 QZAPKYULPCPZIG-ABAIWWIYSA-N 356.382 0.016 0 50 FCAA CNC(=O)CNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67692030 ZFLDEEQQSKBWLW-UHFFFAOYSA-N 373.457 0.714 0 50 FCAA COCC1(CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1 67739546 GWEUREAZRVLBIB-UHFFFAOYSA-N 360.457 0.797 0 50 FCAA CNC(=O)CN(C)Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 71750541 DHTLAIHSNNBANE-UHFFFAOYSA-N 359.430 0.293 0 50 FCAA COc1ccc(CN2CCN[C@@H](C(=O)NC3CC3)C2)cc1Cn1cncn1 72147098 HXQBYXKLBQQUSD-QGZVFWFLSA-N 370.457 0.387 0 50 FCAA CN(C)[C@H](C(=O)N1CCc2c(nc[nH]c2=O)C1)c1ccc2c(c1)OCO2 72158097 OKGCEEBCHQNFIW-INIZCTEOSA-N 356.382 0.686 0 50 FCAA COc1ccc2[nH]c(=O)c(CN3CCN[C@@H](C(=O)N4CCCC4)C3)cc2c1 72168019 PIOHXBLPWJAFKZ-GOSISDBHSA-N 370.453 0.933 0 50 FCAA CN(CCCn1cccn1)C(=O)C[C@@H]1COCCN1C(=O)c1cnccn1 72406967 FEPQKTWIJDWEEM-OAHLLOKOSA-N 372.429 0.453 0 50 FCAA CS(=O)(=O)c1cnc(NCCN2CCOCC2)nc1[C@@H]1CCCNC1 72411126 IGQNJRRAUJZOBM-CYBMUJFWSA-N 369.491 0.091 0 50 FCAA COc1cccc(CN2CCN(C(=O)CCc3nncn3C)CC2=O)c1 77521677 APXVDBIDQIBCSR-UHFFFAOYSA-N 357.414 0.627 0 50 FCAA Cc1cccc(-c2ncc(C(=O)NCCSc3nnnn3C)c(=O)[nH]2)c1 82108155 MYPLMTDSVNQDPL-UHFFFAOYSA-N 371.426 0.791 0 50 FCAA C[C@@H](O)CN1CC2(CCC1=O)CCN(S(=O)(=O)N1CCCC1)CC2 91319712 ONVNVRWWXUVKHG-CQSZACIVSA-N 359.492 0.412 0 50 FCAA O=C1COc2cc(C(=O)N3CCC4(CC3)CN[C@H](C(=O)O)C4)ccc2N1 91655905 GWCWQLRSFNNRKF-ZDUSSCGKSA-N 359.382 0.686 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 91932710 IKMLCQFZCDIRMZ-CQSZACIVSA-N 362.430 0.151 0 50 FCAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(=O)n(C)c(=O)n2C)n1 95523967 IGBFITUGJNXUTP-UHFFFAOYSA-N 371.319 0.174 0 50 FCAA O=C(Cn1c(=O)cnc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 95527323 DJLIGFDGGUNUGP-OAHLLOKOSA-N 367.409 0.911 0 50 FCAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCc2[nH]cnc2C1 96151857 ICJXWQNUVRFBOI-ZDUSSCGKSA-N 352.460 0.194 0 50 FCAA Cc1cc(C)n2ncc(CN3CCC4(CC3)NC(N(C)C)=NC4=O)c2n1 97425357 UMDNYGGPWAFEFX-UHFFFAOYSA-N 355.446 0.728 0 50 FCAA O=C(Cn1cccn1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 115338716 HDLFSBGFRCGOQL-UHFFFAOYSA-N 366.418 0.945 0 50 FCAA CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)cc1=O 212674411 NFLCVOSUALLRIG-OCCSQVGLSA-N 353.444 0.364 0 50 FCAA O=C(O)COc1ccccc1CN1CCCn2nc([C@@H](O)CO)cc2C1 217101892 PJMUDUUYJXJISN-INIZCTEOSA-N 361.398 0.778 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)CN3CCc4ccccc4C3)CC2)C(=O)N1 220292540 WCGUZRGWRPSGCL-UHFFFAOYSA-N 369.469 0.453 0 50 FCAA O=C(NCC1(C(=O)O)CCOCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 261773987 XFWZWQKEFUOWDD-SECBINFHSA-N 352.309 0.395 0 50 FCAA COCCn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21 263588130 PKTIKRYPDLXDSA-CYBMUJFWSA-N 366.439 0.970 0 50 FCAA Cn1nnc2cc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)ccc21 264123421 GRCWFTSDSYTSKQ-UHFFFAOYSA-N 350.382 0.962 0 50 FCAA CC(=O)c1csc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 266692897 VVTQIMOCAQJOBG-AAXDQBDMSA-N 363.395 0.837 0 50 FCAA Cc1cc(F)ccc1C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274530267 ZCDUMCRDJPZQRG-UHFFFAOYSA-N 353.379 0.399 0 50 FCAA C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 282579065 PJDWAHBYERHNFM-FZMZJTMJSA-N 351.428 0.759 0 50 FCAA CNC(=O)[C@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@@H]1c1cnn(C)c1 299741461 DZRICADXHUGHSS-CABCVRRESA-N 357.414 0.734 0 50 FCAA CC(C)[C@@H]1OCCC[C@H]1N=c1cc[nH]c(=NCCCNS(C)(=O)=O)[nH]1 328622039 AXJDAXIJJJXMJM-HIFRSBDPSA-N 371.507 0.287 0 50 FCAA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)CCCn2cccc2)C1 328648444 UOFGHGLVHKPFED-HNNXBMFYSA-N 358.446 1.079 0 50 FCAA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 328650616 VOQXRCOBMYYGEY-LBPRGKRZSA-N 373.461 1.132 0 50 FCAA Cn1cnnc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 363788383 KZHVQMVMBRANSB-CYBMUJFWSA-N 371.397 0.680 0 50 FCAA Cc1nnc2n1C[C@@H](NC(=O)N[C@H](C)C(=O)NCc1ccccc1)CC2 378562625 RFLPIUUHODFVNX-DOMZBBRYSA-N 356.430 0.905 0 50 FCAA COc1cccc(CCC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1 426599797 UVHBPEYIMLBDDL-IAGOWNOFSA-N 363.458 0.267 0 50 FCAA COCCc1nc(CNC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)no1 534659160 NAEUEBBPNGPWHK-QWHCGFSZSA-N 373.413 0.749 0 50 FCAA O=C(CN1CCOCC1)NC[C@@H]1CCCN(CC(=O)Nc2ccccc2)C1 827836774 FJZHQEKELDWNMF-KRWDZBQOSA-N 374.485 0.786 0 50 FCAA CN1CCN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1(C)C 827945825 UECNXVNJVQQLNN-OAHLLOKOSA-N 357.520 0.438 0 50 FCAA CO[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1c1cn(C)nn1 886084770 GLCLYESRQTXKTB-GOEBONIOSA-N 355.398 0.412 0 50 FCAA CC(C)Cn1nnc2c1C[C@@H](c1nc(CS(=O)(=O)N(C)C)no1)CC2 952895700 WEJDLOXLUCMTNJ-NSHDSACASA-N 368.463 0.981 0 50 FCAA Cc1ccnn1CCC(=O)N1C[C@H]2COC[C@@H](C1)CN2Cc1cncnc1 1704330791 GBNYZDHJGXTYQG-MSOLQXFVSA-N 370.457 0.731 0 50 FCAA Cc1nc(C)c(C(=O)N2C[C@H]3CN(S(=O)(=O)C(C)C)C[C@@]3(CO)C2)o1 1772808847 CMSDXKZVMGDTEJ-XJKSGUPXSA-N 371.459 0.396 0 50 FCAA COc1cnc(C)cc1-c1nc(CC(N)=O)nn1[C@@H]1CCS(=O)(=O)C1 1857735194 MAVODIUGLNJCRJ-SNVBAGLBSA-N 365.415 0.045 0 50 FCAA CN(C)C(=O)c1cn2c(n1)CCN(C(=O)CCc1ccc(O)nn1)CC2 1875241068 NUVDQXNWNVPECY-UHFFFAOYSA-N 358.402 0.098 0 50 FCAA CC(=O)Nc1ncc(S(=O)(=O)N2CCCC[C@@H]2Cn2ccnn2)s1 1875257179 YAOVRRDABQHTCD-LLVKDONJSA-N 370.460 0.936 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 1875371977 SNMZNFQAEHJDMW-DOMZBBRYSA-N 359.430 0.455 0 50 FCAA CC1(C)C[C@@H](S(=O)(=O)NC(=O)Cn2ncc(=O)c3ccccc32)CO1 2325758482 FXCZVEAXTCZMTC-LLVKDONJSA-N 365.411 0.410 0 50 FCAA Cn1c(=O)c2c(nc(N3CCOCC3)n2CCc2ccccc2)n(C)c1=O 626175 IJUPDPUYWZPYMQ-UHFFFAOYSA-N 369.425 0.513 0 50 FCAA CC(C)CN1C[C@@H](C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)CC1=O 65529594 GQMQMXVSDCZPOZ-AWEZNQCLSA-N 358.442 0.998 0 50 FCAA COc1cc(Cl)ccc1OCc1cc(C(=O)NC[C@H](O)CO)no1 67674208 CSIYHLBGFGJQHA-JTQLQIEISA-N 356.762 0.999 0 50 FCAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCn3c(C(N)=O)cnc3C2)c1C 67881173 QBIBRYLFUSPWKG-UHFFFAOYSA-N 359.386 0.760 0 50 FCAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)CO)CC2)C1 71749009 XVGXXTHHYIRDSK-HNNXBMFYSA-N 360.458 0.393 0 50 FCAA Cc1ccccc1OC[C@H](O)C(=O)NCc1cc(N2CCOCC2)ncn1 72439938 WNVRZHIMOLJFNX-INIZCTEOSA-N 372.425 0.678 0 50 FCAA 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Cc1ccc(N2CCC[C@@H](N[C@H]3CCN(c4cnn(C)c4)C3=O)C2)nn1 329517853 ZGVDXCBITABRDO-ZBFHGGJFSA-N 355.446 0.882 0 50 FCAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C 330187987 KUWXSFLEIFXFOS-ZDUSSCGKSA-N 373.457 0.585 0 50 FCAA CNC(=O)c1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nn1 378044347 GQNRSSOLLNRLKN-OAHLLOKOSA-N 353.426 1.339 0 50 FCAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)CC1 460602009 YTTRSJOGPJZYII-AWEZNQCLSA-N 373.413 0.896 0 50 FCAA CN(C)Cc1cc(O[C@H]2CCN(CCC(=O)N3CCOCC3)C2)ccn1 886068737 MRIGXFDZDWCVIV-SFHVURJKSA-N 362.474 0.845 0 50 FCAA O=c1c2sc(N3CCCC3)nc2ncn1C[C@@H](O)CN1CCOCC1 952846950 LEVDWYBMQLFPSB-LBPRGKRZSA-N 365.459 0.146 0 50 FCAA NC(=O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)COC3)C2 952849955 JBLMEACHWQSMKO-CJNGLKHVSA-N 352.412 0.229 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(CSC)no2)C1 1506415573 YVXQWWTWMMODPV-SNVBAGLBSA-N 350.466 0.625 0 50 FCAA CN(C)CCc1nnc(NC(=O)c2cn(C[C@@H]3CCCNC3)nn2)s1 1529174983 ZDDLCOJZJVCOEU-LLVKDONJSA-N 364.479 0.486 0 50 FCAA COc1cccc(CCC(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)c1 1565526572 UVHBPEYIMLBDDL-IRXDYDNUSA-N 363.458 0.267 0 50 FCAA CCc1ccccc1CN1CCN(S(C)(=O)=O)[C@H]2CS(=O)(=O)C[C@H]21 1616102546 RSOISWMGZOXTCQ-CVEARBPZSA-N 372.512 0.492 0 50 FCAA CN1CCC2(CC1)CN(C(=O)c1cc(N3CCOCC3)no1)CCO2 1772814097 KDRVFRREJJAKHW-UHFFFAOYSA-N 350.419 0.448 0 50 FCAA CCC[C@H](OC)C(=O)N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1775997088 UXLYBNKLBGHQMB-ILXRZTDVSA-N 372.487 0.438 0 50 FCAA Cc1c(C(=O)NCCS(=O)(=O)N2CCOCC2)nc2ccccn12 1857725203 MQZUBTQWZYWNJA-UHFFFAOYSA-N 352.416 0.035 0 50 FCAA C[C@H](N)C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857735039 DUXXNMCQCXLDRG-LBPRGKRZSA-N 361.446 0.172 0 50 FCAA Cc1noc(COCC(=O)N2C[C@H](c3ccc(F)cc3)CS2(=O)=O)n1 1875362521 IKODQLVTIOVBGU-LBPRGKRZSA-N 369.374 0.990 0 50 FCAA COC(=O)c1cnc(N2CCc3nc(C(=O)NC4CCC4)cn3CC2)cn1 1940196367 GERNOYHSUVDPIW-UHFFFAOYSA-N 370.413 0.805 0 50 FCAA Cc1nc(CCNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n[nH]1 2100555039 KOJQQIHTXJNWQO-SJORKVTESA-N 370.413 0.298 0 50 FCAA Cn1cc([C@@H]2C[C@H](C(=O)N3CCC[C@@]4(CCC(=O)NC4)C3)CC(=O)N2)cn1 2325792555 RQCHGPRFJGGHNE-RFUYNDQBSA-N 373.457 0.506 0 50 FCAA COCC(=O)N(C)C[C@@H]1CN(c2cc(Cl)nc(COC)n2)CCO1 2325866913 DXSXVACOSASVAJ-LLVKDONJSA-N 358.826 0.586 0 50 FCAA CCc1nc2ccccc2n1CCC(=O)N1CCN2C(=O)CNC(=O)[C@@H]2C1 65406584 HCVBFVWMROFTAU-HNNXBMFYSA-N 369.425 0.158 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCCO 72122300 JNEBKIIEMFJZOP-AWEZNQCLSA-N 357.813 0.668 0 50 FCAA Cn1nnnc1SCCNc1nc(-c2ccccn2)nc2c1CCNC2 72156425 IWSDPVFBSUHICM-UHFFFAOYSA-N 369.458 0.912 0 50 FCAA Cc1cc(=O)[nH]c(NCCn2ccnc2-c2cc3n(n2)CCCNC3)n1 72418030 QDQXJGGFMJBZCY-UHFFFAOYSA-N 354.418 0.744 0 50 FCAA CC(=O)N1CCN(C(=O)c2ccnc(C(C)C)n2)[C@H]2CS(=O)(=O)C[C@H]21 72432819 CAZZQGAGYHEWLL-KGLIPLIRSA-N 366.443 0.070 0 50 FCAA O=C([C@H]1CNC[C@H](C(=O)N2CCc3ncccc3C2)C1)N1CCOCC1 91736263 RNMBIZMKHJAKGT-HZPDHXFCSA-N 358.442 0.051 0 50 FCAA COC(=O)c1n[nH]cc1CN1CCn2nc(CCC(=O)NC3CC3)cc2C1 91793321 GUAIBESWDSMXIA-UHFFFAOYSA-N 372.429 0.620 0 50 FCAA CC(C)(C)OC(=O)COCCOCCOCCOCCOCCO 96503339 XPLBSNFHNMATJJ-UHFFFAOYSA-N 352.424 0.403 0 50 FCAA CNC(=O)CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)O)c1=O 97137891 YIDBVSSIDVJNAF-UHFFFAOYSA-N 357.366 0.265 0 50 FCAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 139426366 OJOUTOMXUOSPBD-OAHLLOKOSA-N 365.455 0.643 0 50 FCAA O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1cnn(CC(F)F)c1 186518575 VULWXEONQINLFR-LLVKDONJSA-N 372.401 0.886 0 50 FCAA Cn1cc([C@H](NC(=O)c2cc(=O)nc3sccn23)[C@H]2C[C@@H](O)C2)cn1 223933462 BMLSVRIBPSGYTN-GLXFQSAKSA-N 359.411 0.732 0 50 FCAA CCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(C)n2)cc1 225657429 RLBYBQYIGUFXNE-UHFFFAOYSA-N 365.415 0.686 0 50 FCAA COc1ccc([C@H](NC(=O)CCc2ccc(=O)[nH]n2)[C@H]2C[C@@H](O)C2)cn1 244774233 PQANVCZSRXXJCW-WRSAYESZSA-N 358.398 0.735 0 50 FCAA CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1N 278597525 KTXMODIBXHDZRA-UHFFFAOYSA-N 362.477 0.662 0 50 FCAA COc1ccccc1CNC(=O)CCN1CCc2c(c(CO)nn2C)C1 299778861 OVDWURZZZMPCKV-UHFFFAOYSA-N 358.442 0.986 0 50 FCAA CCc1nc(CN2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)n[nH]1 328606989 ULMJFPULHWBXPE-AWEZNQCLSA-N 373.461 0.598 0 50 FCAA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)COC2CCCCC2)C1 328626827 FLUXSYPBYABAIG-CQSZACIVSA-N 363.462 1.146 0 50 FCAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 329033170 QJUYYEBREKSYDY-UMVBOHGHSA-N 370.475 0.428 0 50 FCAA Cn1nccc1[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 376599349 IPZJBGSHURBYKG-CYBMUJFWSA-N 359.430 0.991 0 50 FCAA CN1C[C@]2(CCN(C(=O)CCc3nc(-c4cccnc4)no3)C2)OCC1=O 426429873 WPVGZLHJSMDTQG-SFHVURJKSA-N 371.397 0.524 0 50 FCAA CN(CCCn1cccn1)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 426442516 KAERFIQDEZRBMK-MRXNPFEDSA-N 368.503 0.631 0 50 FCAA Cc1n[nH]c(C)c1CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 426530926 QZHQIUAERYDQJU-UHFFFAOYSA-N 362.478 0.866 0 50 FCAA COCCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)cn1 947925698 HDXONGDMMYCVDX-DGCLKSJQSA-N 363.443 0.877 0 50 FCAA CNC(=O)Cn1cc(NC(=O)Cc2ccc(-n3nnnc3C)cc2)cn1 1529126027 OAZQUVGFEZYVGL-UHFFFAOYSA-N 354.374 0.094 0 50 FCAA Cc1c(Cl)cccc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529180532 JUQFEGHSQHUYCM-SMDDNHRTSA-N 360.863 0.973 0 50 FCAA CNCC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1529190695 MHLYSEJIZKTYHM-MOPGFXCFSA-N 372.469 0.971 0 50 FCAA O=C(CCCN1CCCC1=O)N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O 1565530145 NWSBVUXUTGLEDQ-IRXDYDNUSA-N 360.458 0.536 0 50 FCAA Cc1ccc(OCC(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1C 1616076999 WSHDJBHITRIZRK-ZBFHGGJFSA-N 370.471 0.393 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1c[nH]c2ccccc12 1704304213 LETATGJTMHYPEU-BBRMVZONSA-N 365.455 0.733 0 50 FCAA CN(C[C@H](O)CO)C(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704308802 KUKJTBLYKFBGOB-AWEZNQCLSA-N 361.398 0.603 0 50 FCAA C[C@@]1(O)CCOC2(CCN(Cc3ccc(OCCO)cc3)CC2)[C@H]1O 1704315823 FFIFFPWRYIBRAI-ZWKOTPCHSA-N 351.443 0.925 0 50 FCAA COc1nc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)ncc1F 1772711999 ZJXCZJJJTUVZAC-UHFFFAOYSA-N 359.427 0.477 0 50 FCAA Cn1ccc(C(=O)NC2([C@H]3CCCN3C(=O)C[C@@H]3CCC(=O)N3)CC2)n1 1875406399 CSKDLJLGXLDAMV-GXTWGEPZSA-N 359.430 0.342 0 50 FCAA Cn1ncc(I)c1C(=O)Nc1cnn(C)c1C(N)=O 2766597 ULFJYGVVNOJPTC-UHFFFAOYSA-N 374.142 0.109 0 50 FCAA Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 20617721 GPLQRLAZRFUCJE-UHFFFAOYSA-N 354.326 0.655 0 50 FCAA O=C(Cn1ncc(N2CCCC2)cc1=O)NCCc1cn2ccsc2n1 23428809 DVOUHPRSYRCCKM-UHFFFAOYSA-N 372.454 0.912 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)NCc2csc(-c3cnccn3)n2)C1 55327590 SACDRKKUTGLZKQ-LLVKDONJSA-N 360.443 0.414 0 50 FCAA Cc1cnn(C2(C(=O)O)CCN(C(=O)Cc3cnc(C)[nH]c3=O)CC2)c1 72432490 OOUARBIWQSDGAO-UHFFFAOYSA-N 359.386 0.228 0 50 FCAA CN(CC(=O)NCc1cc(N2CCOCC2)ncn1)Cc1cccnc1 72473808 PEGDRYBKPLBAFZ-UHFFFAOYSA-N 356.430 0.456 0 50 FCAA CN(Cc1ccccn1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77285036 ARTZGGRNLWQPNI-LSDHHAIUSA-N 374.470 0.083 0 50 FCAA CCN1CCN(C(=O)Cc2csc(C(C)=O)c2)[C@H]2CS(=O)(=O)C[C@H]21 77505900 LGQLKZOOWQXOMZ-KGLIPLIRSA-N 370.496 0.823 0 50 FCAA COc1nnc(CN2CCn3nc(CCC(=O)NC4CC4)cc3C2)s1 82166949 GQZZMXMYZHCZNB-UHFFFAOYSA-N 362.459 0.970 0 50 FCAA COCCc1noc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)n1 91535842 DIJWCAJUVDIUAE-KRWDZBQOSA-N 351.451 0.387 0 50 FCAA COc1ccccc1[C@@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)C[C@H]1C(=O)O 92004644 RJAHTZYXJKVDEW-LSDHHAIUSA-N 371.393 0.956 0 50 FCAA CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1 95391936 DNCWTIQKORYSJJ-UHFFFAOYSA-N 371.484 0.290 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(c3ncnc4ccsc34)C[C@@]2(C(=O)O)C1 96151028 QHRKWYBQKXADJO-YMTOWFKASA-N 368.440 0.474 0 50 FCAA O=C1CN(c2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)C(=O)N1 97425197 AZDCAQAFMCNISR-HNNXBMFYSA-N 360.414 0.319 0 50 FCAA O=C(COc1ccccc1)N1CCN(C(=O)c2ccn3nnnc3c2)CC1 97475662 NMEAOKLYCLOVPG-UHFFFAOYSA-N 366.381 0.488 0 50 FCAA Cn1nnc(Br)c1S(=O)(=O)N[C@H]1COc2ccccc2C1 170613323 KDMQCCSDTCLOET-SECBINFHSA-N 373.232 0.860 0 50 FCAA O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1cnc[nH]1 206233930 TVQRGDHCVDBJIG-OAHLLOKOSA-N 355.398 0.622 0 50 FCAA Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)cn1 215384761 MCJNLEYKPZGDPT-CJNGLKHVSA-N 356.430 0.839 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 218961134 LGRGUJIXPWGOID-VIFPVBQESA-N 352.416 0.735 0 50 FCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)CN1CCOc2ccccc2C1 219335425 YTVZDEGMZKFPNU-GDBMZVCRSA-N 364.398 0.256 0 50 FCAA Cc1cn(CC(=O)N(C)Cc2c[nH]nc2-c2ccccc2)c(=O)[nH]c1=O 222788751 WUFKQNKNYJSJQH-UHFFFAOYSA-N 353.382 0.894 0 50 FCAA Cn1nnnc1SCCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 223501468 JMMIOEBPXCZGTH-ZDUSSCGKSA-N 366.491 0.990 0 50 FCAA CNC(=O)c1noc(CNC(=O)CCC(=O)NC2CCCCCC2)n1 244874781 XHFPGZPLPDCRFR-UHFFFAOYSA-N 351.407 0.665 0 50 FCAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 328611431 LMZIAUSWRAZTSH-TUAOUCFPSA-N 359.452 0.203 0 50 FCAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1 333577576 NIXPPJYGLHPHJT-KGLIPLIRSA-N 355.464 0.646 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1Cc2ccc(OC)cc2OC(C)(C)C1 420842909 WCRHLNXGKRYNHS-UHFFFAOYSA-N 371.459 0.927 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N2CCN(c3cnccn3)CC2)cc1 426390009 XTWRRFKOXHSULK-UHFFFAOYSA-N 364.413 0.652 0 50 FCAA CN1C[C@]2(CCN(C(=O)NCc3nc(-c4ccncc4)n[nH]3)C2)OCC1=O 534644251 LNQGVAXTYBBLOE-KRWDZBQOSA-N 371.401 0.009 0 50 FCAA C=CC(=O)NCc1ccc(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)cc1 911831607 IWAIZXQXYMCIPJ-UHFFFAOYSA-N 354.414 0.878 0 50 FCAA CN(C[C@H]1CCCN(CCO)C1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 1506429958 WNJNKNIJWKGZQY-GFCCVEGCSA-N 372.443 0.415 0 50 FCAA CN(Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704304440 RKSMRLKMMXFSSO-VNHYZAJKSA-N 368.437 0.974 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1ccc3oc(O)nc3c1)C2 1704307198 VNIRJOLZWYQSJF-QWRGUYRKSA-N 353.400 0.485 0 50 FCAA CCc1c(C)nn(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1C 1704342010 BLVXFABXKBEZEM-DZGCQCFKSA-N 372.491 0.085 0 50 FCAA COCCc1noc(CN2CCCN(C(=O)Cc3cccnc3)CC2)n1 1772712937 VZVICNZFXUDIKU-UHFFFAOYSA-N 359.430 0.931 0 50 FCAA Cc1cc(N2CCC3(CC2)CN(C(=O)[C@H]2CCNC2=O)CCO3)nc(C)n1 1775990334 GCTQHKSJLPSRON-HNNXBMFYSA-N 373.457 0.427 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3onc4ncccc34)C[C@H]2CO1 1857681322 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Cc1coc(C)c1C(=O)N1CC2(C1)CN(C(=O)[C@H]1CNC(=O)C[C@@H]1C)C2 1875407115 SVUMCJIEHJDEOJ-FZMZJTMJSA-N 359.426 0.953 0 50 FCAA CC(C)S(=O)(=O)N1CCN(Cn2ncc3ccccc3c2=O)CC1 2084329448 FTBHKFGGRSNDNN-UHFFFAOYSA-N 350.444 0.710 0 50 FCAA Cn1ccn2ncc(CNC(=O)N3CCC[C@@](O)(C(F)F)C3)c2c1=O 2325787743 UPJRGIYAVPPWKI-HNNXBMFYSA-N 355.345 0.335 0 50 FCAA CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)[C@H]1C[C@@](F)(CO)C1 2325805610 VZGKNQVREQWBIM-WSMBLCCSSA-N 354.401 0.958 0 50 FCAA CCCO[C@@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@H]1NS(C)(=O)=O 2356170877 QYABYWPCPUOUSA-RRFJBIMHSA-N 372.491 0.512 0 50 FCAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C[C@@H](O)CO)CC1=O 14751190 DLGSEFSNASMCDX-MSOLQXFVSA-N 350.459 0.725 0 50 FCAA CCn1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(N)=O)n1 17073022 GYUIDXLERNLTTE-UHFFFAOYSA-N 352.401 0.807 0 50 FCAA O=C(NCCc1nnc2n1CCNCC2)c1cccc(-c2cn[nH]c2)c1 67726108 LPCMDIATVJGFFH-UHFFFAOYSA-N 351.414 0.786 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)N3CCN(CCOC)CC3)cnn2c1 67817850 KSKRLEKPXSNDDI-UHFFFAOYSA-N 374.489 0.975 0 50 FCAA CCOC(=O)c1ccccc1NC(=O)N1CCC2(CC1)NCCNC2=O 67817940 HCRHXNYZAQFOJM-UHFFFAOYSA-N 360.414 0.949 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCNC(=O)c1ccc(F)cc1 67909467 PCOIXWTZGGJAAW-KBPBESRZSA-N 350.394 0.010 0 50 FCAA CCCn1cnnc1CNC(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 72144015 XVAHYAZHPCVNCK-ZDUSSCGKSA-N 350.467 0.541 0 50 FCAA CC(C)CC(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72481019 XQKBNFRXOIJADV-CVEARBPZSA-N 351.472 0.938 0 50 FCAA O=C(Cn1cnc2ccccc2c1=O)NCCNC(=O)c1cccnc1 75912557 AWNZIILHZIKVTR-UHFFFAOYSA-N 351.366 0.338 0 50 FCAA CC(C)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)[C@@H](C)C1=O 77321631 IZNOZRCDMAQLKM-NSHDSACASA-N 371.434 0.802 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)c3cccn(C)c3=O)CC2)cc1 77353847 PZBWAVGBKZAJFU-UHFFFAOYSA-N 355.394 0.992 0 50 FCAA CNc1nc(NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)ncc1F 77356905 JOQUIKOXDWEIIB-LBPRGKRZSA-N 363.397 0.459 0 50 FCAA COc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1(C)C 77565727 ZTMHWIYPCUAYNG-UHFFFAOYSA-N 358.398 0.813 0 50 FCAA CSCC[C@H](O)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 82107085 UXRDEXGIMHHTLL-ZDUSSCGKSA-N 355.464 0.111 0 50 FCAA Nc1nnnn1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91305788 STSNFJQSGUVEFP-DZGCQCFKSA-N 359.409 0.517 0 50 FCAA COCCCNC(=O)c1ccc(S(=O)(=O)NCc2cnn(C)c2)cc1 91892714 SVEIWEZXBOABIA-UHFFFAOYSA-N 366.443 0.665 0 50 FCAA Cn1cccc1C(=O)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 91987031 YTWGFZREJXPBOG-UHFFFAOYSA-N 369.425 0.658 0 50 FCAA CN(C)CCN1C[C@H](C(=O)N(C)Cc2cnc3ccccc3n2)CC1=O 95355403 MZGBLVYJACLBFH-CQSZACIVSA-N 355.442 0.998 0 50 FCAA CCN(C)C(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)CC)c1 95360512 IZJNAUUOISJCRT-UHFFFAOYSA-N 362.473 0.492 0 50 FCAA Cn1c(C(=O)N2CCC[C@H](OCc3cccnc3)C2)cc(=O)n(C)c1=O 95524276 YAPVRJDSJHQVHW-AWEZNQCLSA-N 358.398 0.300 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2oc(C)nc2C)CN1C(=O)CSC 96166499 QOSQJCXSCAJEGS-NEPJUHHUSA-N 368.459 0.490 0 50 FCAA Cc1n[nH]c(-c2ccc(S(=O)(=O)N[C@@H]3[C@@H](N)[C@H]4CCO[C@H]43)o2)c1C 219106633 XUPOOUSQNFRZGO-OCCNTAHWSA-N 352.416 0.679 0 50 FCAA NC(=O)c1cccnc1N1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 220001613 UJKJQKSGSSSPII-HNNXBMFYSA-N 358.373 0.702 0 50 FCAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCCCn2nc(C)nc2C)n1 223293507 NCFISILEVRZJQW-JTQLQIEISA-N 350.448 0.974 0 50 FCAA CN(C(=O)[C@@H]1CC(=O)N(c2cccc(O)c2)C1)C1CCS(=O)(=O)CC1 244795568 RIXLZCWWLGXXDD-GFCCVEGCSA-N 366.439 0.781 0 50 FCAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 247722334 BLKNOEDDSJAVEH-CYDGBPFRSA-N 359.492 0.579 0 50 FCAA biogenic C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](CN(C)CC(=O)O)C1 275623213 JGJPQFUXQRIGFJ-IUODEOHRSA-N 354.378 0.837 0 50 FCAA Cn1c(=O)n(CC(=O)N2CC[C@H](CS(C)(=O)=O)C2)c2ccccc21 292093108 LGAWVMYICOLGGC-LBPRGKRZSA-N 351.428 0.233 0 50 FCAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCc2c(ncn(C)c2=O)C1 328632133 RPXJIYJFDXYEQP-UHFFFAOYSA-N 365.459 0.386 0 50 FCAA CN(C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1CCS(=O)(=O)C1 328887794 PSSLJUSZIKEPMU-ZDUSSCGKSA-N 367.475 0.648 0 50 FCAA O=C(c1cc(=O)nc2sccn12)N1CCC[C@@H](c2ccn(CCO)n2)C1 426361104 DPUIRHFKEOQZBX-GFCCVEGCSA-N 373.438 0.965 0 50 FCAA COc1ccc(NC(=O)NCCN2CCNC2=O)cc1NS(C)(=O)=O 426386994 BKWCOXADHSWQST-UHFFFAOYSA-N 371.419 0.213 0 50 FCAA Cc1ccc2oc(=O)n(CC(=O)NCCS(=O)(=O)N3CCCC3)c2c1 426389216 FTNBHVRDBMFLDF-UHFFFAOYSA-N 367.427 0.445 0 50 FCAA Cn1nc(C(N)=O)c2c1CCN(C(=O)NCCc1cn3ccsc3n1)C2 426445430 BYRUSTCONNAPRN-UHFFFAOYSA-N 373.442 0.539 0 50 FCAA Cc1cccc(N2CCC(NC(=O)N3CCNC(=O)[C@@H]3CCO)CC2)c1 426478079 USZIVTUEHCIOAE-KRWDZBQOSA-N 360.458 0.856 0 50 FCAA NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1 426618105 JHNDBAWAFSAGLM-NSHDSACASA-N 355.464 0.499 0 50 FCAA CN(CCc1nc2ccccc2[nH]1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 670460383 UUBIUBDFVYNUHI-NSHDSACASA-N 357.457 0.554 0 50 FCAA CN(CC(=O)NCc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 670473061 DRGDUOPTTNGFIK-NSHDSACASA-N 354.457 0.426 0 50 FCAA CC1(C)CCC[C@@H](CS(=O)(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)O1 908153942 SDMRXZINDUEUOE-RWMBFGLXSA-N 351.490 0.783 0 50 FCAA CN1CCN(CCCOc2ccccc2CN2CC[C@H](N)[C@@H](O)C2)CC1 1565512741 BOSACGMZTVWTII-OALUTQOASA-N 362.518 0.597 0 50 FCAA CN1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H](c2cncn2C)C1 1775960038 OPEKLXUUQSAFDI-ZIAGYGMSSA-N 358.450 0.280 0 50 FCAA Cn1cc(CN2CC[C@@H](NCc3ccc4c(n3)CCC4)C2)c(C(N)=O)n1 1775961708 UBCWWUQPNMBZIV-MRXNPFEDSA-N 354.458 0.767 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)C[C@H]1O)c1cnccn1 2100485512 NSFZDEORPGVQMO-YSVLISHTSA-N 372.400 0.844 0 50 FCAA Cn1nnc(C[C@H](NCc2ccccc2OC[C@H]2CCCO2)C(=O)O)n1 2325829889 VMKYVNXGDXXVCL-KGLIPLIRSA-N 361.402 0.553 0 50 FCAA C[C@@]1(O)CCOC2(CCN(C(=O)Cn3nc4ccccc4n3)CC2)[C@H]1O 2356157536 KDDDCQLNNWKVKP-DLBZAZTESA-N 360.414 0.325 0 50 FCAA CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 807337 MKWCESCCLPSKSV-UHFFFAOYSA-N 355.416 0.266 0 50 FCAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCN(Cc2cccnc2)CC1 11934282 MHMGDSCNPAXNKQ-UHFFFAOYSA-N 372.477 0.253 0 50 FCAA COCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 12855750 FAAQKGLEZLXQOM-UHFFFAOYSA-N 358.416 0.092 0 50 FCAA Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)n1 19794922 HITFUBROZFSATJ-MRXNPFEDSA-N 361.490 0.989 0 50 FCAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1C(=O)c1cccc2c1OCC2 71757021 PWIJAPDDHJLRFB-AWEZNQCLSA-N 354.366 0.827 0 50 FCAA O=C1CC[C@]2(CCCN(C(=O)Cc3ccc(CO)cc3)C2)CN1CCO 77453658 IRFLNLAEWPWCIB-FQEVSTJZSA-N 360.454 0.945 0 50 FCAA O=C(CCCn1cncn1)N1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82114569 IHKSPKFFKOGHFX-SFHVURJKSA-N 363.462 0.672 0 50 FCAA Cc1[nH]nc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1C 91707364 GEZYACOMDOEGAY-HZPDHXFCSA-N 350.463 0.358 0 50 FCAA CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2n[nH]c(=O)[nH]2)c1 95353641 PAKGQPQATFNOTP-JTQLQIEISA-N 367.431 0.495 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1C(=O)Cc1cnccn1 96160428 UZHSGQPRMKMOOE-OLZOCXBDSA-N 373.438 0.226 0 50 FCAA NC(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)nn1-c1ccccc1 171835903 PKPDGLUPTGVVEO-HNNXBMFYSA-N 367.409 0.854 0 50 FCAA O=C(NC[C@@H](O)COc1ccccc1Br)[C@H]1CNCCO1 187944636 RSAUPZRHSAXUJL-ZWNOBZJWSA-N 359.220 0.293 0 50 FCAA Cn1c(CCC(=O)N2CC[C@@H]3NCCC[C@@]3(CO)C2)nc2cccnc21 215072695 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Cc1cc(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)nc(-c2cccnc2)n1 65410751 GNPBCUCHTMFBHQ-IRXDYDNUSA-N 354.458 0.644 0 50 FCAA c1ccc(-c2nc3c(c(NCCCc4nnn[nH]4)n2)CCNCC3)nc1 72435417 HQYDAHPTDYHYSU-UHFFFAOYSA-N 351.418 0.785 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4ccccc4C2)[C@@H]3C1=O 77342850 RQVLMTMPQKXDQW-UGNRZPKXSA-N 368.433 1.000 0 50 FCAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2cc[nH]c2)CC1 77505606 MEELWRYTSGTFBM-UHFFFAOYSA-N 358.446 0.995 0 50 FCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3CC34CCC4)cc2C1 82096865 YALQOCMPAOWPIN-CQSZACIVSA-N 352.460 0.855 0 50 FCAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2c[nH]c(=O)[nH]2)C1 91452439 RMHHFMWYHPXJQC-GFCCVEGCSA-N 372.429 0.773 0 50 FCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1N1CCNC1=O 91695281 WIIKCSFUJWDGDY-UHFFFAOYSA-N 366.443 0.242 0 50 FCAA COCCN1C[C@@H](CNC(=O)Cn2nc(C)c3ccccc3c2=O)CC1=O 91738010 MSOFTNNRDOBJLW-CQSZACIVSA-N 372.425 0.316 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ncoc2C)CN1C(=O)CSC 96152366 HXQBFQIKBRXDJA-MNOVXSKESA-N 354.432 0.181 0 50 FCAA Cn1c(=O)cc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c2ccccc21 216084202 XOEDQJGUCWCOTL-CYBMUJFWSA-N 356.426 0.466 0 50 FCAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(S(N)(=O)=O)CC1 219340436 PIBFVQMCSSNMNF-SECBINFHSA-N 365.814 0.594 0 50 FCAA O=S(=O)(N1CCOCC1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 220197778 MOMRIDIWBISBHT-MRXNPFEDSA-N 370.475 0.499 0 50 FCAA CSCc1noc(CNC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n1 247511388 IJSBATAGWSGFQS-RYUDHWBXSA-N 367.475 0.397 0 50 FCAA COCC(=O)N1CCN(C/C=C/c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247870448 ZCYNXGAZFUPQFF-VBXGELDYSA-N 364.467 0.656 0 50 FCAA O=C(CN1CCOC1=O)N[C@H]1C[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 253534768 AWKCLSBKUDZNEY-TXEJJXNPSA-N 361.402 0.597 0 50 FCAA C[C@H](CCNS(=O)(=O)c1cnc2nc(O)nc(O)c2c1)CC(=O)O 275018810 OJOGVJLYWCOISB-SSDOTTSWSA-N 356.360 0.215 0 50 FCAA O=C(CSCCN1CCCC1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299764992 XKKHSJMJIVTOFE-LSDHHAIUSA-N 351.476 0.779 0 50 FCAA Cc1cc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)n(CC(C)C)n1 299775096 JVGDBMZWTCBTCS-CYBMUJFWSA-N 373.479 0.629 0 50 FCAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299787598 PLKBGNDTJKGGNT-HOTGVXAUSA-N 366.381 0.743 0 50 FCAA CC(=O)N1CCN(C(=O)CN2CCNC(=O)[C@H]2CC2CCCCC2)CC1 333892729 XNKQTISBAGYDEH-QGZVFWFLSA-N 364.490 0.448 0 50 FCAA COc1cccc(C(=O)N2CCN(c3nc[nH]n3)CC2)c1OCCCN 426432168 ZMIMTZSNDFXQQN-UHFFFAOYSA-N 360.418 0.503 0 50 FCAA CNC(=O)CCc1ccccc1NC(=O)NCCN(C)S(C)(=O)=O 426511594 HMTCRWPRLTUZMZ-UHFFFAOYSA-N 356.448 0.378 0 50 FCAA Cc1cc(C)c2nonc2c1S(=O)(=O)NCCCN1CCC[C@H](O)C1 670472786 LDKUNUKKEJEKLL-ZDUSSCGKSA-N 368.459 0.965 0 50 FCAA CCN1CCO[C@@H](CNC(=O)Cn2ccccc2=O)[C@@H]1c1ccnn1C 886066141 QJRYUSXNZUVJKJ-YJBOKZPZSA-N 359.430 0.160 0 50 FCAA CO[C@@H]1C[C@H](CNCc2ccc(C(=O)N(C)C)[nH]2)N(c2ccncn2)C1 952887056 KBTXJSFPBPWHAH-HUUCEWRRSA-N 358.446 0.890 0 50 FCAA Cn1cc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cn1 1529104851 VCAMIXGGIIJWCV-SJORKVTESA-N 355.398 0.562 0 50 FCAA Cc1noc(C)c1CN1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565505896 KSVRDGZZIWSGEH-CABCVRRESA-N 363.443 0.569 0 50 FCAA CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)cn1 1565516312 XQUWZCGMNDSEDM-KGLIPLIRSA-N 362.459 0.983 0 50 FCAA COc1cc(N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)[nH]c(=N)n1 1857698850 LCWYOZSPIWJNMD-GOSISDBHSA-N 371.445 0.944 0 50 FCAA CS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1 1857728621 JORAKJADKXUMHH-KKUMJFAQSA-N 368.455 0.044 0 50 FCAA C[C@H](CNS(=O)(=O)c1cccc(=NCCOCCF)[nH]1)N1CCCC1 1875335922 LTVNYGWGZCPMPN-CQSZACIVSA-N 374.482 0.664 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)NCC2CN(S(=O)(=O)CC)C2)cc1 1875371871 OJEHIEMPEOGEQU-UHFFFAOYSA-N 365.455 0.847 0 50 FCAA Cc1cccn2ncc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)c12 1940195801 NRLLUUGRNZVTPK-GXTWGEPZSA-N 366.443 0.279 0 50 FCAA CC1(NC(=O)CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2325897026 MQNWNEGAJKPUIJ-CQSZACIVSA-N 370.409 0.528 0 50 FCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)C1 6488921 YHMVZSQMXAVMIT-CMPLNLGQSA-N 371.381 0.907 0 50 FCAA CCOc1ccccc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 10111390 IGBLJCAULMCMQI-UHFFFAOYSA-N 357.476 0.919 0 50 FCAA CC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 15080002 IXNOQNSQFBCTIO-KRWDZBQOSA-N 369.506 0.879 0 50 FCAA Cc1cc(-c2n[nH]c3c2CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC3)no1 23337732 JZVPLXGWWGPPBG-UHFFFAOYSA-N 370.369 0.116 0 50 FCAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 41241733 PYWUKFVJYNSWKP-CQSZACIVSA-N 371.437 0.991 0 50 FCAA Nc1nc(N2CCN(Cc3ccc(-n4cncn4)cc3)CC2)cc(=O)[nH]1 65403454 IQMCREKTXJGAIB-UHFFFAOYSA-N 352.402 0.255 0 50 FCAA Cc1cccc(C(=O)N2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)n1 67774567 HAFGKQCAXHHWST-CYBMUJFWSA-N 358.402 0.181 0 50 FCAA CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 72478866 GLCCMMCOBQUQCQ-KGLIPLIRSA-N 356.831 0.810 0 50 FCAA N[C@H]1CN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@@H]1c1ccccc1 91551768 OSTCECCVMQSJDV-SJORKVTESA-N 353.426 0.880 0 50 FCAA CN(C)c1nc(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)cs1 91943893 FVBNHBCPSDREER-UHFFFAOYSA-N 358.420 0.926 0 50 FCAA Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@H](CO)[C@H](CN(C)CCN(C)C)C1 91985636 CYXBIBQYOAZAOQ-HZPDHXFCSA-N 364.490 0.166 0 50 FCAA Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN(C3CCOCC3)C2)c(=O)n1 95370071 WZYARYSDNQGBQG-MRXNPFEDSA-N 362.474 0.867 0 50 FCAA COCCN1CCC[C@]2(CCN(S(=O)(=O)c3c(C)noc3C)C2)C1=O 95370133 FZHLBMQCSYEOLC-MRXNPFEDSA-N 371.459 0.941 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CC[C@H]4CNC[C@H]43)ccc21 95371878 MBGXCQGOKSACHE-WMLDXEAASA-N 355.442 0.844 0 50 FCAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CC[C@H](N)C3)c2)CC1 95526435 ZFWWKSCHQYBIIX-AWEZNQCLSA-N 367.471 0.663 0 50 FCAA CN1CCN(c2ccc(NC(=O)NCCN(C)S(C)(=O)=O)cc2)C1=O 95527963 GKEPQRDCOMBQFY-UHFFFAOYSA-N 369.447 0.571 0 50 FCAA Cn1nncc1S(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 170617501 XSFKJSRJJJWVPL-UHFFFAOYSA-N 353.795 0.909 0 50 FCAA O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H](c1ccccc1)n1cnnn1 219327747 APNCIKQMUJMJIY-INIZCTEOSA-N 361.365 0.815 0 50 FCAA CSCC[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccco2)C1=O 252523277 CGKKXCINGCIIBC-DGCLKSJQSA-N 369.443 0.915 0 50 FCAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCc4ncnc(O)c4C3)n2C)C1 253535798 QRZSYAWAMJFADZ-HAQNSBGRSA-N 357.418 0.251 0 50 FCAA O=C(CCn1cncn1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 299792075 DWSRPKFOCSMFJZ-NQKNOSNGSA-N 366.469 0.352 0 50 FCAA COCCN1C(=O)C[C@@H](CNc2cncc(C(=N)O)n2)[C@@H]1c1cnn(C)c1 328615749 ZBBVJBCGRLRHAL-MEDUHNTESA-N 373.417 0.742 0 50 FCAA O=C([C@@H]1COCCN1CC1CCC1)N1CCC(N2CCNC2=O)CC1 372140805 SBOAFXPFHGZSKS-INIZCTEOSA-N 350.463 0.504 0 50 FCAA CNC(=O)c1cccc(CNC(=O)[C@@H]2COCCN2CC(F)(F)F)c1 376627879 LZLIMCGATMHZOO-ZDUSSCGKSA-N 359.348 0.926 0 50 FCAA Cn1cnn(CC(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)c1=O 423580563 SGPSCKBJDDXZMN-AWEZNQCLSA-N 361.471 0.814 0 50 FCAA NCCOc1cccc(C(=O)N2CCCO[C@@H](CN3CCOCC3)C2)c1 426677931 YPNQHTRONCFKGB-SFHVURJKSA-N 363.458 0.587 0 50 FCAA NS(=O)(=O)CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 670461305 XTOGDHGOSGRVLB-CQSZACIVSA-N 357.451 0.975 0 50 FCAA Cc1cc(CC(=O)NC[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)on1 827861495 IORPIZGRFTWGLB-AWEZNQCLSA-N 370.475 0.694 0 50 FCAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CN2CCCS2(=O)=O)C1 888103132 IZBPWJFBCYHUGP-OLZOCXBDSA-N 356.448 0.350 0 50 FCAA Cn1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C(F)=C3CCCC3)C2)n(C)c1=O 952848416 GRRQCBUKMQBADC-YNEHKIRRSA-N 352.410 0.887 0 50 FCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)NCc2noc3c2CCCC3)n1 952888174 LWPRVISGDPLNKV-CYBMUJFWSA-N 359.430 0.784 0 50 FCAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnc3nc[nH]n3c1=O)C2 1073372436 ULSZZXASTAVWTO-KBPBESRZSA-N 356.430 0.920 0 50 FCAA Cc1cc(C(=O)N2CCCN(C(=O)Cc3nonc3C)CC2)nc(C)n1 1529112856 SIJXBKRLBZCKLU-UHFFFAOYSA-N 358.402 0.702 0 50 FCAA Cc1cc(=O)cc(C(=O)N2CCCN(C(=O)[C@H](C)N3CCCC3)CC2)[nH]1 1529189969 CFWCBBVORUSULR-HNNXBMFYSA-N 360.458 0.842 0 50 FCAA Cc1cc2cccc(C(=O)N[C@H]3CCN(CC(=O)N(C)C)C[C@@H]3O)c2o1 1565528869 ACKBBYSOGNJDLB-HOTGVXAUSA-N 359.426 0.994 0 50 FCAA Cc1cc(C[C@@H]2CN(c3nccc(N4CCC(O)CC4)n3)C[C@@H]2O)n[nH]1 1704314166 QWMJEFORFCONLP-CJNGLKHVSA-N 358.446 0.509 0 50 FCAA CN1CCC[C@]2(CO)CCN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]12 1704324736 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Cc1ccccc1CCNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 2100545117 PYOCFJFREPWKQJ-USXIJHARSA-N 356.426 0.946 0 50 FCAA CCN(CCNC(=O)CN1CCS(=O)(=O)CC1)Cc1ccccc1 2325861338 NBPASZUQMQIZJJ-UHFFFAOYSA-N 353.488 0.355 0 50 FCAA CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)C(=O)O 2325895867 LKRUNMZIUICADS-CHWSQXEVSA-N 373.365 0.041 0 50 FCAA CC1(C)S[C@H]([C@H](NC(=O)COc2ccccc2)C(=O)O)N[C@H]1C(=O)O 1621018 FJTUHYOOCYRLJI-RWMBFGLXSA-N 368.411 0.529 0 50 FCAA biogenic,in-vitro COc1ccc(OC)c(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 4945137 MIVIHGDIEQJKRU-UHFFFAOYSA-N 357.370 0.982 0 50 FCAA CCS(=O)(=O)N1CCC(C(=O)N2N=CC[C@]2(O)C(F)(F)F)CC1 6488917 FADGJZLXZRLKGL-NSHDSACASA-N 357.354 0.517 0 50 FCAA O=C(c1cccc(N2CCNC2=O)c1)N1CCN(c2ncccn2)CC1 45856992 MVHDYWJYGNEDTD-UHFFFAOYSA-N 352.398 0.969 0 50 FCAA CCc1n[nH]c(SCC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)n1 55131180 JYYKYOLOTBPHJO-LBPRGKRZSA-N 367.475 0.699 0 50 FCAA Cc1ccc(CN(CCN(C)C)C(=O)Cn2nc(O)ccc2=O)s1 55308818 VDACHJCKIAWFLY-UHFFFAOYSA-N 350.444 0.909 0 50 FCAA O=C(O)c1cn(C[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)nn1 67515269 AHVIGVGEGFQSQE-GFCCVEGCSA-N 354.374 0.869 0 50 FCAA O=c1[nH]c(-c2ccncc2)nc2c1CCN(S(=O)(=O)N1CCCC1)C2 71768075 MQWBIFOSNSUZDS-UHFFFAOYSA-N 361.427 0.531 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1scc3c1OCCO3)C2 72168798 ZJFSEMFUKVBEJV-UHFFFAOYSA-N 362.411 0.867 0 50 FCAA Cc1ccc(CN2CCN(c3cc(NCCO)ncn3)C[C@@H]2CCO)o1 72434790 QIFWUFAVBVLXIU-HNNXBMFYSA-N 361.446 0.855 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]3C1=O 77298155 VAJDGQBWYOBFFN-AFIMGQEJSA-N 361.398 0.370 0 50 FCAA O=C1CC[C@@]2(CCCN(C(=O)C3(Cn4cccn4)CC3)C2)CN1CCO 77342884 CLXISVYRZDQDFO-SFHVURJKSA-N 360.458 0.887 0 50 FCAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccc(=O)cc1)CC2 91663781 NODLQBLLUXSJHU-UHFFFAOYSA-N 369.425 0.494 0 50 FCAA CCn1nc(C(C)C)cc1C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 91746864 GBQYDRKTFCNOAD-LBPRGKRZSA-N 358.464 0.417 0 50 FCAA CCN1C[C@@H](NC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)CC1=O 95387922 QGFDDBPUTMHYBG-AWEZNQCLSA-N 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369.491 0.151 0 50 FCAA CCN1CCN([C@@H](C)CNc2cc(N3CCN(C)C(=O)C3)ncn2)CC1 302216774 IYXHFYXOJDBKON-HNNXBMFYSA-N 361.494 0.193 0 50 FCAA CC(C)[C@H]1OCCC[C@@H]1N=c1cc[nH]c(=NCCCNS(C)(=O)=O)[nH]1 328622038 AXJDAXIJJJXMJM-DZGCQCFKSA-N 371.507 0.287 0 50 FCAA C[C@H](C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1)n1cccn1 329376820 LPHMKQXSWVSEPK-DGCLKSJQSA-N 357.374 0.828 0 50 FCAA CC[C@H](NC(=O)N1CCC(c2nc(C)no2)CC1)C(=O)N1CCOCC1 363317507 CCVOEOBHNCRBIF-AWEZNQCLSA-N 365.434 0.904 0 50 FCAA Cn1cncc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670454647 FWZPWHICYXQTBC-RVSXGSNBSA-N 351.454 0.718 0 50 FCAA O=C(Cc1c[nH]c2cnc(Cl)cc12)NCCN1CCCS1(=O)=O 931175469 NOVKLUOESOKACN-UHFFFAOYSA-N 356.835 0.911 0 50 FCAA Cc1cc(C)n(CCC(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)n1 1704309594 YBCFESVTESPQIM-GJZGRUSLSA-N 350.419 0.134 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc2ncccc12 1704339847 YJXLXCBYJCNKOL-LRDDRELGSA-N 363.439 0.871 0 50 FCAA CS(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1 1704354888 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CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC 19821018 DQPLBUFORLRXEU-WFASDCNBSA-N 361.485 0.943 0 50 FCAA CCOC(=O)C(=O)Nc1cc(NC(=O)C(=O)OCC)cc(C(=O)O)c1 39333559 LGSOOGJMJMQFBY-UHFFFAOYSA-N 352.299 0.388 0 50 FCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H]1CNCCO1)C2 72162299 URVGVUGXFLQWGA-MRXNPFEDSA-N 368.441 0.478 0 50 FCAA COc1ccc([C@H](N)CC(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1OC 72422587 NXHHVQLEIBFOGX-DGADGQDISA-N 364.442 0.684 0 50 FCAA O=C(Cn1cccn1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77389917 LQYZYLXYGIJWEU-SJORKVTESA-N 374.466 0.393 0 50 FCAA O=C(CCCn1cncn1)N1CCN(c2ccc3cn[nH]c3c2)C(=O)C1 82108561 UVORGZRWOSTQNG-UHFFFAOYSA-N 353.386 0.810 0 50 FCAA O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CCOC1)C2)N1CCOCC1 91425506 XUCDTAHUYKKNRV-INIZCTEOSA-N 362.474 0.917 0 50 FCAA COc1ccc([C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H]2NC(C)=O)cc1 216935199 FPPZREWEEOCJFR-SJORKVTESA-N 370.409 0.383 0 50 FCAA C[C@@H]1CCCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 242038623 VMOGPJALMVVYGE-BZUAXINKSA-N 358.504 0.913 0 50 FCAA CC(=O)N1CC[C@@H](NC(=O)Cn2c(C)cc(=O)c3ccccc32)[C@H](O)C1 244708150 KORHWVXCPRSPCU-CRAIPNDOSA-N 357.410 0.408 0 50 FCAA Cc1cc(S(=O)(=O)NCC(=O)N[C@@H](C)Cn2cncn2)ccc1F 244758142 OTCCYURWKZKLTH-NSHDSACASA-N 355.395 0.209 0 50 FCAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC)c(O)c1 253471286 OQCPDBCXZWKTIR-JTQLQIEISA-N 363.370 0.530 0 50 FCAA O=C1CN(c2cc(N3CCC[C@H]3CO)ncn2)CCN1CC(F)(F)F 286261666 FCDXVLPTBBINQQ-NSHDSACASA-N 359.352 0.649 0 50 FCAA CC1(C)C[C@@H](CN2CCn3nc(CNS(C)(=O)=O)cc3C2)CCO1 299791333 CYBWVNZDBNYULK-ZDUSSCGKSA-N 356.492 0.953 0 50 FCAA NC(=O)c1cccnc1N1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 299798917 PHPBAANEDCGPLC-ZDUSSCGKSA-N 354.414 0.801 0 50 FCAA Cn1cc(N2CCC[C@H](N3CCC[C@@H](c4ccnc(N)n4)C3)C2=O)cn1 330275437 LMYKBIQOVWNWLF-CJNGLKHVSA-N 355.446 1.167 0 50 FCAA CC1(C)NC(=O)N(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)C1=O 363701275 ZIGJIESDLRXZAT-UHFFFAOYSA-N 362.386 0.285 0 50 FCAA COCC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C(=O)OC 408516958 RYECDVJSFGWKBG-GFCCVEGCSA-N 358.416 0.674 0 50 FCAA CCn1c(C)ccc(C(=O)N2CCC(c3nnc(CO)n3C)CC2)c1=O 426373851 RLWMLGWRQBJJMD-UHFFFAOYSA-N 359.430 0.817 0 50 FCAA COCCc1noc([C@@H](C)NC(=O)N2CCN(c3cnccn3)CC2)n1 426551413 ZNZOCPMHTXYQTO-GFCCVEGCSA-N 361.406 0.641 0 50 FCAA Cc1ccc2nc(CNC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 476904816 UFKWJRLJAXPORD-LBPRGKRZSA-N 350.444 0.606 0 50 FCAA CCc1cc(N2CCN(C(=O)N[C@@H](COC)c3ccnn3C)CC2)ncn1 534577308 OZKLELCEDGJIBC-HNNXBMFYSA-N 373.461 0.992 0 50 FCAA CC(C)N1C[C@@H](NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1=O 821735056 KAPGIWZZLCJEFR-JTQLQIEISA-N 353.400 0.419 0 50 FCAA NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)OC23CCCC3)cc1 828244483 BDLROHLRBPKWKG-ZDUSSCGKSA-N 352.412 0.826 0 50 FCAA Cc1cnn(C[C@H](C)NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1 888093644 MJIPTSIXJZDYMQ-WMLDXEAASA-N 351.451 0.595 0 50 FCAA CCc1cc(C(=O)NC2(C)CN(C(=O)c3cc(CC)nn3C)C2)n(C)n1 913834841 RHHGWDMOXDVKMF-UHFFFAOYSA-N 358.446 0.923 0 50 FCAA Cc1cn2c(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3NS(C)(=O)=O)csc2n1 1074611683 SIZLAKJVARMWPX-IELRGYKMSA-N 370.456 0.139 0 50 FCAA C=CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1460324250 IPNAPYLWJHJPRA-CQSZACIVSA-N 351.428 0.917 0 50 FCAA Cc1noc(C)c1CN1CC[C@H](NC(=O)Cn2cnc(C)c2C)[C@@H](O)C1 1565506523 MDKXZENCYPMDIX-IRXDYDNUSA-N 361.446 0.856 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc2ncccc2c1 1704301248 QZIXMRDYLDAXQG-GOEBONIOSA-N 363.439 0.871 0 50 FCAA CCS(=O)(=O)N1CCCN(C(=O)Cn2nc3ccccc3n2)CC1 1772810296 KEWDKVODHIEMEN-UHFFFAOYSA-N 351.432 0.315 0 50 FCAA CCCSCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H]21 1775992657 TXFKLPYVUBGOMM-UNJBNNCHSA-N 370.519 0.786 0 50 FCAA COc1cc(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)cc(OC)c1O 1857693525 AOUDXCNOCRLWID-RDTXWAMCSA-N 364.398 0.513 0 50 FCAA CN(CC(=O)O)C(=O)CCCN(C)C(=O)c1cccc(-c2cnn[nH]2)c1 1875358252 OYTPXAYEKCOGII-UHFFFAOYSA-N 359.386 0.867 0 50 FCAA Cn1cnnc1CN1CC[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 1875406420 CZNQKKNEDOEOQV-SFHVURJKSA-N 356.430 0.252 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)O)S(=O)(=O)C1)c1sccc1-n1cccc1 2325848153 APOOVYKEZMNRLU-MWLCHTKSSA-N 354.409 0.909 0 50 FCAA O=c1[nH]c(O)ncc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 4303210 FGSWDKWVPJGJPY-UHFFFAOYSA-N 354.363 0.126 0 50 FCAA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN([C@@H]1CCS(=O)(=O)C1)C2=O 4751870 GTORYNOJCSAPLG-IUODEOHRSA-N 361.423 0.666 0 50 FCAA CCc1nc(NC(=O)c2ccc(CN3CCNC(=O)[C@H]3C)cc2)nn1C 65488104 JLMMEFCZQIHJFN-GFCCVEGCSA-N 356.430 0.950 0 50 FCAA CCCN1CC[C@H]2N(C(=O)CCc3ccc(=O)[nH]n3)CCC[C@]2(CO)C1 72126569 SAZPBPJWJOLCIG-VQIMIIECSA-N 362.474 0.788 0 50 FCAA COc1cc(CN2CCC[C@@](O)(CN(C)C)C2)ccc1OCC(N)=O 72418193 QCDHZGZFMQLFAI-GOSISDBHSA-N 351.447 0.448 0 50 FCAA CN1CCCN(C(=O)C[C@H]2COCCN2Cc2cccc3nonc23)CC1 72430047 CNJISFUMOOIMHY-INIZCTEOSA-N 373.457 0.978 0 50 FCAA O=C1CN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)CCN1 77337984 UVHIOPOKFZBIEU-REGYPHIPSA-N 373.453 0.450 0 50 FCAA COc1cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)ncn1 77456643 FEVSTJYKNFRNEN-UHFFFAOYSA-N 373.461 0.830 0 50 FCAA Cc1nn(CC(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)c(C)c1C 77487921 IUDJBCZPFOTWNV-HNNXBMFYSA-N 358.446 0.545 0 50 FCAA CCC[C@@H]1CN(C(=O)c2n[nH]c3c2CN(C)CC3)C[C@H]1NS(C)(=O)=O 82098647 WIJMKABDWPDDAP-BXUZGUMPSA-N 369.491 0.188 0 50 FCAA Cn1cc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cn1 91678173 ZNWIAMSIOSCUDW-JKSUJKDBSA-N 368.441 0.906 0 50 FCAA COCCN(C)CC(=O)N[C@H]1CN(c2ccnc(N)n2)C[C@@H]1C(C)C 91893772 AFSXDOSYHQTHFO-KGLIPLIRSA-N 350.467 0.214 0 50 FCAA CCS(=O)(=O)N[C@H]1CN(CC(C)(C)N2CCOCC2)C[C@@H]1C1CC1 91965101 YZHCCHFDRLFJKQ-CVEARBPZSA-N 359.536 0.747 0 50 FCAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C(=O)O)c3)CC2)C1 95363731 VCSGXSRRUVHHLZ-CQSZACIVSA-N 360.414 0.824 0 50 FCAA Cc1nnnn1CC(=O)N1CCC[C@@H](c2nccn2CCCN(C)C)C1 95496724 XTSOHIDLYUXJAK-OAHLLOKOSA-N 360.466 0.536 0 50 FCAA COC(=O)c1ccc(OC)c(NC(=O)NCCN(C)S(C)(=O)=O)c1 95530632 KBRNSHYHSQRBAU-UHFFFAOYSA-N 359.404 0.495 0 50 FCAA Cn1ncc2c(N3CCN4CCNC(=O)[C@H]4C3)nc(-c3ccncc3)nc21 106997649 HEIAYXBGXSGQRX-CQSZACIVSA-N 364.413 0.046 0 50 FCAA CN1CC(=O)N(CC(=O)N2CCC[C@H]2CN2CCc3ccccc32)C1=O 140438765 OVIXIMVIYBCTOF-HNNXBMFYSA-N 356.426 0.934 0 50 FCAA COc1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(OC)c1 170618054 OGHIYSDXGLAYBQ-KRWDZBQOSA-N 362.386 0.316 0 50 FCAA Cc1nc2n(n1)C[C@H](NC(=O)CN1CCN(c3ccccn3)CC1)CC2 175921094 SLIDTAISWHDGJY-OAHLLOKOSA-N 355.446 0.235 0 50 FCAA Cc1nn(C)cc1CN1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 220213339 XRLSJWYRKREKPI-HNNXBMFYSA-N 353.448 0.019 0 50 FCAA O=C1CCC(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)=NN1 223338487 YTXVZCZFVSIVAL-HZPDHXFCSA-N 360.414 0.918 0 50 FCAA Cc1cc(N2CCN(CC(=O)N3CCOc4ccccc43)CC2)nc(N)n1 244882579 XULXLLWAOLTERZ-UHFFFAOYSA-N 368.441 0.915 0 50 FCAA C[C@H]1Oc2ccccc2N(CCC(=O)N2CCO[C@@H](CC(=O)O)C2)C1=O 269049730 UZJWUUJDKJHMLO-OLZOCXBDSA-N 362.382 0.893 0 50 FCAA O=C(Cc1ccc2[nH]ncc2c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 280174698 HBVLOBXXCCYDHY-HNNXBMFYSA-N 362.455 0.437 0 50 FCAA CN1CCC(N2CCC[C@H](C(=O)N3CCN(c4nc[nH]n4)CC3)C2)CC1 299758729 LIINCRPPNJQHLZ-HNNXBMFYSA-N 361.494 0.260 0 50 FCAA Cc1nccc(N2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 408213968 FTUUMLNPQZJGFD-UHFFFAOYSA-N 365.235 0.968 0 50 FCAA CCOc1ccc(-n2ncc(C(=O)N3CCOC[C@H]3C(=O)O)c2C)nn1 408513379 VDAVTSCYUCUAFN-LBPRGKRZSA-N 361.358 0.295 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1nnc(N)s1 426478115 YAZQFUCIXUGQRO-ZDUSSCGKSA-N 374.470 0.436 0 50 FCAA Cn1nc(C(N)=O)c2c1CCN(C(=O)NCCc1noc(C3CCC3)n1)C2 584898963 MENJZVBFWCMTNX-UHFFFAOYSA-N 373.417 0.480 0 50 FCAA CN1C[C@@H](NC(=O)N2CCC(OCc3cccnc3)CC2)C[C@H]1C(=O)O 670472881 BGZMNKFFCZTMRS-HOCLYGCPSA-N 362.430 0.930 0 50 FCAA Cc1c(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)cnn1C 858007861 BTFMJUYHZCCMSY-GXTWGEPZSA-N 353.448 0.908 0 50 FCAA CS(=O)(=O)N(CC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1)c1cccc(F)c1 1775982275 NMRZZEVHSJALEP-JJLQDPRZSA-N 356.419 0.821 0 50 FCAA Cc1ncc(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c(O)n1 1857720535 YKRQIEAABWPESC-YYAJDYIMSA-N 355.394 0.700 0 50 FCAA O=C1CCCN1C[C@@H](O)CN(CCO)C[C@H](O)c1ccc(Cl)cc1 1875267266 YOYOODCGYQKJHL-HOTGVXAUSA-N 356.850 0.651 0 50 FCAA COCCn1nc2c(c1C(=O)N1CC(=O)NC(C)(C)C1)C[C@H](C)O[C@@H]2C 1875314606 IPALVYYJVNAAFG-NWDGAFQWSA-N 364.446 0.902 0 50 FCAA O=C(N[C@H]1[C@@H]2CN(C(=O)c3cc(O)nc(C4CC4)n3)C[C@@H]21)[C@H]1CCOC1 1875332277 OCHDXWDKVSENAX-UUIJZJDISA-N 358.398 0.283 0 50 FCAA O=C1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cscn2)CCN1 1875361940 ITOBBKIFJBGCPA-FPMFFAJLSA-N 362.455 0.414 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1O)c1cc(C2CC2)no1 2100478173 XLJPSNOZYKQOJF-NILFDRSVSA-N 373.413 0.503 0 50 FCAA CCc1nn2c(=O)cc(CN3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)nc2s1 2356137414 MJXWCEWPOZYMJW-XREXNNHRSA-N 362.455 0.685 0 50 FCAA O=C1NCCC[C@]12CCCN2S(=O)(=O)c1ccc2c(c1)OCCO2 2356150074 KQAMSWQEEMDGHG-INIZCTEOSA-N 352.412 0.891 0 50 FCAA CN(C)C[C@@H](O)COc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1 5115326 DREYSFUKNSYCCL-SNVBAGLBSA-N 370.417 0.135 0 50 FCAA O=C1NC[C@@]2(C(=O)O)CN(S(=O)(=O)c3cc4ccccc4o3)C[C@@H]12 72435721 VAYHBMKNRHYNKD-ZUZCIYMTSA-N 350.352 0.254 0 50 FCAA COc1ccc(-n2cc([C@@H](C)NC(=O)c3cn(CCN)nn3)cn2)cc1 77407159 JDFGGTJXZWKSAU-GFCCVEGCSA-N 355.402 0.922 0 50 FCAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCN1CCCCC1=O)CC2 91365014 JKTJIRHUZZGPCP-CABCVRRESA-N 353.463 0.106 0 50 FCAA CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2 91574719 OSICWCYZUMUQHX-JTQLQIEISA-N 350.444 0.783 0 50 FCAA Nc1nc(CCC(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)cs1 91848898 CXHSKTAJZYTKQB-UHFFFAOYSA-N 366.487 0.881 0 50 FCAA COc1ccc(OC[C@@H](O)CN(C)C)c(CN2CCN(C)C(=O)C2)c1 95518445 HFMBVYMLLXFDTH-HNNXBMFYSA-N 351.447 0.271 0 50 FCAA COc1ncccc1CN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 193404870 SBLQOJJZLYMTLA-UHFFFAOYSA-N 365.459 0.639 0 50 FCAA CCn1ccc(C(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)n1 252527612 CZOHQTZPACATDU-MJBXVCDLSA-N 356.430 0.940 0 50 FCAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 262749736 MFIFTKHNHAPDEK-BXUZGUMPSA-N 353.444 0.288 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1 263035920 VEALVVPWFPZHQR-ZDUSSCGKSA-N 354.384 0.152 0 50 FCAA Cc1n[nH]c(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)c1Cl 299761981 STVPMPKLGPLINH-UHFFFAOYSA-N 358.855 0.633 0 50 FCAA COCc1noc(CN2CC[C@]3(OC)CC[C@@H](OCC(=O)O)C[C@H]23)n1 299797896 OSIYVAWYDXNABP-BFQNTYOBSA-N 355.391 0.829 0 50 FCAA CN(CC(=O)N1CCN=C1O)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328626214 DWECPYMXEVZCFP-KBPBESRZSA-N 350.398 0.077 0 50 FCAA CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 328866226 WPRVPTWDMPGEIZ-QGPMSJSTSA-N 358.442 0.928 0 50 FCAA O=C(NC[C@H]1CCCS1(=O)=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 332811625 MOJGMYDCRQXZOI-ZIAGYGMSSA-N 372.491 0.543 0 50 FCAA C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1CCOCC1(C)C 365898739 XCNFYYYXLGUACS-INIZCTEOSA-N 368.522 0.992 0 50 FCAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 369510009 OCWAXMTZOBKPEJ-GFCCVEGCSA-N 355.398 1.134 0 50 FCAA Cc1nn(CCCNC(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)c(C)c1C 584887922 PKQPFHMAJSDLHX-SFHVURJKSA-N 363.462 0.841 0 50 FCAA O=C(NCc1cnc2c(c1)CCC2)N1CCN(CCn2cncn2)CC1 584893316 FMCGNXDIOZCYOW-UHFFFAOYSA-N 355.446 0.689 0 50 FCAA CN(Cc1nc(-c2ccccc2)nn1CCO)[C@@H]1CCS(=O)(=O)C1 828776623 AWIVWUZJFHDQRK-CQSZACIVSA-N 350.444 0.556 0 50 FCAA Cc1cc2[nH]cc(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4CC3CC3)c(=O)n2n1 1073298712 YXFUWMKXDDDFGL-KGLIPLIRSA-N 369.425 0.804 0 50 FCAA COc1nnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)s1 1454455592 CVJSMHNEIYPEHD-JTPBWFLFSA-N 352.372 0.036 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3nncn3C(C)C)C[C@H]2C1 1565509000 AHQKZJCIISQLQF-YOEHRIQHSA-N 351.451 0.291 0 50 FCAA CC(=O)N[C@H]1CN(C(=O)CCn2ccc(O)nc2=O)C[C@@H]1c1ccc(C)o1 1565513339 WQYQEVJCUHTUOU-KBPBESRZSA-N 374.397 0.371 0 50 FCAA O=C(Nc1ccc(-n2cncn2)c(Cl)c1)N[C@H]1CS(=O)(=O)C[C@@H]1O 1565516688 KTBFHWUKYOKKPV-JQWIXIFHSA-N 371.806 0.200 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)CCO2 1704300250 ZWHKDWGIWYHYGM-KBPBESRZSA-N 354.428 0.258 0 50 FCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2 1704305641 MLOFBIJQXQDWAH-HIFRSBDPSA-N 357.410 0.954 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cnc(O)c(Cl)c1 1704342351 NOOUWKHQZBHGDM-ONGXEEELSA-N 363.823 0.077 0 50 FCAA O=C(O)c1n[nH]c2c1CN(C(=O)[C@@H](Cc1ccccc1)n1cnnn1)CC2 1857672809 HQVAVANMORENLC-CQSZACIVSA-N 367.369 0.463 0 50 FCAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)NCc1nnc2n1CCC2 1857687041 IVIBPANOOWTRPO-LBPRGKRZSA-N 366.429 0.819 0 50 FCAA O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@]12COC[C@H]1CN(CC1CC1)C2 1857691539 PMEDOHCDMHIQPF-VQIMIIECSA-N 368.441 0.841 0 50 FCAA O=C(N[C@H]1CCN(c2ccn3ccnc3n2)C1)c1cc2n(n1)C[C@H](F)C2 1875405905 RHGQYNKYEJDZBT-NEPJUHHUSA-N 355.377 0.829 0 50 FCAA CC1(C)C[C@H](C(=O)N2CC3(C2)OC(=O)NC32CCOCC2)CNC1=O 2325790967 AXZISQFVRKYRLK-NSHDSACASA-N 351.403 0.019 0 50 FCAA CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COC(C)C 633049 CBURXSBBVJFBGJ-LLVKDONJSA-N 353.423 0.055 0 50 FCAA O=C(Cn1nnnc1CN1CCCC1)N1CCN(c2ccc(F)cc2)CC1 11937289 SURGBRGRNDKLMP-UHFFFAOYSA-N 373.436 0.757 0 50 FCAA N[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O 13542455 BAQMYDQNMFBZNA-UHXUPSOCSA-N 372.491 0.411 0 50 FCAA biogenic,in-vitro COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 19853023 WATUIVOJEXYHBH-INIZCTEOSA-N 359.426 0.829 0 50 FCAA CNC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)NC)o3)CC2)o1 20327418 LJEZTEFKXXUHAG-UHFFFAOYSA-N 360.414 0.910 0 50 FCAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccccc1OC 49762618 AXZXJYAYKLHFNT-CVEARBPZSA-N 374.441 0.649 0 50 FCAA O=C1O[C@@H]2CN(c3ncccc3F)C[C@@H]2N1CCCN1CCOCC1 67786517 GNCNBVVVAWHQCI-LSDHHAIUSA-N 350.394 0.952 0 50 FCAA Cc1cccnc1NCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 72140258 QSPMBBYGGAZBTO-INIZCTEOSA-N 371.441 0.902 0 50 FCAA Cc1ncnc(N2CCN(C(=O)[C@H]3CC4(CCNCC4)CN3)CC2)c1C 72149938 JLNVMARJIDYZSP-MRXNPFEDSA-N 358.490 0.474 0 50 FCAA CCCN1CCN(C(=O)CCc2n[nH]c(C)c2C)[C@H]2CS(=O)(=O)C[C@H]21 72435474 AGMKDWCBQGDUEC-CVEARBPZSA-N 368.503 0.679 0 50 FCAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4cnccn4)CC3)nn2)n1 72446886 AFTBYNJLWKVFJO-UHFFFAOYSA-N 350.386 0.723 0 50 FCAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)CCCn3cnnn3)C2)n1C 72458785 GVODSWPHHJIOQV-CYBMUJFWSA-N 361.454 0.050 0 50 FCAA CCN1C[C@@]2(C(=O)O)CN(c3ccc(-c4nc(C)no4)cn3)C[C@H]2C1=O 72468679 JSKPBOURBLTULH-YVEFUNNKSA-N 357.370 0.809 0 50 FCAA CCN1C[C@@]2(C(=O)O)CN(Cc3cnn4c(C)cc(C)nc34)C[C@H]2C1=O 72473623 GPIQGMMWAQDELL-KSSFIOAISA-N 357.414 0.711 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nccn2C)[C@@H]3C1=O 77456685 ZRUPZHFOGFZVDT-PSLQGDIJSA-N 374.441 0.197 0 50 FCAA O=C1C[C@@]2(CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)C2)C(=O)N1 82120953 LLRKJNJDYYPJSA-CQSZACIVSA-N 350.356 0.097 0 50 FCAA COC[C@@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1ccnn1C 91616362 IDKFFAYDOMRBJB-OAHLLOKOSA-N 355.398 0.942 0 50 FCAA Cc1noc(C)c1CC(=O)N1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 91847370 HEWGMKJMSLTVQS-HZPDHXFCSA-N 350.463 0.148 0 50 FCAA Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)O 95372079 RCHWPDWFMNXXNS-LBPRGKRZSA-N 370.402 0.878 0 50 FCAA CCC(CC)n1nc(C)cc1NC(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 97635124 WCRGMWILUJGNKP-YPMHNXCESA-N 362.434 0.773 0 50 FCAA C[C@H](CNC(=O)CCn1c(S)nc2ccccc2c1=O)[S@](C)=O 154881235 OMAUEDAELWAITL-DJNLSKAYSA-N 353.469 0.959 0 50 FCAA CC(C)CCNC(=O)C1CCN(C(=O)CN2C[C@@H](C)[C@H](CO)C2)CC1 190871212 ARGYTYGDXYPPNU-WBVHZDCISA-N 353.507 0.948 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cccn(C)c2=O)cc1 215058200 FIAXPZWHRZCKAC-UHFFFAOYSA-N 363.439 0.792 0 50 FCAA C[C@@H]1CCN(C(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H]2CCCC[C@H]21 230073229 URNZGWIBBCUDIW-RFGFWPKPSA-N 365.430 0.945 0 50 FCAA C[C@H](O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1 230147187 GRRMGVVUVFAQTQ-STQMWFEESA-N 356.444 0.533 0 50 FCAA CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)n1 236929414 WTIIXOMAWGENOY-HZSPNIEDSA-N 351.451 0.939 0 50 FCAA C[C@@H](NC(=O)[C@@H]1CNCCO1)c1cc(F)ccc1N1CCC(O)CC1 237362272 MBFBPZMPJIPSDS-PXAZEXFGSA-N 351.422 0.952 0 50 FCAA CCN1C(=O)[C@@H]2[C@H](c3cc(C)cc(F)c3)N[C@](CO)(C(=O)OC)[C@@H]2C1=O 247872989 MCQCOLHQCCWXOF-NUXNZHGMSA-N 364.373 0.304 0 50 FCAA C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1)[C@@H]1CCCNC1 262519643 XDLRMJYEMBLYNZ-ZIAGYGMSSA-N 368.503 0.888 0 50 FCAA Cc1noc2ncc(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)cc12 266059035 HPJPELZFEVTUKD-UHFFFAOYSA-N 370.369 0.839 0 50 FCAA Cc1noc2ncc(S(=O)(=O)N3CCN(C)[C@H](c4ncc[nH]4)C3)cc12 328637992 WFSBUQSQMPINHG-ZDUSSCGKSA-N 362.415 0.932 0 50 FCAA Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)c2cnnn2C)C1 330050681 MDDGPOLWTYOAJV-GFCCVEGCSA-N 370.504 0.723 0 50 FCAA O=C(CNC1(CO)CCOCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 363509848 BQKMLMGODGMSBK-MRXNPFEDSA-N 352.406 0.857 0 50 FCAA Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1C 1529114272 OEILPANZPCQECN-GOEBONIOSA-N 354.472 0.936 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNc2cc3nncn3c(N)n2)cc1 1529144044 FCRQVQHSUQGQDL-UHFFFAOYSA-N 361.431 0.795 0 50 FCAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)C2 1704312367 ACYQICOWEPSJDP-NEPJUHHUSA-N 367.427 0.083 0 50 FCAA O=C(Cn1cccn1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 1772710142 OOMGJODHFZIEFX-UHFFFAOYSA-N 356.382 0.987 0 50 FCAA Cc1cc(CNC(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)nc(N2CCCC2)n1 1875309164 VSRBBWQBMADACW-CHWSQXEVSA-N 350.444 0.292 0 50 FCAA COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](CNC(=O)C2(O)CC2)C3)n1 1875405113 SOXLXTGHPNSOAO-GUTXKFCHSA-N 359.426 0.972 0 50 FCAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1Nc1nc(O)c2ccccc2n1 2325849434 PLMTXNKBXQSCCA-QWHCGFSZSA-N 353.386 0.854 0 50 FCAA COC(=O)[C@@H](CO)NC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356139683 WCJICSLARKFMSM-LLVKDONJSA-N 354.428 0.163 0 50 FCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3nc(O)n[nH]3)C1)CC2 2356144573 DMLWPJLVZXYAGU-GOSISDBHSA-N 371.445 0.806 0 50 FCAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)c2ccco2)CC1 1049261 ZFNYSDKIMPUCTQ-UHFFFAOYSA-N 367.361 0.860 0 50 FCAA COc1ccccc1C(=O)C[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 1076868 GSBPNWYFIUSLCM-LJQANCHMSA-N 354.362 0.988 0 50 FCAA Cc1ccc(S(=O)(=O)C[C@@H](CN2CCOCC2)N2CCOCC2)cc1 19868862 AMIQBWPCIRTXGU-QGZVFWFLSA-N 368.499 0.802 0 50 FCAA COc1cc(CNCCN(C)C)cc(Br)c1OCC(N)=O 19872017 YWUUFAFEKGFVOT-UHFFFAOYSA-N 360.252 0.973 0 50 FCAA Cc1cc(C)n(CC2(CNC(=O)Cn3ncc(N(C)C)cc3=O)CC2)n1 20449243 LQSHSMHFJLHFTI-UHFFFAOYSA-N 358.446 0.719 0 50 FCAA Cn1ncc(NC(=O)Cn2cc(-c3ccc(SCC(N)=O)cc3)cn2)n1 20541767 FJDQLDFHWKGNIP-UHFFFAOYSA-N 371.426 0.895 0 50 FCAA Cc1nn(CC(=O)O)c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1 55309612 FZMTYONUWBWZPP-UHFFFAOYSA-N 355.358 0.872 0 50 FCAA CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)CN)CC2)OC1=O 77437535 XOYXJUSHNVWKMA-UHFFFAOYSA-N 374.485 0.933 0 50 FCAA Cc1cnccc1N1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1 77518459 PZYKYEWQEHOWCE-UHFFFAOYSA-N 357.414 0.369 0 50 FCAA COCCN1CCN(C(=O)c2cc(C(C)C)on2)[C@H]2CS(=O)(=O)C[C@H]21 82087296 WWLKWWSDVZEGBN-KGLIPLIRSA-N 371.459 0.368 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CN2CCOC2=O)CN1Cc1ccccc1 91270614 UUQWQGZBCDROSV-CVEARBPZSA-N 374.441 0.334 0 50 FCAA CCN(C(=O)c1cc(C(C)C)n2ncnc2n1)[C@H]1CCS(=O)(=O)C1 91462251 RFQVGYKDMXYPGM-NSHDSACASA-N 351.432 0.897 0 50 FCAA Cc1ncsc1CCC(=O)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91663228 NGKNCXGOWKKWEX-HUUCEWRRSA-N 353.488 0.783 0 50 FCAA CNC(=O)c1cc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1OC 96138524 WVDGNKWGXJUBRN-SNVBAGLBSA-N 355.416 0.611 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1Cc2nnc(C)n2[C@@H](C)C1 96151122 BWSXWNPQLAYFFQ-LBPRGKRZSA-N 370.461 0.654 0 50 FCAA COCCc1nc(-c2ccc3nn[nH]c3c2)n([C@H]2CCS(=O)(=O)C2)n1 96163104 CIEGDKSYCSEBNV-NSHDSACASA-N 362.415 0.765 0 50 FCAA COCc1c(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)noc1C 216994682 VUKDRQOXADDSBN-OCCSQVGLSA-N 350.419 0.541 0 50 FCAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(F)c(Cl)c1 218975135 JUOZNVFGYQHEIV-LBPRGKRZSA-N 357.769 0.321 0 50 FCAA COC(=O)c1cn(CCn2cnc3ccccc3c2=O)cc2c(=O)[nH]nc1-2 253414581 XWRMMVYBYRUNBR-UHFFFAOYSA-N 365.349 0.873 0 50 FCAA CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)Cc1ccc2c(c1)OCO2 262256820 WCTIJAYNLXNMBB-CYBMUJFWSA-N 362.382 0.739 0 50 FCAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCOC[C@@H]1c1nnc(C)o1)C2=O 275379703 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COc1cncc([C@H](NC(=O)Cn2cc(C)c(O)nc2=O)[C@H]2C[C@@H](O)C2)c1 253535775 QAVVVAYQBBQCPV-PVXIVEMSSA-N 374.397 0.289 0 50 FCAA Cn1c(O)nc(=O)c2nc(CCC(=O)NCc3ccccc3)c(O)nc21 253630353 KCKJWGWXEPKXHQ-UHFFFAOYSA-N 355.354 0.384 0 50 FCAA Cn1ccnc1[C@H]1CNCCN1C(=O)CCn1nnc2ccccc2c1=O 261625230 AHSLVOQPAHBSQP-OAHLLOKOSA-N 367.413 0.088 0 50 FCAA Cn1cc([C@H]2CN(Cc3ncnn3-c3ccccc3)C[C@@H]2C(N)=O)cn1 286183142 ACDLAOZMQXTWFE-CVEARBPZSA-N 351.414 0.702 0 50 FCAA NS(=O)(=O)C[C@H]1CCN(C(=O)CCc2nc(-c3ccccc3)no2)C1 299760151 SCXMLEIIEXYONZ-LBPRGKRZSA-N 364.427 0.806 0 50 FCAA CS(=O)(=O)N1CCn2nc(CNC3CSCCSC3)cc2C1 299795542 LNTSQSWHKVJFBB-UHFFFAOYSA-N 362.546 0.597 0 50 FCAA C[C@H](C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1)n1cccn1 329376822 LPHMKQXSWVSEPK-YPMHNXCESA-N 357.374 0.828 0 50 FCAA O=C(COc1ccccc1F)N1CCC(O)(CN2CCOCC2)CC1 374528903 VYWHRZDBZCMUQB-UHFFFAOYSA-N 352.406 0.890 0 50 FCAA CCS(=O)(=O)N1C[C@@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 859244223 MFMFNVFPFGGKNV-HZPDHXFCSA-N 351.428 0.705 0 50 FCAA Cc1nnnn1-c1cccc(NC(=O)c2cn(C[C@H]3CCCNC3)nn2)c1 952969886 NDUAYUWHSWNYOX-ZDUSSCGKSA-N 367.417 0.814 0 50 FCAA CN(Cc1cccc(-n2cccn2)c1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952973711 MACJTQHSWJUCGL-OAHLLOKOSA-N 369.468 0.821 0 50 FCAA O=C(N[C@@H]1CNOC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1358283160 AKXBVAFVRJRQKF-GFCCVEGCSA-N 357.407 0.246 0 50 FCAA CC(C)CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)[C@H](C)C1=O 1506427581 NPNKUKASBSWFMI-GFCCVEGCSA-N 358.402 0.697 0 50 FCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1565528683 KUMVLGNUCIBWKX-IEAZIUSSSA-N 365.455 0.567 0 50 FCAA CN(C)C(=O)NCC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857709163 IPQDCGGBHHQCLV-CLCXKQKWSA-N 372.425 0.559 0 50 FCAA O=C(CCn1cnnn1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857733385 IVEZUQARIMJJTJ-GOSISDBHSA-N 369.429 0.943 0 50 FCAA CN1CCN(C)[C@@H](CNC(=O)c2[nH]nc3ncc(Br)cc23)C1 1875321663 QIVBOBFNMYZMTR-JTQLQIEISA-N 367.251 0.696 0 50 FCAA Cn1nc(C(=O)N2C[C@H]3[C@@H](N=c4nc[nH]n5cccc45)C[C@H]3C2)cc1F 1875408077 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O=C(CNC(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1)NC1CC1 67713186 QBLRRNJZJCRLPN-UHFFFAOYSA-N 358.354 0.726 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCN1C(=O)COc2ccccc21 67756845 HVAIDQGXACGHPR-ZFWWWQNUSA-N 374.441 0.255 0 50 FCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)[C@@H]1CCCN1)C2 67982955 XKFPTXXUPJIEDS-HNNXBMFYSA-N 354.414 0.302 0 50 FCAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CNS(C)(=O)=O)C1 72172693 FDTXDDQTPGHRST-INIZCTEOSA-N 353.488 0.701 0 50 FCAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)Cn1ccnc1-c1ccccc1 72173823 CTXRBRNPIVLWBV-MRXNPFEDSA-N 353.426 0.629 0 50 FCAA CC(=O)NCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCCCC2)[C@H]3C1=O 77439340 ROOQBIWOIGJLPE-RCJHGTSTSA-N 361.442 0.307 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@H]1CCN1CCCC1=O 77536599 CWYKRPQTFOEZHL-ZDUSSCGKSA-N 362.430 0.308 0 50 FCAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(-n3cnnn3)cc1O)CC2 91304024 PSMKEWOYTYCUDJ-CVEARBPZSA-N 373.413 0.760 0 50 FCAA CCn1nnc(-c2cccc(NC(=O)N3CCS(=O)(=O)CC3)c2)n1 96141703 UDSANDWWKSQWFT-UHFFFAOYSA-N 350.404 0.622 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)CN1Cc1nc(CC)no1 96152409 KEIYUUDQEDMBCM-KBPBESRZSA-N 372.429 0.536 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 96165813 JPYOYBBRGDCKGE-UHFFFAOYSA-N 369.356 0.651 0 50 FCAA O=C1NCCN(C(=O)CCc2n[nH]c3c2CCCC3)[C@@H]1Cc1cnc[nH]1 97675492 CXDJZLLKDJWNEK-MRXNPFEDSA-N 356.430 0.514 0 50 FCAA Cc1cc(N2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)n[nH]1 189744305 UROPDKMODQZXSX-UHFFFAOYSA-N 356.430 0.912 0 50 FCAA CN1C(=O)N(C)C2(CCN(C(=O)c3nc(N)nc4c3CCCC4)CC2)C1=O 216303414 XMLGIMMDPWSKHH-UHFFFAOYSA-N 372.429 0.436 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H](CCn1cncn1)c1ccccc1 220698241 QERSQADBEASSAU-AWEZNQCLSA-N 354.370 0.145 0 50 FCAA COc1cc(C(=O)N2CCC[C@H]2C(=O)O)cc(Cl)c1OCC(N)=O 262065403 AZTXFRDJOLZKFX-JTQLQIEISA-N 356.762 0.902 0 50 FCAA COc1cc(S(=O)(=O)NCc2cnn(C)c2)cc(C(=O)O)c1OC 299063569 MURDZMWAKIVINX-UHFFFAOYSA-N 355.372 0.614 0 50 FCAA O=C([C@@H]1CNCCO1)N1CCN(c2nccc(-c3ccccc3)n2)CC1 299799624 UUARQMQSXKCFDL-KRWDZBQOSA-N 353.426 0.781 0 50 FCAA C[C@@H](C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1)n1cccn1 329376819 LPHMKQXSWVSEPK-AAEUAGOBSA-N 357.374 0.828 0 50 FCAA CC1(C)C(=O)Nc2ccc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc21 331819017 HBDYLCXVLHSAMA-LLVKDONJSA-N 351.428 0.680 0 50 FCAA CO[C@@H]1CN(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)C[C@H]1O 333881573 WKMHMOFLTXGBGW-ZMJPVWNMSA-N 370.475 0.976 0 50 FCAA COCC(=O)N1CCCN(C(=O)Cn2nccc2[C@H]2CCCNC2)CC1 426369983 ROXWHVLBRQRWHZ-HNNXBMFYSA-N 363.462 0.057 0 50 FCAA CN1C[C@H]2CN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@]2(C(=O)O)C1 426544673 ICUJLEZANVOCHS-LIRRHRJNSA-N 357.410 0.507 0 50 FCAA OC1CN(c2nc(NCCCNc3cccnc3)cc([C@H]3CCOC3)n2)C1 426599012 TYGIJGNLAXSIPM-AWEZNQCLSA-N 370.457 1.471 0 50 FCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCn1cc(Br)cn1 818901554 ZMFCIGNJSNTZTN-LLVKDONJSA-N 359.224 0.135 0 50 FCAA CN(C)c1nc(O)cc([C@H]2CCN(C(=O)CCn3ccccc3=O)C2)n1 864841255 KKFVWMRZYKJMEV-ZDUSSCGKSA-N 357.414 0.816 0 50 FCAA Cc1cc(F)ccc1NC(=O)CCNC(=O)[C@@H]1CCCN(CC(N)=O)C1 952964371 PSXNFWISXXCYQO-CYBMUJFWSA-N 364.421 0.776 0 50 FCAA O=C(Nc1ccc(-n2ccnc2)cc1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1073398733 ULEBBFOWRHGYKL-CABCVRRESA-N 361.427 0.475 0 50 FCAA COc1nccnc1N1CCCN(S(=O)(=O)N2CCCCC2)CC1 1506404144 GGICXHUYVCRRNK-UHFFFAOYSA-N 355.464 0.728 0 50 FCAA NC(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(Cn2cccn2)c1 1565510668 ZHZGUVSPGZRUNA-HOTGVXAUSA-N 358.398 0.321 0 50 FCAA CC(C)[C@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1NS(=O)(=O)N(C)C 1565511930 RWEJUYPFPKPSQZ-CABCVRRESA-N 371.507 0.542 0 50 FCAA Cc1ccc(Cl)c(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1616070221 ZFEOZUYLKWBUQX-RISCZKNCSA-N 360.863 0.973 0 50 FCAA O=C(c1cncnc1O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857730908 BSLUYHKWLDEJLQ-HOTGVXAUSA-N 368.393 0.824 0 50 FCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3OCC(=O)O)C[C@@H]12 1857741281 LQRVWKSZPYCYOH-DZKIICNBSA-N 368.455 0.309 0 50 FCAA CCn1cc(CNC(=O)[C@H]2CC[C@@H](OC)[C@H](NS(=O)(=O)CC)C2)cn1 2100556183 HKEYNRMHNFRQCO-RRFJBIMHSA-N 372.491 0.642 0 50 FCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnc3ncnn3c2)c1 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Cc1cccc(CC(=O)N2C[C@@H]3C(CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)c1 1875349051 LANHMZBRALKUJB-ZACQAIPSSA-N 355.438 0.637 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)N=c2cc3n([nH]2)CCN(C)C3=O)cc1 1875373549 FMXVTNPSBLFJLZ-UHFFFAOYSA-N 353.382 0.792 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)C1 1875379338 QOAURJCCFDTXJM-CRWJGOAPSA-N 364.471 0.477 0 50 FCAA Cc1cnc(Cl)[nH]c1=NC1CC(O)(CNC(=O)[C@H]2CCCCO2)C1 1875407149 UDPWRCVJVZUBSH-BWBHSNQOSA-N 354.838 0.851 0 50 FCAA Cn1c(CNC(=O)[C@@H]2CNCc3nccn3C2)cc(=O)n1-c1ccccc1 2325795975 JAQHLEIVFAQOEU-CQSZACIVSA-N 366.425 0.408 0 50 FCAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCO[C@H](c2nn[nH]n2)C1 2356154417 VGTXKORTOPAMCO-ZDUSSCGKSA-N 352.358 0.947 0 50 FCAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 2883617 QOQCCMCHUSPVQP-GFCCVEGCSA-N 359.382 0.972 0 50 FCAA COC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 4762284 ARUNVSBGKCAFKZ-GJZGRUSLSA-N 366.414 0.978 0 50 FCAA in-vitro O=C(NCCCc1cccnc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 23338842 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O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCCSc1cnn[nH]1 72133262 BHEXOFVBIZVFPQ-GFCCVEGCSA-N 352.464 0.146 0 50 FCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC(C)(C)CO 72152744 MMJZMURHFOOBLW-HNNXBMFYSA-N 363.458 0.663 0 50 FCAA CC(C)CC(=O)N1CCN(C(=O)c2ccc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72427084 WHUMRGIHMGVTKL-KGLIPLIRSA-N 353.444 0.511 0 50 FCAA CC(C)C(=O)N1CCN(Cc2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72480588 PATVKDNQPUDTPO-JKSUJKDBSA-N 352.456 0.858 0 50 FCAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1C 77469904 AXDWSJPZJSQHPU-HNNXBMFYSA-N 359.478 0.949 0 50 FCAA CCc1noc(C)c1C(=O)N1CCN(CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 82092081 KIYQMPNDRUOEAP-KGLIPLIRSA-N 371.459 0.115 0 50 FCAA Cc1nc2ccc(C(=O)N3C[C@H](CO)[C@H](CN(C)CCO)C3)cc2nc1C 91381719 OSWVGTSFAXIHHY-IAGOWNOFSA-N 372.469 0.851 0 50 FCAA CCCNC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)cc1 91665138 SNWMIIANXDXUIT-GFCCVEGCSA-N 351.432 0.785 0 50 FCAA CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)Cn1cnnn1)CC2 91725198 LLVYJEVJJYCMLK-UHFFFAOYSA-N 358.450 0.428 0 50 FCAA COc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)cc1 95387229 VKYAJHXGKNHECO-CQSZACIVSA-N 361.398 0.960 0 50 FCAA NC(=O)c1nc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)no1 95520853 WLBROKZSPDJTME-GXSJLCMTSA-N 362.415 0.248 0 50 FCAA CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 97784737 SAANHBDCLLOHOP-VIFPVBQESA-N 366.468 0.953 0 50 FCAA C[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2nc3ccccc3o2)CC1 172411539 VZYSUGSQEFLBHK-NSHDSACASA-N 352.416 0.414 0 50 FCAA CCNCC1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 237015905 CLJDMRDLZCCTIQ-UHFFFAOYSA-N 373.251 0.147 0 50 FCAA CN(CCC(=O)NCCc1n[nH]c2c1CCCC2)[C@H]1CCS(=O)(=O)C1 243919534 BORBZUGDUBBTLK-ZDUSSCGKSA-N 368.503 0.456 0 50 FCAA COc1ccc(CN2C[C@@H](C(=O)Nc3ccn(CC(=O)O)n3)CC2=O)cc1 268926597 FJTYAZRCAJUBND-ZDUSSCGKSA-N 372.381 0.964 0 50 FCAA Cc1nc2ccc(NC(=O)N[C@H]3C[C@H]4C(=O)N(C)CC(=O)N4C3)cc2[nH]1 299765268 LIYZPSDWQQOHDR-FZMZJTMJSA-N 356.386 0.434 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1CCCN2c3ccccc3C[C@@H]2C1 368194026 HBGMVYHFVOAGIJ-CQSZACIVSA-N 352.460 0.382 0 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O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cnc2c(O)cccn2c1=O 77470600 PIEAYVSTPGWUBP-LBPRGKRZSA-N 359.382 0.858 0 50 FCAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ncn[nH]4)C3)CCC2=O)cn1 91434369 YSJMGUNIQRAZLJ-GOSISDBHSA-N 369.429 0.948 0 50 FCAA Cn1nnnc1SCCNC(=O)c1coc(CN2CCOCC2)c1 95356362 IPGHTDLNIMOSTM-UHFFFAOYSA-N 352.420 0.157 0 50 FCAA Cc1n[nH]c(CCNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)n1 95385990 AKKHAHXICSKJON-ZDUSSCGKSA-N 369.429 0.543 0 50 FCAA Cc1ccccc1CCC(=O)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95386080 MQOKQMSSJLPUGF-SJORKVTESA-N 366.483 0.230 0 50 FCAA CCCNc1ncc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)cn1 215705605 SQEUCSZVANSCOD-UHFFFAOYSA-N 368.507 0.757 0 50 FCAA O=C(N[C@@H]1CCOC[C@H]1OCCO)C1(S(=O)(=O)c2ccccc2)CC1 219922051 CEEKMHIHTWQBIA-HUUCEWRRSA-N 369.439 0.276 0 50 FCAA Cc1c(F)cccc1CN1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)O)C1 247855680 XRQFKZJQWGNZGE-BBRMVZONSA-N 356.419 0.912 0 50 FCAA COc1nc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)nn1C 299759882 OLFHIRNNJFQKGP-UHFFFAOYSA-N 359.430 0.943 0 50 FCAA O=C(C1CCC1)N1CCn2nc(CNS(=O)(=O)N3CCCC3)cc2C1 299788189 QUTGJGDRNFDOCW-UHFFFAOYSA-N 367.475 0.456 0 50 FCAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cccc3nonc23)n1 328633644 SRXVIIRHCLFVOF-WCBMZHEXSA-N 351.344 0.411 0 50 FCAA CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CCO1 363411782 MRQQFNPGMSZDDV-DLBZAZTESA-N 359.426 0.655 0 50 FCAA O=C(CNC1(CO)CCOCC1)N1CCO[C@H](c2ccc(F)cc2)C1 363509846 BQKMLMGODGMSBK-INIZCTEOSA-N 352.406 0.857 0 50 FCAA COc1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)ccc1OCCN 426509342 HWMYVCSQNRPOOW-UHFFFAOYSA-N 360.418 0.109 0 50 FCAA CCc1noc(-c2cccc(NC(=O)N3CCN4CCNC(=O)[C@@H]4C3)c2)n1 426518838 SMXXVJZVLOCTBD-AWEZNQCLSA-N 370.413 0.947 0 50 FCAA CN1CCCN(CC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)CC1 426730590 XULHJNSRGUNENG-OAHLLOKOSA-N 363.462 0.311 0 50 FCAA CN1CCO[C@@H](CNc2cncc(-n3cccn3)n2)[C@@H]1c1ccnn1C 886081960 LQNZGPLJSZGKBK-YOEHRIQHSA-N 354.418 0.880 0 50 FCAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N[C@H]1COC[C@@H]1O 952989290 CPSJEMDEBBRFCJ-IRXDYDNUSA-N 365.389 0.939 0 50 FCAA CN1C(=O)N(C)C2(CCN(Cc3nnc(-c4cccnc4)o3)CC2)C1=O 1506397639 UXHLZBGJKNDXGT-UHFFFAOYSA-N 356.386 0.990 0 50 FCAA O=C(COc1ccc(F)cc1)N1CCCN(C(=O)c2cncc(=O)[nH]2)CC1 1529158410 BVZXCWSMVOMDCX-UHFFFAOYSA-N 374.372 0.663 0 50 FCAA O=C(c1cnnn1-c1ccccc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857684195 CMVYAWRLAXTWHY-MAUKXSAKSA-N 355.398 0.371 0 50 FCAA CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)cc1 1857723256 ZZXOTPKVLMEZMP-NWANDNLSSA-N 355.460 0.041 0 50 FCAA O=C(NCCc1csc(-c2ncccn2)n1)c1cn2c(n1)CCNCC2 1857736064 JENPNMMFGWGKPT-UHFFFAOYSA-N 369.454 0.915 0 50 FCAA Cc1nc2[nH]c(=NC(=O)c3ccc(CN4CCCC4)o3)[nH]n2c(=O)c1C 1940196630 WXMLQUSZKTYWGB-UHFFFAOYSA-N 356.386 0.897 0 50 FCAA Cc1nonc1OCCNC(=O)c1ccc2nnc([C@@H](O)C(C)C)n2c1 2100555533 VOKKLPNDHCIMGS-ZDUSSCGKSA-N 360.374 0.919 0 50 FCAA Cn1cnnc1CN1CCC[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 2325825915 HTNPVRWSJKNHGY-CYBMUJFWSA-N 356.430 0.556 0 50 FCAA O=C(N[C@H]1C[C@H](C(=O)N2CCC3(CCCO3)CC2)C[C@@H]1O)c1ncc[nH]1 2356146530 KAGUUVCIDWGDQV-IHRRRGAJSA-N 362.430 0.451 0 50 FCAA Cc1cccc(Cn2c(NC[C@@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)c1 1070745 SQPSJIHOKIZGIB-GFCCVEGCSA-N 357.414 0.583 0 50 FCAA COC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 4134321 OHVYSJVGZSSBRG-IUCAKERBSA-N 352.144 0.439 0 50 FCAA CCCCN1C(=O)N[C@@](NC(=O)CN2CCCC2=O)(C(F)(F)F)C1=O 4808757 OKMOJYINILDYCY-CYBMUJFWSA-N 364.324 0.336 0 50 FCAA CCN(CC)C(=O)Cn1cc(C(=O)N2CC[C@@H](N(CC)CC)C2)nn1 12459362 DULCTPOGAXQPAX-CQSZACIVSA-N 350.467 0.703 0 50 FCAA COc1ccc(CCN2C[C@@H](C(=O)Nc3nc[nH]n3)CC2=O)cc1OC 20729451 QTRMDXCGBOUJIQ-LBPRGKRZSA-N 359.386 0.852 0 50 FCAA CS(=O)(=O)NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 47669492 DNZIHUFIDBVOMD-UHFFFAOYSA-N 357.451 0.799 0 50 FCAA CCc1ccc(CN(CCOC)C(=O)c2cc(=O)n(C)c(=O)n2C)cc1 55281011 RTBULGIRLPSIJN-UHFFFAOYSA-N 359.426 0.935 0 50 FCAA CNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O 67563096 XYIASCKSBQYRMT-SFHVURJKSA-N 367.421 0.366 0 50 FCAA COC1CCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1 67847186 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KIAUFEKPJUNBNM-DVOMOZLQSA-N 354.370 0.770 0 50 FCAA CC[C@H](O)CN1CCN(c2ncnc3ccc(S(C)(=O)=O)cc23)CC1 252490336 KPTTWJLYRWPENX-ZDUSSCGKSA-N 364.471 0.926 0 50 FCAA CCn1nc(CO)c2c1CCN(C(=O)Cn1c(=O)oc3ccccc31)C2 299756311 GIBXPWLWRKEODF-UHFFFAOYSA-N 356.382 0.888 0 50 FCAA CN(C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(-c3nnn[nH]3)c2)C1 299763614 PGVAPGUEBIYIHI-AWEZNQCLSA-N 357.418 0.877 0 50 FCAA Cc1nc(CCN(C)C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)no1 299777319 NPMLVVZWNUGMQX-AWEZNQCLSA-N 370.475 0.278 0 50 FCAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)CCO1 328602718 CLGGAVDFRJHOFY-LLVKDONJSA-N 370.789 0.926 0 50 FCAA CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)C4CC4)C3)cc2C1=O 333879932 UFXQIJYVUYKXHH-UHFFFAOYSA-N 363.395 0.113 0 50 FCAA O=C1CCC(C(=O)N2CCCC23CCC3)=NN1[C@@H]1CCS(=O)(=O)C1 373046477 AIOCOVIWDQSSLT-GFCCVEGCSA-N 353.444 0.697 0 50 FCAA COCc1nc([C@H]2CCOC2)cc(N2CCN(CCn3cncn3)CC2)n1 426602591 ZSSTYASUKOYXQM-HNNXBMFYSA-N 373.461 0.541 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnn[nH]1 426727503 NVBGWRXVNZRXNW-MRXNPFEDSA-N 356.430 0.163 0 50 FCAA CCn1ccnc1CN(C(=O)COC1(C)CNC1)[C@H]1CC12CCNCC2 952886832 CGLATOULZSOCPY-HNNXBMFYSA-N 361.490 0.752 0 50 FCAA Cc1nc(O)nc(O)c1CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1465291484 XYUVTOUVVDMQNQ-UHFFFAOYSA-N 371.397 0.186 0 50 FCAA COc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)cc1O 1565514077 WNHUCWIHZIVVCW-BBRMVZONSA-N 371.393 0.801 0 50 FCAA O=C(O)CN1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1875241961 IEQSWIQDVXRUGQ-INIZCTEOSA-N 361.442 0.963 0 50 FCAA O=C(CCn1nc(O)ccc1=O)NS(=O)(=O)CCc1ccccc1 1875255537 UAXZHHDAGTXEBC-UHFFFAOYSA-N 351.384 0.028 0 50 FCAA CCN1CCN(CC)CCN(C(=O)NCc2nnc3ccc(C)nn23)CC1 2325764582 GDBNZCHJDGBCIP-UHFFFAOYSA-N 374.493 0.602 0 50 FCAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCOCC1 2876198 XKBXEYDSUPODHQ-UHFFFAOYSA-N 356.444 0.919 0 50 FCAA CCOC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CC)n(C)c1=O 12516041 ZKALDMFAPKQCRU-UHFFFAOYSA-N 374.401 0.282 0 50 FCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCC(N)=O)C2=O)c1 67675463 UGOFTSJIFKNFFG-QGZVFWFLSA-N 353.394 0.153 0 50 FCAA O=C1NCCN1CCNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 67820433 CBGHLQYATWIWOF-SFHVURJKSA-N 364.421 0.294 0 50 FCAA CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc2c(cc1OC)OCCCO2 67974916 JPZJKGKYYHQWMU-ZDUSSCGKSA-N 363.414 0.293 0 50 FCAA CN1C(=O)COc2ccc(C(=O)N3CC[C@H]4NCCC[C@]4(CO)C3)cc21 72156318 BSHCNOFGIGTVQA-VQIMIIECSA-N 359.426 0.618 0 50 FCAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccn1 72418079 GEXPNJGQVVAOKZ-HNNXBMFYSA-N 374.441 0.978 0 50 FCAA CC(C)CN1CCN(C(=O)c2ccc(N)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72477869 ATKYORUZWQHUPY-KGLIPLIRSA-N 352.460 0.243 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)c2cnc(CN3CCCC3)s2)CC1 82099241 IUEBLRLSDIRLJN-UHFFFAOYSA-N 372.516 0.893 0 50 FCAA COc1cccc2c1OC[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)C2 91691550 ASQWKUSXICISGQ-CYBMUJFWSA-N 354.428 0.350 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cncn1C)CC2 95520455 KBNRJOGGTQKCFG-UHFFFAOYSA-N 372.429 0.306 0 50 FCAA O=C(NCCS(=O)(=O)N1CCCC1)c1cc(-c2ccc(O)cc2)n[nH]1 97713442 ZGMOBIYIZBKZEF-UHFFFAOYSA-N 364.427 0.938 0 50 FCAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 120513383 ACBIFIKYSKTVKT-YJYMSZOUSA-N 357.410 0.843 0 50 FCAA CN(C)C1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)CCOCC1 252496784 PRRPSWHOSYCSSR-CQSZACIVSA-N 361.442 0.972 0 50 FCAA O=C(NCC(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(Br)c1 261919521 HQRCJCPTMADDGD-NSHDSACASA-N 371.187 0.491 0 50 FCAA O=C(O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299767635 IMRRGNCFVVVCPS-INIZCTEOSA-N 366.389 0.981 0 50 FCAA Cc1noc([C@@H]2CC[C@H](CN(CC(=O)NC(C)(C)C)S(C)(=O)=O)O2)n1 332421924 SNGIPVIXSBQCJV-NEPJUHHUSA-N 374.463 0.774 0 50 FCAA CN1C(=O)N(C)C2(CCN(C(=O)NCCCNc3cccnc3)CC2)C1=O 534663305 NKDCLVCQHNYCJR-UHFFFAOYSA-N 374.445 0.952 0 50 FCAA O=S(=O)(N[C@H]1CCCN(Cc2ccccc2F)C1)N1CCOCC1 826626719 OSMVCLIQBVBMRM-HNNXBMFYSA-N 357.451 0.957 0 50 FCAA Cc1csc2c(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)ncnc12 1529186057 VBNJYKWZRYYELV-WDEREUQCSA-N 356.473 0.688 0 50 FCAA O=C(CCN1CCOCC1)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565531357 NDWJODLGTKEUPI-ROUUACIJSA-N 364.442 0.554 0 50 FCAA COc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)ccc1F 1704300901 ZAWQKOGVYKMQHC-WCQYABFASA-N 360.407 0.471 0 50 FCAA Cc1cccn2cc(CNS(=O)(=O)CC[C@@H]3CCS(=O)(=O)C3)nc12 1857696206 RCEMUNXBQGHQFT-ZDUSSCGKSA-N 371.484 0.887 0 50 FCAA COc1cc(C(=O)N[C@H]2C[C@H](C(=O)N(C)Cc3ccon3)C[C@@H]2O)ccn1 1875250857 MRFOHOPRPGLMPF-QEJZJMRPSA-N 374.397 0.606 0 50 FCAA O=C(O)[C@@H]1CCCN1S(=O)(=O)CCN(CCCO)Cc1ccccc1 1875305581 FSYLXROXSKDOLQ-INIZCTEOSA-N 370.471 0.750 0 50 FCAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@]2(C(N)=O)CCOc3ccccc32)C1 1875371407 ZIKRCQOSDNVPIB-BFUOFWGJSA-N 357.410 0.691 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@H]2COCCNC2=O)(c2ccccc2)CC1 1875386975 HZAPGJAVLDVQOW-INIZCTEOSA-N 371.437 0.364 0 50 FCAA CC1(C)[C@@H](Nc2cc(C(N)=O)ncn2)C[C@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1875405666 LOSXWRJMMLPLQR-GPXIKIIXSA-N 359.430 0.838 0 50 FCAA O=C(NCc1cc2ccc(F)cc2nc1O)c1cn(CC2CNC2)nn1 2325856915 IBRPRRZNMMKECK-UHFFFAOYSA-N 356.361 0.820 0 50 FCAA O=C1COC2(CCN(C(=O)c3ccc(N4CCOCC4)nc3)CC2)CN1 2356153224 XMXSQPSHITYYEZ-UHFFFAOYSA-N 360.414 0.039 0 50 FCAA CC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@H]1Cc2ccccc2O1 11766741 FQUOWJIOBUDENQ-OAHLLOKOSA-N 358.446 0.975 0 50 FCAA COc1ccc(CCN2C[C@@H](NS(=O)(=O)N3CCCC3)CC2=O)cc1 12074101 OQPUUUXGZRHLJB-HNNXBMFYSA-N 367.471 0.769 0 50 FCAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCCN1CCOCC1 19932258 ONMZYXSQRGBENY-UHFFFAOYSA-N 364.837 0.832 0 50 FCAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCCO)c2)CC1 20254925 NFNNULWQPXYPKC-GOSISDBHSA-N 351.491 0.536 0 50 FCAA CS(=O)(=O)N(CC(=O)N1CCN2CCC[C@@H]2C1)c1cccc(F)c1 55182818 VWCDEOMHCDPVQS-OAHLLOKOSA-N 355.435 0.898 0 50 FCAA C[C@@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)CN1CCCC1 72117678 QKCUFBCHEWJKBM-AWEZNQCLSA-N 360.524 0.353 0 50 FCAA CN1C(=O)C2(CCN(C(=O)CCCS(N)(=O)=O)CC2)c2ccccc21 72144050 KVFXXVPKMBLIPP-UHFFFAOYSA-N 365.455 0.592 0 50 FCAA NC(=O)CN1CCC(N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 72440146 LSTVSMDCTKTIDZ-MOPGFXCFSA-N 358.486 0.263 0 50 FCAA COCCCN1C(=O)CC[C@H]2CN(C(=O)CN3CCC(C)=N3)CC[C@H]21 72448079 PYLXZSDNDMVSFW-JKSUJKDBSA-N 350.463 0.944 0 50 FCAA CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)C[C@H]1NC(C)=O 82106889 DFNQPENLDQKZRM-CHWSQXEVSA-N 373.500 0.790 0 50 FCAA Cc1cc(C(=O)N2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)c2ccc(F)cc2n1 82136925 UZACUDLKOCFIBU-INIZCTEOSA-N 370.384 0.807 0 50 FCAA C[C@H](O)[C@@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91504065 JXWIPBISENVIOI-MAUKXSAKSA-N 374.485 0.563 0 50 FCAA Cn1cc(CNC(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)cn1 91820189 JPYGCUVCKHJBBF-UHFFFAOYSA-N 358.370 0.894 0 50 FCAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(c4cccnc4)CC2)[C@@H]3C1=O 95357452 MYVCPWMSZKYEBW-GGXPGOJBSA-N 354.410 0.142 0 50 FCAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 97474959 ZLHJUTLTWPTHSV-AWEZNQCLSA-N 361.446 0.870 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)NC(=O)N1 97773225 SKLAMCYURRCIAG-RRGWEWPQSA-N 356.426 0.832 0 50 FCAA CN(C)CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)cc1 170631279 FNGODIZRTHLLQO-UHFFFAOYSA-N 366.443 0.865 0 50 FCAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)CN1C(=O)CNC1=O 215911923 LMQXCPNACZTPAJ-UHFFFAOYSA-N 350.325 0.965 0 50 FCAA CS(=O)(=O)CCN1CCN(Cc2cnc(-c3ccccn3)nc2)CC1 216360228 ZYHRXXVRGDIQKX-UHFFFAOYSA-N 361.471 0.701 0 50 FCAA CCCOC(=O)N1CCN(Cc2cnn(CC)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 216758644 RSFRLJZTPRIDBC-CABCVRRESA-N 370.475 0.733 0 50 FCAA O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1 219642124 ZOQYTOQDGBOJNT-HOTGVXAUSA-N 361.423 0.550 0 50 FCAA CN1C[C@@]2(CCN(C(=O)COc3cccc(-n4cnnn4)c3)C2)OC1=O 221307097 NGRQUXBPJKYRIM-MRXNPFEDSA-N 358.358 0.094 0 50 FCAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1noc(C3CC3)n1)C2 222748596 JVXVWNUNBGDXID-AWEZNQCLSA-N 360.418 0.671 0 50 FCAA CC[C@H](C)[C@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 230214033 CFNFWDYLZBUKAS-JSGCOSHPSA-N 357.414 0.958 0 50 FCAA CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)co1 270051018 MGJQISREIFEAFW-ZDUSSCGKSA-N 368.415 0.234 0 50 FCAA CC(C)S(=O)(=O)CCN1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328606247 QUZPKJILYOONBY-OAHLLOKOSA-N 368.503 0.914 0 50 FCAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)C2CCCCC2)CCO1 328608582 ZUOWFMWYELTVCL-CYBMUJFWSA-N 362.448 0.140 0 50 FCAA CCc1nc(CN(C)c2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)no1 426509366 LUOOZYPVLXQRQF-LLVKDONJSA-N 360.418 0.743 0 50 FCAA Cc1csc([C@H](C)CNC(=O)N2CCN(CCOCCO)CC2)n1 584889714 XSKSHGGEHRQBNA-CYBMUJFWSA-N 356.492 0.891 0 50 FCAA COCCc1noc(CN(C)C(=O)NCc2nc(C(F)(F)F)n[nH]2)n1 670445323 BAIRVJYDMLMNPI-UHFFFAOYSA-N 363.300 0.737 0 50 FCAA NC(=O)C1(NC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)CCCC1 815611938 XUVCKDXZESDWMM-UHFFFAOYSA-N 353.325 0.919 0 50 FCAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCCCCCN2CCOCC2)C1 828475309 NJXBUIZGSCTAJC-AWEZNQCLSA-N 363.480 0.120 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2nncn2-c2ccccc2)C1 888077685 PFRUYFGPDVNUOJ-SFHVURJKSA-N 353.430 0.965 0 50 FCAA Cc1nnnn1-c1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)c1 952980540 XQCVSTUHLSPLQI-HNNXBMFYSA-N 357.418 0.508 0 50 FCAA C[C@]1(c2cccc(C(=O)N3CCC[C@@H]4CCNC(=O)[C@H]43)c2)NC(=O)NC1=O 1471510825 SCMHCEOIBKZTJW-CILWKZBWSA-N 370.409 0.482 0 50 FCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2csnc2N)cc1 1565531441 UQSDDBUKYLPTQU-STQMWFEESA-N 362.411 0.791 0 50 FCAA CCOc1ccc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1CO 1772700815 IUPBGOAXFJAYFG-RDJZCZTQSA-N 364.442 0.795 0 50 FCAA C[C@@](O)(C(=O)O)[C@](C)(O)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 2325851581 CTIQLKKEQXRERT-IAGOWNOFSA-N 365.361 0.257 0 50 FCAA Cc1cc(Cl)c(S(=O)(=O)N(C)CC(=O)O)cc1OCC(N)=O 3889992 JBIFRJOGURZQCO-UHFFFAOYSA-N 350.780 0.218 0 50 FCAA CCN(CC)S(=O)(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 65417117 JAKPLGJEGDRMBQ-UHFFFAOYSA-N 355.464 0.521 0 50 FCAA NC(=O)c1ccc(N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)nc1 67588907 VQUNAXSXHQPKLS-UHFFFAOYSA-N 369.429 0.850 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(-n2cccn2)cc1 67604888 ZGTYXGVKJVZRMS-DOMZBBRYSA-N 363.443 0.099 0 50 FCAA CCC[C@]1(C2CCN(C(=O)CCCn3cncn3)CC2)NC(=O)NC1=O 67724507 OGLWLVLWOOBLTO-QGZVFWFLSA-N 362.434 0.675 0 50 FCAA CS(=O)(=O)CCN1CCC(NC(=O)c2ccc3nccn3c2)CC1 68507473 WMJMKIIPHOWWHA-UHFFFAOYSA-N 350.444 0.573 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72157679 DSXAZRVHUGXSFA-QGZVFWFLSA-N 368.437 0.238 0 50 FCAA O=C(CCSc1nnc(-c2ccncc2)o1)N1CCOC[C@@H](O)C1 77298361 NNZILFQECQSFII-LBPRGKRZSA-N 350.400 0.834 0 50 FCAA Cc1nc(CC(=O)N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cs1 77301274 DCIDAQXARTYXMT-TZMCWYRMSA-N 361.427 0.176 0 50 FCAA CN1CCCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)CC1 77458378 IAXBLLRZFPHUAD-ROYATCLZSA-N 361.486 0.979 0 50 FCAA CN(C)c1nc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)ncc1F 82096555 OOUZIAGJJQNPBI-KRWDZBQOSA-N 351.426 0.883 0 50 FCAA CC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82158535 BTDMBRIAUWCBPI-IBGZPJMESA-N 358.442 0.949 0 50 FCAA Cc1cccc2ncc(C(=O)N3C[C@H](CO)C[C@H](CN(C)C)C3)c(=O)n12 91350731 YYBVPTVOLXQMNG-HUUCEWRRSA-N 358.442 0.635 0 50 FCAA O=C(c1ccc(Cn2cccn2)o1)N1CC[C@]2(CCCN(CCO)C2=O)C1 91756493 UKPCWGGQUQOVQK-LJQANCHMSA-N 372.425 0.971 0 50 FCAA CS(=O)(=O)CCC(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91876509 LTKSRUIONFLODT-KRWDZBQOSA-N 372.487 0.441 0 50 FCAA Cc1ccn(CCC(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)n1 91951935 PPPMYIBWTKEZKR-QZTJIDSGSA-N 363.506 0.286 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(C)n2)CN1Cc1cccc(C)n1 92002992 ZTUDHCWIHRZYOC-WBVHZDCISA-N 370.457 0.633 0 50 FCAA COc1cc2c(cc1CNC(=O)[C@@H]1CCCN(CC(N)=O)C1)OCCO2 92038475 DZIOUXYUZNGZOA-GFCCVEGCSA-N 363.414 0.280 0 50 FCAA COCc1noc(CCNC(=O)c2coc(CN3CCOCC3)c2)n1 95382614 OQAUMVBKGJFOAX-UHFFFAOYSA-N 350.375 0.614 0 50 FCAA Cc1nc2ncccn2c1C(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 95391546 XIGGJFQFMMWNRQ-GOSISDBHSA-N 356.430 0.464 0 50 FCAA O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CCN(c2ccccc2)C1=O 95509348 HBVXMZOYZLSKBV-OAHLLOKOSA-N 365.455 0.581 0 50 FCAA Cn1cc(N2CC[C@H](NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)C2=O)cn1 118083397 VDYJRJPMMVPBBY-JYJNAYRXSA-N 355.398 0.483 0 50 FCAA O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCS(=O)(=O)CC1 175947158 DAJSCISDFHAGLC-MRXNPFEDSA-N 352.456 0.535 0 50 FCAA COCc1nc(CN2CCn3nc([C@H](O)c4ccnn4C)cc3C2)no1 219188130 BIDOUEDKYQLPAZ-INIZCTEOSA-N 359.390 0.244 0 50 FCAA COc1ccc([C@@H](NS(=O)(=O)c2cnn(C)c2)C2CC(O)C2)cn1 222324860 GEZDOQNPAMJZJX-KOHJWAIASA-N 352.416 0.614 0 50 FCAA O=C(CCN1CCCCC1=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 252537536 LNMAAYIBYVYEMN-JOCQHMNTSA-N 361.446 0.870 0 50 FCAA COc1ccccc1N1CC[C@H](NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 268441345 KKNMFDPIFWJXAO-HEHGZKQESA-N 362.430 0.606 0 50 FCAA Cc1scc(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)c1C 274520165 XAAAMOINRMOEFK-UHFFFAOYSA-N 355.445 0.630 0 50 FCAA Cc1cc(N2CCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2)nc(N)n1 299789664 ZRSGMHOANDTOQJ-LLVKDONJSA-N 364.475 0.026 0 50 FCAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccccc1 330703508 KYWRJOJCMDXZBW-CABCVRRESA-N 360.501 0.910 0 50 FCAA Cn1ccnc1[C@H]1CCCN1CC(=O)N1CCN(c2cnccn2)CC1 365870694 HHOCFSRSYRHMOE-OAHLLOKOSA-N 355.446 0.696 0 50 FCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cncc3ncn(C)c23)cn1 823603380 BOMMONYZPHGUBV-LSDHHAIUSA-N 356.386 0.761 0 50 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0.376 0 50 FCAA CNC(=O)Cn1cc(NC(=O)CN[C@@H]2CCc3ccccc3OC2)cn1 952845055 PGMNUEFTQNOZLY-CQSZACIVSA-N 357.414 0.551 0 50 FCAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc(Cn3cnnn3)cc1)C2 1857670370 KLGNPBJDGKBYAK-KRWDZBQOSA-N 356.386 0.778 0 50 FCAA O=C(CCn1cnnc1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857708965 WHGMHMCMOYCRMU-IRXDYDNUSA-N 369.425 0.697 0 50 FCAA O=C(NCCn1ncc2ccccc2c1=O)c1cn2c(n1)CCNCC2 1857718010 KEFVEPWCXINLFV-UHFFFAOYSA-N 352.398 0.169 0 50 FCAA CN1C[C@H]2CN(C(=O)C(=O)N3CC(Cc4ccccc4)C3)CCN2C1=O 1875265898 FIRGKQOGGJGFNO-INIZCTEOSA-N 356.426 0.266 0 50 FCAA CC(C)(CNC(=O)CC[C@@H]1NC(=O)NC1=O)N1CCc2ccccc2C1 29161415 KBWFGWAULNHNSL-HNNXBMFYSA-N 358.442 0.928 0 50 FCAA CC[C@@]1(C(=O)O)C[C@H](C(=O)NC(CO)CO)[C@H](c2ccc(F)cc2)N1C 67561973 GYTNNNZPJMAUMA-MPGHIAIKSA-N 368.405 0.521 0 50 FCAA CN(Cc1nccn1Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1C 72127453 HKOSSJNMDMGPNK-MRXNPFEDSA-N 355.442 0.710 0 50 FCAA Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 72153681 ORMQCNDUTFNPLD-CYBMUJFWSA-N 371.441 0.631 0 50 FCAA Cc1cc(NC[C@@H]2CN(S(C)(=O)=O)CCO2)n2nc(C)c(C)c2n1 72431734 LAGCNBPIEWAGRW-CYBMUJFWSA-N 353.448 0.727 0 50 FCAA O=C(NCc1cc(N2CCOCC2)ncn1)c1ccccc1-c1nnn[nH]1 72454666 JHGCYGLKCJTFKR-UHFFFAOYSA-N 366.385 0.423 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccccc1)C2 91657121 LFAQTLCGLFMAFC-LSDHHAIUSA-N 367.471 0.795 0 50 FCAA C[C@@H](O)[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91792866 WHONVWHJTYETRT-PBHICJAKSA-N 360.458 0.521 0 50 FCAA O=C(CCc1nc(Cl)n[nH]1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91860715 KNJBZQXFLSMUHH-HNNXBMFYSA-N 355.826 0.224 0 50 FCAA NC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(C(=O)O)cc3)CC2)C1 95368372 IRPXWHKLHKKUFF-AWEZNQCLSA-N 360.414 0.824 0 50 FCAA COCc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)n1 95392313 OEASONKXDMWGOJ-HZPDHXFCSA-N 362.474 0.156 0 50 FCAA NCCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CC[C@@H]21 217009164 KXBDEJIIANHRAF-CJNGLKHVSA-N 356.430 0.760 0 50 FCAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)C2CCN(C(=O)Cc3ccccc3)CC2)C1 223534685 JGTKQTFVSZIHBN-MOPGFXCFSA-N 373.497 0.991 0 50 FCAA O=C(CCn1cncn1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 244894055 YZDWHGJVRBAHQD-MJBXVCDLSA-N 357.418 0.092 0 50 FCAA CSCC[C@H](CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O 252496691 POSZAHWYPKSJOH-LLVKDONJSA-N 361.427 0.274 0 50 FCAA Cc1nn(CC(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc1Cl 299771019 YEFYEHVSLHPHOR-YXPYIKCWSA-N 369.849 0.860 0 50 FCAA CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccco2)CC1 299788947 XMBAGFCNYFPQLF-HNNXBMFYSA-N 355.460 0.784 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)NCCN1CCCC[C@H]1CO 299796780 OLSNODLGUNPBIC-ZDUSSCGKSA-N 370.475 0.611 0 50 FCAA CC(C)Cn1cnc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1 328627914 NDOXMOMQHFCTEZ-ZDUSSCGKSA-N 352.464 0.940 0 50 FCAA Cn1c(=O)nc(O)c2cc(S(=O)(=O)N[C@]3(C)CC=CCC3)cnc21 332618445 RKVBVHVXYUJZDV-OAHLLOKOSA-N 350.400 0.811 0 50 FCAA O=C([C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)N1CCC[C@H](n2ccnn2)C1 333308689 RHEGDTPIZQYUNL-BBWFWOEESA-N 373.457 0.883 0 50 FCAA COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21 366016684 IUNJDBHSBSGAIR-IGJMFERPSA-N 352.343 0.578 0 50 FCAA CN1CC(=O)N2CCN(C(=O)c3ccc(-c4ncccn4)cc3)C[C@@H]2C1=O 426361664 HNHOQHVZLBQOBS-OAHLLOKOSA-N 365.393 0.269 0 50 FCAA Cc1nc(CN2CC[C@@H](NC(=O)c3nc4ncccn4n3)[C@H](O)C2)cs1 426674239 OQIRSOBHLSGJIU-CHWSQXEVSA-N 373.442 0.254 0 50 FCAA CCc1nccn1CCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 426707306 ZCGNJWDUXLYDMR-IAGOWNOFSA-N 357.458 0.982 0 50 FCAA O=C(CN1CCCC[C@H](O)C1=O)NCCn1cc(Br)cn1 818901555 ZMFCIGNJSNTZTN-NSHDSACASA-N 359.224 0.135 0 50 FCAA C=CC(=O)NCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 837081117 ITUOWJFIRRIWDN-ZDUSSCGKSA-N 355.435 0.821 0 50 FCAA CC(=O)NCc1cc(O[C@@H]2CCN(CCCNS(C)(=O)=O)C2)ccn1 888102495 ACPSSNSLSNDRGP-MRXNPFEDSA-N 370.475 0.110 0 50 FCAA CN1CCC(O)(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)CC1 1565525409 SMFSYXSXDPEWGJ-HOTGVXAUSA-N 352.406 0.935 0 50 FCAA COC[C@H]1[C@H](NS(=O)(=O)c2cc(C(=O)O)ccc2OC)[C@H]2CCO[C@H]21 1565527260 WXMQBFVOZAEOJN-BAESOJJISA-N 371.411 0.722 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)n1 1615682552 VZKBPROWEPSZFB-KBPBESRZSA-N 364.475 0.290 0 50 FCAA COc1cccc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c1OC 1704334453 JAVVPCYXOCDPRU-STQMWFEESA-N 364.398 0.561 0 50 FCAA Cc1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc(C)c1O 1704338804 ZQSFAEFWSUMPHT-UONOGXRCSA-N 356.444 0.645 0 50 FCAA COC(=O)c1ccc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1 1857706669 ZFPGPQJCCQAYPI-ZNMIVQPWSA-N 366.439 0.272 0 50 FCAA COc1ccc(C)cc1S(=O)(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875244068 KZOWKWGDERHROZ-ZBFHGGJFSA-N 352.412 0.725 0 50 FCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc4n(n3)CCC4)C2)n1 1875397354 XCIYSJJUKAMMDL-CQSZACIVSA-N 369.473 0.964 0 50 FCAA Nc1cncc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)c2cnn[nH]2)C3)c1 1875406504 GAMIRGJMESIFKM-JRPNMDOOSA-N 355.402 0.453 0 50 FCAA CC(=O)N[C@]12CCOC[C@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 2325849194 IJDVMYNSMMGJBM-KDOFPFPSSA-N 355.398 0.635 0 50 FCAA COCCN1CCC[C@]2(CCCN2C(=O)c2cn3cccnc3n2)C1=O 2356152326 YWICJZHAGDUWEU-SFHVURJKSA-N 357.414 0.973 0 50 FCAA CO[C@@H]1C[C@@H](C(=O)N(C)Cc2c(C)noc2C)CC[C@H]1NS(C)(=O)=O 2356153135 SYEBHHNTYGUZDR-NWANDNLSSA-N 373.475 0.983 0 50 FCAA Cc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1 970274 HXBHDRKERDJSSI-UHFFFAOYSA-N 353.390 0.301 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(-n2cnnc2)c1 67513921 JCYDTQJJPJMJKO-HOCLYGCPSA-N 356.430 0.678 0 50 FCAA Cc1nnc(SCC(=O)N2CCN(C)C3(CCN(C)CC3)C2)nc1O 67818769 DIFHIWZCOKOWPL-UHFFFAOYSA-N 366.491 0.216 0 50 FCAA COc1nc2c(cc1CNC(=O)C1(C(N)=O)CC1)C(=O)N(C1CCCC1)C2 71755346 AZRDRGSXKPRZSD-UHFFFAOYSA-N 372.425 0.870 0 50 FCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)CC[C@H]21 72411317 WQOTTXULIAQVDI-GXTWGEPZSA-N 353.854 0.595 0 50 FCAA Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)n2nc(C)c(C)c2n1 72478980 WRNTYBFMLFLIHT-UHFFFAOYSA-N 352.464 0.583 0 50 FCAA CCS(=O)(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77355635 BGKLGZCOPIMWHK-UHFFFAOYSA-N 357.480 0.176 0 50 FCAA CN(Cc1ccccc1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77524350 ACTBOCAPWVSZBL-JKSUJKDBSA-N 373.482 0.688 0 50 FCAA O=C(c1cccc(Cn2cccn2)c1)N1CCCN([C@H]2COC[C@@H]2O)CC1 91625684 BVLHYWWNALEYKY-OALUTQOASA-N 370.453 0.839 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CN1C(C)C 96166636 VQKVPEXHCFEIMD-WFASDCNBSA-N 371.441 0.640 0 50 FCAA Cc1ccc([C@@H](CNC(=O)c2ccn3nnnc3c2)N2CCOCC2)o1 97436756 UNAZKNDZFDWJAW-CQSZACIVSA-N 356.386 0.829 0 50 FCAA COC(=O)CCNC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O 170625464 JKCUQRLXRMMARB-UHFFFAOYSA-N 363.345 0.737 0 50 FCAA COc1ccc([C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)c2ccncc2)cc1 215680002 WFQPKMHMMKIEJM-INIZCTEOSA-N 366.377 0.997 0 50 FCAA O[C@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@@H]1N1CCOCC1 216449615 CPOFEQOBQOKBGO-OALUTQOASA-N 372.469 0.839 0 50 FCAA CC(=O)c1cc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cs1 253384970 QVGLTOSBGPNHGI-WFASDCNBSA-N 372.468 0.729 0 50 FCAA O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc(Cl)s2)C1 274930730 DCQUUIQVHDEZMA-ZETCQYMHSA-N 352.821 0.613 0 50 FCAA O=C(Cn1ccc(O)nc1=O)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 299757211 JHZLIZVWUBVNDC-CQSZACIVSA-N 358.398 0.435 0 50 FCAA O=C(CCCn1cccn1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 299776870 DSJAURGJUPULHH-UHFFFAOYSA-N 368.503 0.821 0 50 FCAA CC(=O)Nc1ccc(C)c(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 299781127 DCTPYJIHYLBQNZ-CQSZACIVSA-N 369.443 0.967 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc3c(c2)CCCO3)C1 299788985 VSGMLQRWJYZXCP-CQSZACIVSA-N 354.428 0.402 0 50 FCAA CN(CCO)c1ccc(C(=O)N2CCC[C@H](c3nnc(CO)n3C)C2)cc1 299791299 CXACDPRBHDHMAR-HNNXBMFYSA-N 373.457 0.756 0 50 FCAA CCc1noc(C)c1CN1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1 328630410 JIYVOCVHYPLNAY-AWEZNQCLSA-N 361.446 0.976 0 50 FCAA O=C1CCCCN1CCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426412177 GGTSVNQSTCQCFB-ZDUSSCGKSA-N 361.446 0.586 0 50 FCAA O=C(c1c[nH]nc1-n1cnnn1)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 426668300 KNDRLRWPJMTXJU-QGZVFWFLSA-N 356.434 0.724 0 50 FCAA CO[C@@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)C[C@H]1c1cn(C)nn1 886075117 BWJZXXWJEVQSKH-DZGCQCFKSA-N 355.402 0.729 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)N[C@H](C(=O)O)c2ccc(F)c(Cl)c2)C1 952865359 ROLHJIMFEQDBNF-HZMBPMFUSA-N 371.796 0.918 0 50 FCAA NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](C3(O)CC3)C2)cc1 1772806374 XKPUMCFZTICYCD-LBPRGKRZSA-N 354.428 0.476 0 50 FCAA CS(=O)(=O)N1CC[C@]2(C1)Cn1c(nnc1Cc1ccccc1F)CO2 1772809283 RNMJJWCSTZXLSW-INIZCTEOSA-N 366.418 0.942 0 50 FCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3ccn4ncnc4c3)CC(=O)N21 1857695589 PVNLAIIBWIWBNP-IHRRRGAJSA-N 371.397 0.354 0 50 FCAA CCN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 2100556433 NHIQHVPRYKPZNC-RRFJBIMHSA-N 357.414 0.723 0 50 FCAA COC(=O)[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C)C2)Cc2ccccc21 2325758337 DIQFKDZRDUIFMQ-IUODEOHRSA-N 354.428 0.724 0 50 FCAA COC(=O)[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C)C2)Cc2ccccc21 2325758339 DIQFKDZRDUIFMQ-WFASDCNBSA-N 354.428 0.724 0 50 FCAA COCCN1Cc2nnc(Cc3nn[nH]n3)n2[C@H](Cc2ccccc2)C1=O 2356137763 YNZJTUJRXNMJKS-CYBMUJFWSA-N 368.401 0.154 0 50 FCAA Cn1ncc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1=O 19743816 PLNVXVVVQHONCI-OAHLLOKOSA-N 354.410 0.680 0 50 FCAA O=C1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1ccccn1 31601808 NHAGUZBMRCTJPJ-HNNXBMFYSA-N 366.425 0.569 0 50 FCAA COc1ccc([C@@H](N)CC(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1OC 72422588 NXHHVQLEIBFOGX-NPJQDHAYSA-N 364.442 0.684 0 50 FCAA Cc1ncc2c(c1CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)CCNC2 72434672 XSSQTCRDPRXKEL-UHFFFAOYSA-N 365.393 0.496 0 50 FCAA CN(CC(=O)N1CCC(CCn2cccn2)CC1)[C@H]1CCS(=O)(=O)C1 91535167 IHFZWGOGGTZKCF-INIZCTEOSA-N 368.503 0.631 0 50 FCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cnnn1)CC2 91713756 MAPZOJCMRANJOM-UHFFFAOYSA-N 372.433 0.099 0 50 FCAA CCCc1n[nH]cc1C(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91974011 ROWAFXMDPHVHAX-HUUCEWRRSA-N 350.463 0.765 0 50 FCAA CSc1nc(N)cc(N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)n1 95383864 VRMNUULCLSWPRS-QMTHXVAHSA-N 373.504 0.003 0 50 FCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 121862622 LZJPXFNDQJFFJH-SNVBAGLBSA-N 352.391 0.980 0 50 FCAA Cc1nn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nc2s1 215323650 BMLIZXDHLGDFAQ-UHFFFAOYSA-N 351.413 0.677 0 50 FCAA CN1CCN(CC2(CNC(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)CC1 215607430 OXGJOHBLBVRDJT-UHFFFAOYSA-N 369.473 0.635 0 50 FCAA Cc1nc2cc(CNC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)ccc2n1C 219440865 IHFYAGUNQWSGKL-CQSZACIVSA-N 364.471 0.617 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2cc(Cl)ccc2O)[C@H]2CCO[C@H]21 223822565 LZEOZZMLBDPPQK-GHORINQJSA-N 360.819 0.481 0 50 FCAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 244715923 LESPHPQIPHEWLT-HLLBOEOZSA-N 368.441 0.773 0 50 FCAA COc1ccc(-c2cc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)[nH]n2)cc1 299772125 YNVSKLCKWVNRQX-LLVKDONJSA-N 364.427 0.836 0 50 FCAA Cc1cc(C)cc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1 299801136 WOWJJNOJJJPNFX-HUUCEWRRSA-N 355.460 0.275 0 50 FCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)CC[C@H]2CCCO2)C1=O 328610186 GVSROTWDRFEOPA-ZIAGYGMSSA-N 370.475 0.887 0 50 FCAA O=C(O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 409444241 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CN(C)S(=O)(=O)C[C@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@@H]1O 1615965649 IBZIZGLUYFHHIB-KOLCDFICSA-N 363.823 0.122 0 50 FCAA CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ccncc3Cl)C[C@@]2(CO)C1 1772804650 CFNIOGASLOZNFW-HIFRSBDPSA-N 374.894 0.268 0 50 FCAA CC(C)[C@H]1CN2C[C@@H](NS(=O)(=O)c3ccc(C(N)=O)cc3)C[C@H]2CO1 1857726990 HBNWXEWFTWYWNB-OFQRWUPVSA-N 367.471 0.562 0 50 FCAA CCc1c(C)cc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(=O)n1C 1857730416 ROUOTTVAOIDRNT-BEFAXECRSA-N 359.426 0.820 0 50 FCAA O=C(c1cccc(-n2cnnc2)n1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857731931 UTKQEAXCQYQHLE-DYVFJYSZSA-N 354.370 0.226 0 50 FCAA COC(=O)/C=C/C(=O)NCc1ccc(N2C[C@H](C)CS2(=O)=O)cc1 1875378823 FJLASYKIVRZJHK-GUOLPTJISA-N 352.412 0.818 0 50 FCAA Cc1nc(C2CCN(C)CC2)c2n1CCN(C(=O)[C@H](O)c1cnn(C)c1)C2 1875394436 IYEFHZBJJSUUSK-GOSISDBHSA-N 372.473 0.810 0 50 FCAA Cc1[nH][nH]c2ncnc(=N[C@@H]3C[C@@H](NC(=O)[C@@H]4[C@H]5COC[C@H]54)C3(C)C)c1-2 1875405651 LFNPRECPYBDUDT-OJROKELRSA-N 356.430 0.622 0 50 FCAA Cc1ccnc(OC2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3C(=O)NC4)CC2)c1 2325789150 XOERZPXXJUVEEM-ZFWWWQNUSA-N 372.425 0.249 0 50 FCAA CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(-c2nn[nH]n2)cc1 2325807134 CRLMCTAGCNYUMX-JKSUJKDBSA-N 356.430 0.761 0 50 FCAA COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCC1 8476151 XGEWXJBZQQTACB-UHFFFAOYSA-N 354.428 0.952 0 50 FCAA COC(=O)CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 11878563 SLFIQDJJOKLKEV-HNNXBMFYSA-N 365.405 0.586 0 50 FCAA Cc1nccc(N2CCC[C@@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1 23430062 CVFVFFHVIDAIMD-OAHLLOKOSA-N 370.461 0.225 0 50 FCAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 32497808 NUORFQMGWLJDSC-CYBMUJFWSA-N 369.443 0.550 0 50 FCAA CCNC(=O)CCN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72454025 LTPRTDLXVSIBMU-OAHLLOKOSA-N 364.494 0.353 0 50 FCAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cnn2cc(CCO)cnc12 77356446 NZLBMMQCVUYNBV-CQSZACIVSA-N 360.414 0.722 0 50 FCAA CC[C@@H](NC(=O)c1cn(CCN)nn1)c1ccc(S(C)(=O)=O)cc1 77425178 IBCDFNBQYQBWSK-CYBMUJFWSA-N 351.432 0.521 0 50 FCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 77428932 ZIGJKPJSEVVALI-HNNXBMFYSA-N 364.427 0.263 0 50 FCAA O=C(c1ccccc1-n1cncn1)N1CCOC[C@@](O)(CN2CCCC2)C1 77487714 BSVJNQDSQYTTBD-LJQANCHMSA-N 371.441 0.567 0 50 FCAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cn3cc(Cl)cn3)cc2C1 82115703 RXFYNIRGIZGDIB-UHFFFAOYSA-N 365.825 0.547 0 50 FCAA CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 84459733 FMNDGZLUOKVKKK-STQMWFEESA-N 352.412 0.951 0 50 FCAA biogenic CCc1c(C)nn(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1C 91635666 LIZSJBJEWASYDD-LSDHHAIUSA-N 368.503 0.945 0 50 FCAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 97394534 OYSIIBADVSPTLN-MRXNPFEDSA-N 351.472 0.537 0 50 FCAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2cccc(N3CCNC3=O)c2)C1 97468348 FPCFNDZIWNEFMR-HNNXBMFYSA-N 373.457 0.533 0 50 FCAA O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 186126898 PPYZZZIWYLMINJ-ZDUSSCGKSA-N 359.398 0.550 0 50 FCAA O=C(c1ccncn1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 216956299 XWYYOBWQHDWZKS-CJNGLKHVSA-N 354.414 0.896 0 50 FCAA CCN1CCN(C(=O)c2cccc(N3N=C(C)[C@](O)(CC)C3=O)c2)CC1=O 222636810 FMTPEMVRJXLORP-LJQANCHMSA-N 372.425 0.855 0 50 FCAA Cc1nn(CCCNC(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)c(C)c1Cl 223500653 RPEOKRQYNRVXPV-GFCCVEGCSA-N 366.853 0.817 0 50 FCAA Cc1csc(=O)n1CCc1nc(Cn2nc3ccccn3c2=O)no1 225552641 WPRQKHKMUVECLA-UHFFFAOYSA-N 358.383 0.702 0 50 FCAA CNc1nc(CN2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cs1 247963620 ROBKCAHGNVQJSP-AAEUAGOBSA-N 359.521 0.887 0 50 FCAA C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1nc[nH]n1 266793929 WZDBZYAYCUDGEX-WDEREUQCSA-N 357.370 0.806 0 50 FCAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 299741923 HUGDFCKDVBVCAM-WCQYABFASA-N 360.366 0.744 0 50 FCAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 328636850 VRUHOGYGUSBMEP-CMPLNLGQSA-N 367.383 0.646 0 50 FCAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc3nnn(C)c3c2)cn1 330297955 LHKWSFSWDZBTBG-SGANQWHYSA-N 358.427 0.648 0 50 FCAA CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 332591865 NPJRQVNMMCQTSZ-JTQLQIEISA-N 367.431 0.693 0 50 FCAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 408394852 KQBVVDOBRMWUBQ-UHFFFAOYSA-N 354.354 0.721 0 50 FCAA Cc1ccc(-c2nnn(C)n2)cc1NC(=O)NCCSc1nnnn1C 426428000 MHOKMZDVWCSBFC-UHFFFAOYSA-N 374.434 0.623 0 50 FCAA CN(CCC(N)=O)C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 426477602 RWLBWMHCIQJZSK-VDUSKEEQSA-N 371.485 0.071 0 50 FCAA CN1C[C@@]2(CCN(C(=O)c3ccc(SCCO)cc3)C2)OCC1=O 584891421 RFXIOYJBMCCTKG-QGZVFWFLSA-N 350.440 0.844 0 50 FCAA O=C(O)c1ccc(F)c(S(=O)(=O)NCCN2CCC[C@@H](CO)C2)c1 670450750 DLRWJSCJAWLRBG-LLVKDONJSA-N 360.407 0.507 0 50 FCAA O=C1CC[C@H](C(=O)NCC2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)N1 952979248 NHYNFQCLQQBXEH-CYBMUJFWSA-N 359.430 0.534 0 50 FCAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)Cn3[nH]nnc3=N)O2)CC1 1506398029 RZTJJECOMUFTPM-CQSZACIVSA-N 363.466 0.182 0 50 FCAA Cc1nc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c2ccsc2n1 1529153560 GBABRSFXZWBUKW-CMPLNLGQSA-N 356.473 0.688 0 50 FCAA O=C(NCC(=O)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1)c1ccccc1 1565525668 CNAISWLBLWVTKG-GJZGRUSLSA-N 355.398 0.280 0 50 FCAA CN(C)C[C@@]12CN(C(=O)c3ccoc3)C[C@@H]1CN(C(=O)c1cnccn1)C2 1772706214 AKNIMIVBCQUWKG-BEFAXECRSA-N 369.425 0.846 0 50 FCAA Cc1cc(Br)cnc1C(=O)NC[C@]1(CO)COC[C@@H](C)N1C 1857531325 IKNKSKJSMSZCLX-ABAIWWIYSA-N 372.263 0.964 0 50 FCAA NC(=O)c1cn2c(n1)CCN(C(=O)CCc1n[nH]c3c1CCCC3)CC2 1875248824 QHROEMCUNOAKCA-UHFFFAOYSA-N 356.430 0.601 0 50 FCAA Cn1cccc1C(=O)N[C@@H]1C[C@@H](C(=O)N2CCc3nocc3C2)CC[C@H]1O 1875250424 XIWSRZHRYQZQQF-XGWLTEMNSA-N 372.425 0.857 0 50 FCAA COC(=O)/C=C/CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1875312024 RDHCZACKGHZBRC-BPFGOOJPSA-N 364.373 0.175 0 50 FCAA O=C(O)[C@H](Cc1cn(CCc2ccccc2)nn1)NC(=O)[C@@H]1CCOC1 1875325109 QXAGZDYHIUGGEQ-ZBFHGGJFSA-N 358.398 0.669 0 50 FCAA CC(C)n1cc(C[C@H]2NC(=O)N(CCCn3ccccc3=O)C2=O)nn1 1875361144 RBFYPAKNZNAHEQ-CQSZACIVSA-N 358.402 0.574 0 50 FCAA NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CCOc1ccccc1F)C2 1875395808 MPLJDGVYKCKQGN-LLVKDONJSA-N 370.402 0.096 0 50 FCAA Cn1c(C(=O)N2CCN([C@H]3CCOC3)C(=O)C2)cc2ccccc2c1=O 2325803090 PKOQTXWVNFMOCK-AWEZNQCLSA-N 355.394 0.612 0 50 FCAA CC(C)CN(C(=O)CNC1(CN)CCCCC1)[C@H]1CCS(=O)(=O)C1 2325805098 PCCODZIRSYWNDZ-HNNXBMFYSA-N 359.536 0.909 0 50 FCAA CCOC(=O)c1cnc(SC(C(=O)OCC)C(=O)OCC)nc1N 5796498 IAYMILCUXGQRJB-UHFFFAOYSA-N 357.388 0.822 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCS(=O)(=O)CC2)CN1Cc1cccc(F)c1 12717085 UPFDBSAGGGBLRN-CQSZACIVSA-N 368.430 0.821 0 50 FCAA COCCCn1c(CN2CCN(C(C)C)CC2)cnc1S(C)(=O)=O 20911016 YYJBQFVQGFTNLC-UHFFFAOYSA-N 358.508 0.849 0 50 FCAA O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1 23247686 QWEWGXUTRTXFRF-KBPBESRZSA-N 366.416 0.197 0 50 FCAA investigational COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCO)c(C)c1C 72146373 RYEXQWWLSNTBNT-MRXNPFEDSA-N 363.458 0.453 0 50 FCAA CCc1nccn1CCC(=O)N1CCNC[C@H]1C(=O)NCc1ccncc1 72161277 SREUJVNMBHFTBO-INIZCTEOSA-N 370.457 0.347 0 50 FCAA CN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72164285 WKFPALVBWFMFTQ-CQSZACIVSA-N 357.813 0.620 0 50 FCAA Cc1cccn2c(CC(=O)N3CCNC[C@@H]3C(=O)N3CCCC3)cnc12 72165821 PYURTJRVPXUENW-MRXNPFEDSA-N 355.442 0.608 0 50 FCAA O=C(C[C@@H]1COCCN1C(=O)c1ncn[nH]1)Nc1ccc(F)cc1F 72411494 HJSFDOLZLMBYFW-SNVBAGLBSA-N 351.313 0.953 0 50 FCAA O=C1NC[C@@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)N1 91325535 XSWZHSOQQNSHMB-HNNXBMFYSA-N 371.441 0.494 0 50 FCAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 91663318 PRXWVJTZPKJHJZ-OAHLLOKOSA-N 363.462 0.329 0 50 FCAA CN(C)CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 95387409 UBWPUNPUERKLHH-CQSZACIVSA-N 355.460 0.387 0 50 FCAA C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1CO 190843970 ORZZIZLONBUMLP-SJORKVTESA-N 353.507 0.698 0 50 FCAA Cc1cccc(=O)n1CCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 215063621 YPPUDLYMAPYGHJ-UHFFFAOYSA-N 354.366 0.507 0 50 FCAA Cc1noc(C)c1CCC(=O)N1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 222448897 KEMPYPHYODFPJA-HOCLYGCPSA-N 373.413 0.406 0 50 FCAA O=C1[C@@H]2[C@@H](C(=O)N1CCN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)[C@H]1C=C[C@H]2C1 239415340 UEULCXCLKPGFQR-CRBPUFEYSA-N 352.390 0.601 0 50 FCAA C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 252693648 FITUUBFJCVHWRH-INARBTAWSA-N 369.421 0.730 0 50 FCAA biogenic C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C[C@@H](C(=O)O)O1 262987167 RXOKPMGAXUHFMO-ZPQPFTAQSA-N 361.354 0.055 0 50 FCAA Nc1ncnc(N[C@@H]2CCCN(CCN3CCOCC3)C2=O)c1Cl 375424031 DXUARKQKXZEDRA-LLVKDONJSA-N 354.842 0.447 0 50 FCAA COC(=O)c1cn([C@H](CO)[C@@H](O)c2ccc(N)cc2)cc2c(O)nnc1-2 409415483 LOZYPNQGFGOHAJ-HIFRSBDPSA-N 358.354 0.724 0 50 FCAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)no1 426632849 IAFKPPQWCRRUKN-HNNXBMFYSA-N 357.414 0.427 0 50 FCAA Cc1nonc1CC(=O)N1CCOC2(CCN(Cc3nccn3C)CC2)C1 670452566 JGYQCBJAHJBJJP-UHFFFAOYSA-N 374.445 0.548 0 50 FCAA NS(=O)(=O)CCCC(=O)N[C@H]1CCCN(Cc2cccc(O)c2)C1 828013051 LNKKISJHSIHDGT-AWEZNQCLSA-N 355.460 0.542 0 50 FCAA CCN1CCO[C@@H](CNc2ccc(C(=O)NC)nn2)[C@@H]1c1ccnn1C 886079959 NPNDZGMPDUAQCP-HOCLYGCPSA-N 359.434 0.444 0 50 FCAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 888093545 FKEBVEXDZIYNQL-HBUWYVDXSA-N 366.462 0.155 0 50 FCAA COc1cccc(N2C[C@H](NC(=O)N(C)Cc3cn(C)nn3)CC2=O)c1 888101271 BMJJGULVISCKRU-GFCCVEGCSA-N 358.402 0.771 0 50 FCAA COc1ccc([C@H]2CN(CC(=O)N3CCNCC3)C[C@@H]2NC(C)=O)cc1 1565527908 DGWAOFZOZFHKBX-MSOLQXFVSA-N 360.458 0.031 0 50 FCAA O=C(O)[C@H]1CN(C(=O)c2cc(N3CCOCC3)no2)CC12CCOCC2 1775979247 HIZSHWAMAJLWRF-GFCCVEGCSA-N 365.386 0.465 0 50 FCAA COc1ccc(Cc2nnc3n2C[C@]2(CCN(C(=O)CO)C2)OC3)cc1 1857706843 STYKLNVSEYTYEZ-GOSISDBHSA-N 358.398 0.371 0 50 FCAA Cn1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)cn1 1857735442 FAKLSORFWIYPDE-ROUUACIJSA-N 371.441 0.730 0 50 FCAA CC(C)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 1857797976 HHFBTORVYSBGFT-ZDUSSCGKSA-N 352.412 0.651 0 50 FCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)NCC1(C)CCCC1)C2 1875393091 GCWBOLNQFINGPX-GFCCVEGCSA-N 357.476 0.511 0 50 FCAA COc1cccc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3nccn3C)C2)c1 2100534901 ZBAMATPMCSMJJO-BPUTZDHNSA-N 372.425 0.614 0 50 FCAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(C2CC2)C1=O 2325768841 WDBVKQPMOVLIQC-UONOGXRCSA-N 357.476 0.749 0 50 FCAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCn2c(n[nH]c(=O)c2=O)C1 2325800616 XZKNLCIISKVCNH-MCIONIFRSA-N 364.446 0.751 0 50 FCAA CN(C(=O)c1ccc(=NCC23C4C5C6C4C2C6C53)[nH]n1)C1CCNCC1 2332239240 XQONCSBGLRZVFW-UHFFFAOYSA-N 351.454 0.502 0 50 FCAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CN2C1=O 14531942 GKYMIMZSJJPUIA-ZBPZKIAKSA-N 366.805 0.310 0 50 FCAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC)N(C)C2)cc1 65509303 QIRNWROKPDZZPW-KBPBESRZSA-N 369.443 0.424 0 50 FCAA NCC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67692678 FKDIAEKWLSWLAI-UHFFFAOYSA-N 371.397 0.986 0 50 FCAA COc1nc2c(cc1CNC(=O)Cn1cnnn1)C(=O)N(C1CCCC1)C2 71759968 WGMDGDZNWXFNKR-UHFFFAOYSA-N 371.401 0.292 0 50 FCAA CC(C)Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)N2CC=CC2)nc(=O)[nH]1 72479994 URCMRSAAKMXHIT-HNNXBMFYSA-N 374.441 0.598 0 50 FCAA 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CCC(=O)N1CCN(Cc2cccc3nonc23)[C@@H]2CS(=O)(=O)C[C@@H]21 222317821 KZMDOJXJSGJLAD-KGLIPLIRSA-N 364.427 0.443 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2 222994087 WARUDAQWQJWACR-MRXNPFEDSA-N 359.430 0.072 0 50 FCAA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)CN2CCCC2=O)c(C)[nH]1 252550887 SZSMHVZXWPMXSB-QGZVFWFLSA-N 362.474 0.913 0 50 FCAA CCCN(CC(=O)O)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 262434528 OWNYIAZYHVRYMA-UHFFFAOYSA-N 364.445 0.422 0 50 FCAA O=C(CN1CCOc2ccccc2C1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299778289 FZDBKRUNHMTJDJ-WMZOPIPTSA-N 369.425 0.845 0 50 FCAA CCn1nncc1C(=O)N1CC[C@H](N(C(=O)c2cnnn2CC)C2CC2)C1 328933238 DTQJTTVLGMXKLO-ZDUSSCGKSA-N 372.433 0.429 0 50 FCAA CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2C[C@H]3CCCN3C[C@@H]2C)nn1 332889141 IQXQPDYIBRZALO-LCGIIJARSA-N 364.450 0.243 0 50 FCAA COc1ccccc1N1CCN(C(=O)NCc2nc(C(N)=O)no2)[C@@H](C)C1 584893729 IGVPDKCAADCBLG-NSHDSACASA-N 374.401 0.597 0 50 FCAA NC(=O)C[C@H]1CCCCN1c1ncnc2c1ncn2C[C@@]1(O)CCOC1 888097387 HUMVGJLIRJPVKP-PXAZEXFGSA-N 360.418 0.212 0 50 FCAA N[C@@H]1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C[C@@H]1n1ccnn1 952852954 QVIGLYBXUJMXRX-KOLCDFICSA-N 356.308 0.639 0 50 FCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)NCc2ccc3cc[nH]c3n2)n1 952887835 KLQKPKMZXPWUJQ-OAHLLOKOSA-N 354.414 0.793 0 50 FCAA CN1CCN(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)CC1 1073328641 YJZZXUSJUPWYOT-HIFRSBDPSA-N 363.487 0.933 0 50 FCAA NC(=O)CN1CCC[C@@H](NC(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 1320570799 XZKZEUNXHPOLPY-GFCCVEGCSA-N 363.368 0.830 0 50 FCAA CSc1ncc(C(=O)O)c(NCCCN2CCC[C@@H](C(N)=O)C2)n1 1506407356 NHYYYUXCSXTZPP-SNVBAGLBSA-N 353.448 0.896 0 50 FCAA Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565508920 XWIHXOCKNJGXCH-OCCSQVGLSA-N 374.441 0.988 0 50 FCAA Cc1[nH]nc(CCC(=O)N[C@H]2CCOC[C@@H]2OCC(=O)N(C)C)c1C 1565516957 HVYQHAVDJUVUQV-GJZGRUSLSA-N 352.435 0.338 0 50 FCAA Cc1cc(=O)c(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)c[nH]1 1565526052 JKMGRXUJFOQWRW-BBRMVZONSA-N 356.382 0.084 0 50 FCAA 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CC(=O)N1C[C@@H](NS(=O)(=O)c2ccnn2C)CC[C@H]1C(F)(F)F 886039403 BTKASCXZYOHSOH-UWVGGRQHSA-N 354.354 0.640 0 50 FCAA Cc1cc2ncc(C(=O)N[C@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)c(C)n2n1 888095593 SHLVHGCKHVGHKI-ZQIUZPCESA-N 357.414 0.902 0 50 FCAA C=CC(=O)N(CC)CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 900679529 NKEBHINAUNTOIL-UHFFFAOYSA-N 367.418 0.402 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)C1 952963355 JRGOXPCOVYELPU-GFCCVEGCSA-N 359.414 0.770 0 50 FCAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(Cc3cc(O)nc(O)n3)C[C@@H]21 1073382957 KMEZECFCPCZXBW-SGTLLEGYSA-N 373.365 0.959 0 50 FCAA CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCSC[C@@H]1c1nn[nH]n1 1448020767 PLFGRTZUXVPMIL-NXEZZACHSA-N 372.451 0.092 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)C(=O)N1 1506418179 FFCPRCXKKCIVJM-UHFFFAOYSA-N 372.473 0.630 0 50 FCAA OC1CCN(c2ccnc(N3C[C@H](O)[C@H](Cc4ccncc4)C3)n2)CC1 1704307877 LBFKCMQCROXKPI-WBVHZDCISA-N 355.442 0.873 0 50 FCAA O=C(Cn1nc2ccccc2n1)Nc1nnc(CCN2CCOCC2)s1 1875249002 DBKRGEGIIZVOOD-UHFFFAOYSA-N 373.442 0.796 0 50 FCAA Cc1nc(CS(=O)(=O)NC(=O)c2cn(C)nc2OCC(F)F)no1 1875313241 MVYSUWOPAVDNKZ-UHFFFAOYSA-N 365.318 0.015 0 50 FCAA COC(=O)/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 1875318068 CPBHRUSGRRVYSF-QQQVMXRDSA-N 371.437 0.817 0 50 FCAA C=CC(=O)N1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)[C@@H](C)C1 1875381139 LKIXABSAGZJXQM-BUXKBTBVSA-N 370.409 0.600 0 50 FCAA Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]2[C@@H]3CNC(=O)C2(CO)CC2)nn1 1875406403 CSPBYHRKXMQCRM-FMKPAKJESA-N 358.442 0.914 0 50 FCAA O=C(c1cnsn1)N1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCS(=O)(=O)C1 1875406641 IYHCXNNGHWSFJE-UTUOFQBUSA-N 356.473 0.262 0 50 FCAA CNC(=O)c1cc(NC(=O)c2cccn3cnnc23)cc(C(=O)NC)c1 2325873002 VABLAVMGLMYERU-UHFFFAOYSA-N 352.354 0.701 0 50 FCAA NC(=O)NCCC[C@H](N)C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356136835 LRLUVHCCTOGERY-AWEZNQCLSA-N 371.445 0.106 0 50 FCAA Cc1cc(C)nc(CCNC(=O)Cn2nnnc2CN2CCCCCC2)n1 11879726 WACFROICIPAMDN-UHFFFAOYSA-N 372.477 0.815 0 50 FCAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 12702309 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352.464 0.457 0 50 FCAA CC(=O)N1CCN(Cc2ccccc2OCCn2ccnc2)C[C@H](O)C1 91563114 XYMNIOYJHXYOFW-SFHVURJKSA-N 358.442 0.987 0 50 FCAA CN1CC[C@@]2(CCC1=O)CN(C(=O)CCN1CCCC1=O)CCN2C 91770198 ANAUSJDCMJPQIC-SFHVURJKSA-N 350.463 0.154 0 50 FCAA Cn1ncc2c(O)c(C(=O)NCC(=O)N3CCc4ccccc43)cnc21 132646499 YWGNQCLOSVLHPY-UHFFFAOYSA-N 351.366 0.993 0 50 FCAA CN1CCOC[C@H](CNC(=O)c2ccccc2N2CCC(=O)NC2=O)C1 215473587 PSYWDRMDASRTPP-CYBMUJFWSA-N 360.414 0.441 0 50 FCAA CN(C)C(=O)N1CCC(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)CC1 218877087 WHBSKXFUSPMIMT-BCLQGDPASA-N 363.462 0.742 0 50 FCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1cnn(-c2cccc(C)c2)c1 220476331 GVZUZSURNQDLDC-INIZCTEOSA-N 357.414 0.567 0 50 FCAA O=C(Cn1ccc(O)nc1=O)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 253535453 ZGKLQJAXXHKXNH-ZYSBLVPFSA-N 365.336 0.856 0 50 FCAA CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 262078009 KLJOTMXXBQGQFV-RDJZCZTQSA-N 360.458 0.092 0 50 FCAA COc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1-n1nnnc1C 263966143 GINNCSRGIPUGAS-UHFFFAOYSA-N 358.358 0.457 0 50 FCAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)OCO2 272080119 ARYSRRLJZXPIKG-NSHDSACASA-N 366.399 0.967 0 50 FCAA COc1cc(Cl)c(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1OC 279657001 CFUGQCBLVDARAR-SECBINFHSA-N 364.807 0.232 0 50 FCAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(CCN(C)C)CC(=O)O 299741678 ACXRDTBLOQJRQL-KRWDZBQOSA-N 361.442 0.997 0 50 FCAA Cc1cc(N2CCC[C@H](N(Cc3ccon3)S(C)(=O)=O)C2=O)n(C)n1 328615477 YOYYNJUCIVRKAL-ZDUSSCGKSA-N 367.431 0.674 0 50 FCAA O=S(=O)(C1COC1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 330272967 YLKOQZBROJKHQL-UHFFFAOYSA-N 372.394 0.798 0 50 FCAA CCS(=O)(=O)NC1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1 365721062 XOCAPWMKFDNZJU-UHFFFAOYSA-N 352.456 0.447 0 50 FCAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCNC(=O)c1cccnc1 426517607 RLRHVQQSQSKNJQ-CQSZACIVSA-N 356.430 0.291 0 50 FCAA Cc1cccc2ncc(C(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)c(=O)n12 426627608 CCEJTCTURXUCBU-CYBMUJFWSA-N 363.439 0.900 0 50 FCAA O=C(NCc1cnc2cnccn12)N1CCC[C@@H](C(=O)N2CCOCC2)C1 827921799 GJBZHZWFQBXZNA-CQSZACIVSA-N 372.429 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CCc1c(C(=O)N2CC(=O)N3CCOC[C@@H]3C2)nnn1Cc1ccccc1 2325786888 UBIMANOOYZHBQO-HNNXBMFYSA-N 369.425 0.572 0 50 FCAA Cc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)c1 14747706 YRZWSOQFPLKVNC-JYJNAYRXSA-N 358.442 0.322 0 50 FCAA COC(=O)[C@@H](NC(=O)Cn1nnnc1CN(C)C(C)C)c1ccccc1 19800045 GIWUYRMKDCINLO-INIZCTEOSA-N 360.418 0.544 0 50 FCAA CN(CCO)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67817063 QUOORRWELPUYGJ-UHFFFAOYSA-N 360.458 0.985 0 50 FCAA CN(C)S(=O)(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72407042 WQTOUSDACQRARP-ZDUSSCGKSA-N 356.496 0.397 0 50 FCAA OCC[C@H]1CN(c2nc(-c3cccnc3)nc3c2CCNCC3)CCO1 72419536 CVUVNSVVJANLNH-HNNXBMFYSA-N 355.442 0.814 0 50 FCAA COc1ccccc1CC(=O)N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 77488397 OETJEUXWQKKNTO-GDBMZVCRSA-N 370.409 0.420 0 50 FCAA O=C(CCc1cc2n(n1)CCCN(Cc1c[nH]cn1)C2)N1CCOCC1 91493721 ZDSUEUANDLFJMU-UHFFFAOYSA-N 358.446 0.804 0 50 FCAA CN1C(=O)[C@H](CC(=O)N2CCCN(C(=O)c3ccco3)CC2)N(C)C1=O 92022802 SPABZWMGFPHVQE-LBPRGKRZSA-N 362.386 0.237 0 50 FCAA 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0.142 0 50 FCAA COCCn1c(C)cc(C)c(C(=O)Nc2nc(CC(N)=O)cs2)c1=O 253414714 YIJJFRDPPSRHON-UHFFFAOYSA-N 364.427 0.848 0 50 FCAA O=C(O)c1cccc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 263462602 CBRJNJWURFMNED-UHFFFAOYSA-N 352.372 0.420 0 50 FCAA CS(=O)(=O)c1ccccc1-n1cc(C(=O)N2CCC[C@@H]2C(=O)O)cn1 299743318 KHDYJNRFBOJINH-CYBMUJFWSA-N 363.395 0.965 0 50 FCAA CSCc1noc(CN2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)n1 299757493 KKNYTBQDVZGYHB-ZYHUDNBSSA-N 367.431 0.594 0 50 FCAA Cc1ccnc(N2CCN(C(=O)[C@@](C)(O)Cn3c(C)cccc3=O)CC2)c1 332058464 OOECGQCIBYZZNZ-FQEVSTJZSA-N 370.453 0.960 0 50 FCAA CS(=O)(=O)N1CC[C@@H](CNC(=O)C2CN(C(=O)C3CCCCC3)C2)C1 333194455 PCCGYDPOHLDOHI-ZDUSSCGKSA-N 371.503 0.423 0 50 FCAA C[C@H]1[C@@H](C)N(C(=O)c2cn(C)nc2[C@@H]2CCCNC2)CCS1(=O)=O 333549810 JHFDJLFJSDRAEY-FRRDWIJNSA-N 354.476 0.535 0 50 FCAA O=C(NCCN1CCCC[C@@H]1CO)N1CCN(c2ccccc2)C(=O)C1 426734482 MNYLVAZPWZWLRR-QGZVFWFLSA-N 360.458 0.892 0 50 FCAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C[C@@H]1CS(=O)(=O)CCN1C 886077967 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NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)NCc2ccc3c(c2)CCCC3)C1 1857685274 GMCLVERCITZXGQ-YLJYHZDGSA-N 357.454 0.615 0 50 FCAA COC(=O)[C@@]1(CNC(=O)C[C@@H](N)c2ccccc2)C[C@@H]1S(C)(=O)=O 1875383263 MOYXWTPRBZJNIV-DVOMOZLQSA-N 354.428 0.169 0 50 FCAA Cn1nnc([C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)CCO2)n1 2100473615 MLKZSDOUGRAUQX-AWEZNQCLSA-N 357.418 0.809 0 50 FCAA Cn1nnc([C@H]2CN(C(=O)c3c[nH]c(=N)nc3-c3ccccc3)CCO2)n1 2100539695 USVSMEQQCUBISJ-CYBMUJFWSA-N 366.385 0.293 0 50 FCAA COc1nc(OCCNS(=O)(=O)c2ccc(C)cc2)nc(N(C)C)n1 2849470 ZFAQKYWJKPJFPP-UHFFFAOYSA-N 367.431 0.612 0 50 FCAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 4042226 LSQZJLSUYDQPKJ-ICUOPCATSA-N 365.411 0.024 0 50 FCAA endogenous,in-man COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 4177200 GXBYWDGRXRMMAT-HNNXBMFYSA-N 363.370 0.368 0 50 FCAA Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12751477 IFUXDTCDCUUXEX-NSHDSACASA-N 352.464 0.600 0 50 FCAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cnn(C)c1)CC2 19741807 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COc1nc2c(cc1C(=O)N1CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]31)CCC2 77423155 QKLDDRGAPIJTKP-CABCVRRESA-N 365.455 0.132 0 50 FCAA Cc1nn(CC(=O)NC[C@H]2CCCOC2)c(=O)n1-c1ccc2c(c1)OCO2 77518630 LKMZSJJDRLHCPO-CYBMUJFWSA-N 374.397 0.614 0 50 FCAA CN(C)C[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)C[C@@H]1CO 91859974 SZRNUFNLUWRXJB-HUUCEWRRSA-N 359.430 0.693 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCCC2)CN1C(=O)c1cncnc1C 96153830 DALFEYXKCIUXLN-HOCLYGCPSA-N 373.457 0.811 0 50 FCAA Cc1nnnn1-c1ccc(NC(=O)N2CCC[C@](O)(CN(C)C)C2)cc1 96167169 IOKGGLXUGOUNNK-KRWDZBQOSA-N 359.434 0.891 0 50 FCAA Cc1cc(O)n2nc(CC(=O)N3CCO[C@@H](c4cccnc4)C3)nc2n1 220478009 IGAUDGOOOIUVAW-CYBMUJFWSA-N 354.370 0.676 0 50 FCAA Cn1cc([C@@H](NC(=O)c2nc(N)nc3c2CCCC3)[C@H]2C[C@@H](O)C2)cn1 223534551 ZKHBCCFWBUVSMG-WBIUFABUSA-N 356.430 0.913 0 50 FCAA Nc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)c(C(F)(F)F)n1 223942256 IOSJJZVNDDODKA-SFYZADRCSA-N 364.280 0.066 0 50 FCAA CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)CC1=O 262670269 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C[C@H]1CN(c2cc(CNC(=O)[C@@]34CCN(C)C[C@@H]3CNC4)ccn2)CCO1 1875277127 KNWGNHXTHRHICG-RIFZZMRRSA-N 373.501 0.464 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)N2CCC2)N1Cc1ccccc1 1875396731 SVIFKYZQOPHXBC-WBVHZDCISA-N 369.487 0.179 0 50 FCAA CN(C(=O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)CC1 1875407052 RUGSWTUIYHNMFQ-DXPMWCSASA-N 358.446 0.461 0 50 FCAA CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325795017 ZRBKKGGCDPWLPI-CABZTGNLSA-N 357.819 0.815 0 50 FCAA CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCNC2=O 2325875414 QZIRRYODZCSDGY-HIFRSBDPSA-N 365.455 0.420 0 50 FCAA CC[C@@H](NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895440 AAMDIBSFUBBLCW-CHWSQXEVSA-N 373.365 0.041 0 50 FCAA Cc1ccc(NC(=O)COC(=O)CSCc2c[nH]c(=O)[nH]c2=O)cc1 5794418 VWDRKUFHTBAWRE-UHFFFAOYSA-N 363.395 0.787 0 50 FCAA C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3CCOCC)n(C)c1=O 8706119 YGEZAOILXWSABP-FNORWQNLSA-N 360.418 0.705 0 50 FCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCO2)c(OC)c1 12708376 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266024726 UZQXERKTNWLJKB-JQWIXIFHSA-N 363.399 0.415 0 50 FCAA C[C@@H](CN1CCCC1=O)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 274783597 KTGXCUTXLQHYHE-ZDUSSCGKSA-N 365.455 0.996 0 50 FCAA O=C(O)[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 299748545 HKNLVEWNUIQQMQ-TVQRCGJNSA-N 354.309 0.630 0 50 FCAA O=C(CCCc1cn[nH]c1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299793801 JDIBXRCKTKSOHG-UHFFFAOYSA-N 369.491 0.607 0 50 FCAA CN1C(O)=N[C@@H]2CN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)CC[C@@H]21 328768878 QKCIFAYPEFYTQR-SFYZADRCSA-N 367.353 0.430 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)N2CCCC2)cc1 670461271 KAXIDFPQEQSKHA-UHFFFAOYSA-N 361.489 0.594 0 50 FCAA Cc1nc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cn1C 828189061 WPUPBHIDGAHNFL-GFCCVEGCSA-N 352.416 0.905 0 50 FCAA Cn1cnnc1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565527083 PUSCNWCBPQOTKX-STQMWFEESA-N 351.432 0.695 0 50 FCAA Cc1cc(Cl)cc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1616083604 YGACNKQGLIDZPR-OCCSQVGLSA-N 360.863 0.973 0 50 FCAA CC1(C)CNC(=O)C2(CCN(C(=O)c3n[nH]c4c3COCC4)CC2)NC1 1772807546 YSWXYDCTGUJHLI-UHFFFAOYSA-N 361.446 0.203 0 50 FCAA COCCn1c(C[C@@]2(O)CCCN(C(C)=O)C2)nnc1N(C)C1CC1 1775957927 STXSKGBTWHQWDZ-KRWDZBQOSA-N 351.451 0.439 0 50 FCAA COc1ccc2oc(N3CCC[C@H](CC(=O)NC(CO)CO)C3)nc2c1 1857730478 SYGJQQMEUVLHNR-GFCCVEGCSA-N 363.414 0.912 0 50 FCAA CC(C)(C)[C@@H]1CCCN(C(=O)NS(=O)(=O)CCn2cnnn2)CC1 1875330987 KJYOBGAFUBOVGK-GFCCVEGCSA-N 358.468 0.861 0 50 FCAA C=CC(=O)Nc1ccc(C(=O)N2CCC3=NS(=O)(=O)NC=C3C2)cc1 1875371011 LPFWYEOIAFXRDV-UHFFFAOYSA-N 360.395 0.830 0 50 FCAA CN1CCc2cc(C(=O)NC[C@H]3C[C@@H](O)CN3c3cc(N)ncn3)ccc21 2325786149 GGFMOIHHZJAGHY-HUUCEWRRSA-N 368.441 0.421 0 50 FCAA O[C@H](CN1CCN(Cc2cn[nH]c2)CC1)Cn1cc(Br)cn1 2325800605 WSTAYXQFFBXCEF-CQSZACIVSA-N 369.267 0.547 0 50 FCAA CNc1cc(N2C[C@H](O)C[C@@H]2CNc2ncc3c(n2)CCOC3)ncn1 2325848765 QOVOUPDWBNRJAU-CHWSQXEVSA-N 357.418 0.433 0 50 FCAA Cc1ccc(C)c(C(=O)N[C@@H]2C[C@@H](O)CN(C(=O)c3cc(F)n[nH]3)C2)n1 2325877753 ZGALNPNIJYBLQK-VXGBXAGGSA-N 361.377 0.566 0 50 FCAA Cc1nc(COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)co1 2325893888 USQIRNNDZGVZJZ-CQSZACIVSA-N 369.333 0.963 0 50 FCAA CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 1858214 CDSHCXDIRXYMEO-ZDUSSCGKSA-N 372.259 0.024 0 50 FCAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CCCO1 4841373 WGPZMAFTFXVBBV-CQSZACIVSA-N 368.455 0.925 0 50 FCAA OC1CCN(C[C@@H](O)COc2cccc(CNCCn3cccn3)c2)CC1 14977610 WUFGESOYVIVCIK-LJQANCHMSA-N 374.485 0.869 0 50 FCAA C[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cncn1 72163951 WIMSTCRURYVMBJ-NSHDSACASA-N 351.370 0.569 0 50 FCAA O=C1CC[C@H]2CN(S(=O)(=O)N3CCCC3)CC[C@H]2N1CCCCO 72419187 HBUUZPFIMBLCTC-LSDHHAIUSA-N 359.492 0.412 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 72423664 ONUPWRZRQDTORI-AWEZNQCLSA-N 358.446 0.995 0 50 FCAA NC(=O)CNc1nc(C2CC2)nc2c1CCN(c1ncc(F)cn1)CC2 72457189 BZZDHZNCRIEMBT-UHFFFAOYSA-N 357.393 0.786 0 50 FCAA CC(C)N1CCO[C@@H](CC(=O)NCc2cc(N3CCOCC3)ncn2)C1 72477487 QHJYGMCDMAVGQL-INIZCTEOSA-N 363.462 0.429 0 50 FCAA CCCNC(=O)c1ccc(NC(=O)N2CCNC(=O)[C@@H]2CCO)c(C)c1 96139380 VZDWRFZWPDLPSI-HNNXBMFYSA-N 362.430 0.850 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 127791374 BBEYYZHXBDUKQI-UHFFFAOYSA-N 368.415 0.802 0 50 FCAA Cc1nn(CC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)cc1Cl 220751437 TXPSKEJXZXXCDL-UHFFFAOYSA-N 361.789 0.665 0 50 FCAA CSCc1nc(CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cs1 222453186 JOOMUHKHEWCANQ-UHFFFAOYSA-N 354.457 0.523 0 50 FCAA O=C(Cn1ccc(=O)cc1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 223854514 WYLWYINZWCEDSU-QZTJIDSGSA-N 358.394 0.693 0 50 FCAA CN1CCN(C)[C@@H](CC(=O)NCCNC(=O)c2ccccc2Cl)C1 244678531 IFHTXDBIKMGLGW-ZDUSSCGKSA-N 352.866 0.822 0 50 FCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(S(N)(=O)=O)o2)C1 276641751 XRSCXGBOXZQZNY-LBPRGKRZSA-N 357.432 0.110 0 50 FCAA CCn1c(C)nnc1CN1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 486326868 DYMIERZDXLJJNW-CQSZACIVSA-N 353.467 0.691 0 50 FCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)Cn1ncc2ccccc21 818365639 BVQFQGKMEZKLAK-AWEZNQCLSA-N 353.386 0.093 0 50 FCAA 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CN(C)C[C@@]12CN(Cc3cncnc3)C[C@H]1CN(C(=O)C1CCOCC1)C2 1772807585 PJHAURZDNVFXOX-ICSRJNTNSA-N 373.501 0.725 0 50 FCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cc(=N)[nH][nH]2)cn1 1857719465 NMXJURZVCBMJQU-RDJZCZTQSA-N 373.461 0.624 0 50 FCAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@H]12 1857734023 AHGUIIYNEVWYHF-ZQIUZPCESA-N 352.456 0.617 0 50 FCAA O=C(c1ccc(Cn2cc(CO)nn2)cc1)N1CCN([C@H]2CCOC2)CC1 1875361781 BFHGDRGGPMFGAU-SFHVURJKSA-N 371.441 0.365 0 50 FCAA Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 2325849595 UYTVMXUKQKTXLW-NUEKZKHPSA-N 360.414 0.405 0 50 FCAA O=C1COc2ccc(C(=O)NC[C@@H]3CN(CCCF)CCO3)cc2N1 2325867753 FLAAYWPEKUAYJJ-CYBMUJFWSA-N 351.378 0.808 0 50 FCAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCO[C@@H](c2nnnn2C)C1 2356167345 XMPXSMHOWZPLOB-CQSZACIVSA-N 366.385 0.584 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(N)n2C[C@@H](O)COc1ccc(Cl)cc1 625889 KWKBEXMXBMKTSC-SECBINFHSA-N 365.777 0.099 0 50 FCAA O=C(O)/C=C/C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 9305022 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KBGZDMVCDRIHQL-AWEZNQCLSA-N 365.455 0.679 0 50 FCAA CCCN1CCC(N2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)CC1 219472267 CRJYVMGPCQSMQH-QGZVFWFLSA-N 370.519 0.651 0 50 FCAA Cc1nnsc1CN1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 248055064 YIZVZAPCBWXEMB-KGLIPLIRSA-N 367.475 0.574 0 50 FCAA O=C(O)[C@@H]1CCCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 262403829 KIOFULJWWMJQJC-CYBMUJFWSA-N 352.412 0.637 0 50 FCAA O=C(O)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1I 263624770 UACRCLHNOLGZTQ-YUMQZZPRSA-N 351.096 0.036 0 50 FCAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CC(=O)N1CCNC1=O 275453615 JFSGKDHXTZTSDC-STQMWFEESA-N 369.466 0.848 0 50 FCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1nc(O)c2ccccc2n1 299794864 JWCRPWVNDYXAPT-CQSZACIVSA-N 357.414 0.551 0 50 FCAA O=C(NC1(C(=O)O)CCOCC1)N1CCN(C(=O)c2ccco2)CC1 426438543 FZDXTFJZROEQKF-UHFFFAOYSA-N 351.359 0.381 0 50 FCAA COc1ccc2nc(CNC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 670440157 HAOUJCUFGHAEJE-NSHDSACASA-N 366.443 0.307 0 50 FCAA O=C(NCc1nc(-c2cccnc2)no1)NC[C@@H]1CCS(=O)(=O)C1 828032427 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CN(C)C1=NC2(CCN(C(=O)c3cccc4[nH]c(=N)sc34)CC2)C(=O)N1 2100547669 MRPSYTDBKWYPJE-UHFFFAOYSA-N 372.454 0.731 0 50 FCAA Cc1nn(C)cc1C(=O)N1CCCO[C@H](CNC(=O)Cn2cccc2)C1 2325864964 HIMONRBDTDTJTR-OAHLLOKOSA-N 359.430 0.578 0 50 FCAA COC(=O)CCc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc1 2356145255 IHIRPCFKOVFJFL-YOEHRIQHSA-N 369.439 0.422 0 50 FCAA CC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 2352199 PUHPWNLANYGQTA-UHFFFAOYSA-N 353.382 0.946 0 50 FCAA COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 4995595 RKUUTZMRNHYPSY-UHFFFAOYSA-N 360.432 0.623 0 50 FCAA CCOCCn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C 12377660 IKPHASRESQTZAV-UHFFFAOYSA-N 356.404 0.115 0 50 FCAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 12384321 AKIVAEMHBBAVNN-ADAWSYLGSA-N 364.350 0.801 0 50 FCAA biogenic CC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)s1 71748705 JTQJEQDKOGFJPA-UHFFFAOYSA-N 372.472 0.877 0 50 FCAA O=C(NC1CC1)[C@@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)CCN1 72165107 JMHZNGCZSYMRFA-SFHVURJKSA-N 356.470 0.844 0 50 FCAA COCCNc1nc(N)nc2c1CCN(C(=O)CCn1cccc1)CC2 72428042 WZAMVUMIMQZDHT-UHFFFAOYSA-N 358.446 0.936 0 50 FCAA CC(C)[C@@H]1CN(CC(=O)NCCc2ccccc2)C[C@H]1NS(C)(=O)=O 82125977 SVUJKNSINVYCEC-DLBZAZTESA-N 367.515 0.851 0 50 FCAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(CN2CCOCC2)CC1 91644024 JGOKSHQJEDYMBV-KRWDZBQOSA-N 363.462 0.028 0 50 FCAA CCCNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)cc1 91665137 SNWMIIANXDXUIT-LBPRGKRZSA-N 351.432 0.785 0 50 FCAA O=C(NCc1cccnc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91713326 REUVESNJALIRLG-INIZCTEOSA-N 358.442 0.949 0 50 FCAA O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2=O)C1 91965656 KTQBJVSYSDJUMM-OAHLLOKOSA-N 357.332 0.996 0 50 FCAA CC(C)N1CCC(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1 95356674 YCBRVNPMFOCCFV-UHFFFAOYSA-N 361.490 0.939 0 50 FCAA CNC(=O)CCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC2)c1 95531516 MYRLRJGGALZNAJ-CYBMUJFWSA-N 369.443 0.010 0 50 FCAA CN1CCN(c2nc3c(cc2C(N)=O)CCC3)C[C@@]12CCNC(=O)CC2 107689838 QKAARIJVNKRUPN-LJQANCHMSA-N 357.458 0.460 0 50 FCAA O=C1C[C@@H]([C@@H]2CCCCN2C(=O)Cn2c(=O)cnc3ccccc32)CN1 131557987 ZPWHWEOTYGHDRQ-HIFRSBDPSA-N 354.410 0.914 0 50 FCAA NCCN1C(=O)CC[C@@H]2CN(C(=O)Cn3nc4ccccc4n3)CC[C@@H]21 215231306 VDNOORDRRZNXNM-CJNGLKHVSA-N 356.430 0.230 0 50 FCAA C[C@@H](NS(C)(=O)=O)C(=O)NCc1noc(-c2c(F)cccc2F)n1 219894517 JGOXKSJGPUMCKS-SSDOTTSWSA-N 360.342 0.569 0 50 FCAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC(n2cnnc2)CC1 221252000 HZQPUXZLXWPPER-UHFFFAOYSA-N 354.374 0.496 0 50 FCAA Cc1nnc(SCC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)s1 299787424 WWPWDNIOFPDPFC-QWRGUYRKSA-N 352.445 0.903 0 50 FCAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1nn(C)cc1Br 332712819 ZLXHVKOLVIACQG-MRVPVSSYSA-N 365.253 0.336 0 50 FCAA C[C@H](C(=O)N1CC[C@H](N2CCCC2)C1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 363173347 BZQJALGTYCLTKW-UKRFAEJPSA-N 361.442 0.234 0 50 FCAA O=C(c1cn(CCN2CCNCC2)nn1)N1CC(Oc2ccc(F)cc2)C1 426429058 XGATUUUWVZURML-UHFFFAOYSA-N 374.420 0.226 0 50 FCAA CCN(Cc1nc(COC)no1)C(=O)Cn1nccc1[C@H]1CCCNC1 426471018 YTOVXQZQTVLCRQ-ZDUSSCGKSA-N 362.434 0.928 0 50 FCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1ccc(S(N)(=O)=O)cc1)C2 426690748 URTUUGHTPNDTGV-NHAGDIPZSA-N 353.444 0.900 0 50 FCAA CCCS(=O)(=O)N1CCOC2(CCN(Cc3ncnn3CC)CC2)C1 822992426 LNWNLNXZBRBACX-UHFFFAOYSA-N 371.507 0.705 0 50 FCAA O=C(NCCc1nc(-c2ccccn2)no1)NC[C@H]1CCS(=O)(=O)C1 828023205 NHSGXJUBOOCKTL-LLVKDONJSA-N 365.415 0.408 0 50 FCAA CC1(C)[C@H](CN2CCOCC2)C(=O)[C@H](CN2CCOCC2)C(C)(C)N1[O] 952853101 SOLRXSLYBCWKAO-IYBDPMFKSA-N 368.498 0.671 0 50 FCAA Cc1cnc(C(=O)N2CCCN(C(=O)Cn3nc(C)cc3N)CC2)cn1 1529172392 GSRKNOXKOAMLFX-UHFFFAOYSA-N 357.418 0.247 0 50 FCAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1ccn2nnnc2c1 1565515417 VMGFJPBLICTJLE-GJZGRUSLSA-N 354.370 0.623 0 50 FCAA Cc1ccccc1[C@H]1CN(C(=O)CCn2ccc(O)nc2=O)C[C@@H]1C(=O)O 1565531364 XYGFLIIJSIDELI-CABCVRRESA-N 371.393 0.974 0 50 FCAA Cc1cc(N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)nc(N2CCCC2)n1 1704306643 XDLTUKFUGPZREJ-CABCVRRESA-N 361.446 0.607 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccccc1Cl 1704337110 VPCBCPYSYXFYBV-GXTWGEPZSA-N 360.863 0.905 0 50 FCAA Cc1nc2sccn2c1C(=O)N1CCCN(C(=O)Cn2cnnn2)CC1 1772808461 REHUPNIKROZTLX-UHFFFAOYSA-N 374.430 0.065 0 50 FCAA Cn1nc(C(=O)N2CCC3(CCN(c4cnc(F)cn4)CC3)C2)ccc1=O 1857527909 DQDLATFLZSJGEW-UHFFFAOYSA-N 372.404 0.842 0 50 FCAA CN(C)C(=O)Cc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc32)s1 1875246159 JFOBOMWDPFSXSH-LLVKDONJSA-N 359.411 0.982 0 50 FCAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cn2c(n1)CCNCC2 1875246865 CUWFJAGQFOASOB-AWEZNQCLSA-N 359.474 0.892 0 50 FCAA CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)NCc2cccnn2)C1 1875265466 CTUTXBKNDVGNND-AWEZNQCLSA-N 359.390 0.501 0 50 FCAA CO[C@@H]1CN(c2ccnc(N3CCc4ncnc(O)c4C3)n2)C[C@@H]1N(C)C 1875398142 DAXVZWUBCHVYBR-LSDHHAIUSA-N 371.445 0.300 0 50 FCAA Cc1cc(CC(=O)NC[C@H]2CN(c3ncnc(=N)[nH]3)CCC2(C)C)n[nH]1 1875406059 VYTQJCAISOQHPD-LBPRGKRZSA-N 358.450 0.527 0 50 FCAA C[C@H]1C[C@@H]1c1ccc(C(=O)N2CC(C)(NC(=O)c3cn(CCO)nn3)C2)o1 2325830069 ZQJYAADXLRLPOS-RYUDHWBXSA-N 373.413 0.631 0 50 FCAA N=c1[nH]c2cccc(C(=O)NC[C@@H]3C[C@@H]3NC(=O)Cc3cc[nH]n3)c2o1 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371.397 0.529 0 50 FCAA Cc1c(C(=O)NCCN2CCOCC2)cccc1N(C)S(C)(=O)=O 65362406 IJDXWWPUMDVYJT-UHFFFAOYSA-N 355.460 0.453 0 50 FCAA CNC(=O)CN1C(=O)N[C@@](Cc2ccccc2C)(C2CCNCC2)C1=O 67723583 FJXMDILUBUULPN-IBGZPJMESA-N 358.442 0.574 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)Nc3ccccc3)nn2)CN1 67948040 WHHKDMXZBQTSCP-KGLIPLIRSA-N 371.445 0.984 0 50 FCAA O=C(O)[C@H]1C[C@@H](C(=O)NC2CC2)CN(C(=O)c2cnn3c2CCCC3)C1 72169561 IHASCVCIPDZUFU-NEPJUHHUSA-N 360.414 0.661 0 50 FCAA COc1cc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)ccc1OCC(N)=O 72407098 XULPAFYIYQYOBD-GOSISDBHSA-N 363.414 0.976 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(c2cnccn2)C1 72428498 BAWZOBIJICTGTK-AWEZNQCLSA-N 357.462 0.946 0 50 FCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72477178 ZLGAYANWCXHEMQ-UHFFFAOYSA-N 359.338 0.202 0 50 FCAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)c1 77471132 IIZQVLCGBJSGIP-ZDUSSCGKSA-N 373.409 0.960 0 50 FCAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CCn3cnnn3)CC2)n1 82109324 JUIQQBDSAGRQHJ-UHFFFAOYSA-N 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CC(=O)N(C)CC(=O)NC1(C)CN(C(=O)c2ccc3c(C)[nH]nc3c2)C1 2325880052 SEEQIKVUZVBCOT-UHFFFAOYSA-N 357.414 0.680 0 50 FCAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@H](O)C4)ccc3C2=O)C(=O)N1 2325887173 XDRIQCTVRPYNAA-UKRRQHHQSA-N 371.393 0.045 0 50 FCAA CCOc1ccc(N2C[C@@H](O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 629482 NEMCBMHHVIOCHK-GFCCVEGCSA-N 371.397 0.345 0 50 FCAA O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 5515633 JUOZATTYTMUMBM-UHFFFAOYSA-N 354.413 0.811 0 50 FCAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 6741248 WUJYPQLQKVAZIZ-HNNXBMFYSA-N 354.428 0.707 0 50 FCAA Cc1cccc(Cn2c(N3CCNCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 8701219 HHNFYKXUTXKWKV-UHFFFAOYSA-N 368.441 0.200 0 50 FCAA CCOC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)o1 55107565 QYXWLJVEIDPASU-AWEZNQCLSA-N 351.403 0.300 0 50 FCAA CCC(=O)Nc1ccccc1C(=O)C(=O)N1CCN2CCN(C)C(=O)[C@H]2C1 65383934 YEKBACKQTLQOIM-OAHLLOKOSA-N 372.425 0.203 0 50 FCAA CNC(=O)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 67919565 QRLBHFDXDRCKAN-UHFFFAOYSA-N 369.429 0.382 0 50 FCAA 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353.404 0.223 0 50 FCAA Cc1cc(C)n(CCNC(=O)Cc2ccc(-n3nnnc3C)cc2)c(=O)n1 827848424 KTPXRGKYUIWWED-UHFFFAOYSA-N 367.413 0.503 0 50 FCAA Cc1cc(=O)n(CCN2CCC[C@@H](CNC(=O)c3cncn3C)C2)c(O)n1 952980978 SHDGTKWRSSKWRF-AWEZNQCLSA-N 374.445 0.133 0 50 FCAA Cc1cc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc(N2CCCC2)n1 1529191737 DWIHBJDLVNXMJU-UONOGXRCSA-N 369.491 0.074 0 50 FCAA Cc1cc(=O)n(CC(=O)N[C@H]2CCOC[C@@H]2OCCO)c2ccccc12 1565515751 IOKKUUGLYUNQCZ-RDJZCZTQSA-N 360.410 0.593 0 50 FCAA NC(=O)c1cnc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)cn1 1772700445 AXLDRCSPJGYQGI-MRXNPFEDSA-N 354.414 0.928 0 50 FCAA Cc1ccc2nc(COCC(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)[nH]c2c1 1857717403 OCCTXQROBZYNPG-BEFAXECRSA-N 370.409 0.948 0 50 FCAA CNC(=O)NC[C@@H]1COCCN1C[C@@H](O)COc1cccc(Cl)c1 1875270023 KYDBCWAQCUHDBU-ZIAGYGMSSA-N 357.838 0.710 0 50 FCAA O=C(c1cnc2n1CCC2)N1CC[C@H](C2CC2)[C@@H]1CNC(=O)C1(O)CC1 1875408167 PUGMBLMCYJUSMK-KGLIPLIRSA-N 358.442 0.711 0 50 FCAA CCc1nc(-c2nc[nH]n2)sc1C(=O)NCCN1CCCS1(=O)=O 2325820448 WVDUGDFGVUGAJB-UHFFFAOYSA-N 370.460 0.256 0 50 FCAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cccc3c1oc(=O)n3C)C2 2325849376 NKOIMCIFLCSVEG-KPZWWZAWSA-N 359.382 0.499 0 50 FCAA O=C1CC[C@H](N2C(=O)C=C(NC3(c4cccc(F)c4)CC3)C2=O)C(=O)N1 2325854195 RRPKBMIDRVDMDR-ZDUSSCGKSA-N 357.341 0.462 0 50 FCAA OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 1318428 MRPKNNSABYPGBF-LSCFUAHRSA-N 357.370 0.050 0 50 FCAA biogenic CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 1868320 AOXWFNZULWDFNK-AWEZNQCLSA-N 368.271 0.372 0 50 FCAA COc1cccc(CN2CCC[C@](O)(CN3CCOCC3)C2=O)c1OC 67654231 MLJJYUOKTSBQQP-IBGZPJMESA-N 364.442 0.890 0 50 FCAA COc1ccc(S(=O)(=O)N2CC[C@H](CO)[C@H](O)C2)c2c1CCCC2 72150323 KDQDNIFLWLHTMG-IUODEOHRSA-N 355.456 0.938 0 50 FCAA Cc1cc(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 72429398 JXTCCVLLDDUJKN-KGLIPLIRSA-N 368.459 0.214 0 50 FCAA CN(C)C1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCOCC1 73130934 GMWWNSZLKUVDQS-OAHLLOKOSA-N 360.458 0.657 0 50 FCAA CN1C[C@@H](CC(=O)NCC(N)=O)Oc2ccc(C(=O)N3CCCC3)cc21 77355236 WHVOLWVECFGFED-CYBMUJFWSA-N 360.414 0.111 0 50 FCAA C[C@@H](O)[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91321889 QJKHPTKNIPZPEM-PBHICJAKSA-N 360.458 0.521 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CN1CCc1ccccc1 91433750 CTEUNPVWOKZPJA-SJORKVTESA-N 359.470 0.961 0 50 FCAA Cc1n[nH]c(SCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)n1 91575355 VDTSCIWOEYJMIX-NWDGAFQWSA-N 352.464 0.810 0 50 FCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccccc1OCCO)CC2 95374171 PATYLVCDVTYDMO-OAHLLOKOSA-N 362.426 0.955 0 50 FCAA Cc1cccc(N2CCN(CCC(=O)N3CC[C@](C)(O)[C@@H](O)C3)CC2)c1 96180342 TXHYGFASHCWZPS-ICSRJNTNSA-N 361.486 0.851 0 50 FCAA Cc1ccsc1CN1CCN2C(=O)[C@@H](Cc3cnc[nH]3)NC(=O)[C@@H]2C1 215781884 NLVMNWCWQBBFKI-KGLIPLIRSA-N 359.455 0.534 0 50 FCAA Cn1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c(=O)[nH]c1=O 222774564 HCZQDSNSPWRMEX-LLVKDONJSA-N 354.370 0.136 0 50 FCAA CSc1ncc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1 223253243 YPHTWQQFWXQLRO-UHFFFAOYSA-N 358.427 0.655 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 262482508 URTCWCIHVRSAMA-ZDUSSCGKSA-N 354.428 0.851 0 50 FCAA CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)c3cccnc3O)C2)n1 276623156 WRJSUMHJXDUHID-ZDUSSCGKSA-N 372.429 0.695 0 50 FCAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(Cc2cccc(O)c2)CC1 299787600 PLXUUSOULZLWIG-UHFFFAOYSA-N 360.414 0.367 0 50 FCAA CCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3nnc(C)o3)C2)cn1 328612550 PCDGLMJHJWGRAG-GFCCVEGCSA-N 354.388 0.934 0 50 FCAA Cn1nnnc1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O 332153689 SWQWBCKSTNAEOP-ZDUSSCGKSA-N 365.191 0.940 0 50 FCAA CCN1C(=O)[C@H]2CN(C(=O)c3cccnc3N3CCCC3)CCN2C1=O 360912217 JAVUHMVAGZTMKU-CQSZACIVSA-N 357.414 0.790 0 50 FCAA COc1cccc(C(=O)NCC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 363708379 DJJRJXWGSHDIMC-KRWDZBQOSA-N 374.485 0.663 0 50 FCAA C[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCN1S(C)(=O)=O 408120135 SVNOUDASFIAHQU-ZDUSSCGKSA-N 365.455 0.919 0 50 FCAA COc1cc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)nc(N)n1 426544899 CWQHOBRDQILWSH-CYBMUJFWSA-N 355.398 1.072 0 50 FCAA Nc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)[C@H]2CCCO2)CCO3)cn1 827969386 FJYCQAHCJJVZGL-OAHLLOKOSA-N 374.441 0.676 0 50 FCAA Cc1ccccc1CNC(=O)CN1CCC[C@](O)(Cc2nncn2C)C1 888076767 AZTLDAZIBMBEIQ-IBGZPJMESA-N 357.458 0.809 0 50 FCAA Cc1ccc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1073298708 UYAWLHJJMKQGDM-CVEARBPZSA-N 351.472 0.960 0 50 FCAA CCc1cc(N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)nc(N(C)C)n1 1565513897 KPNHQWHVKOHCBN-KBPBESRZSA-N 350.467 0.040 0 50 FCAA CC(C)[C@H]1CN(Cc2cnc(N(C)C)nc2)C[C@@H]1NS(=O)(=O)N(C)C 1565530274 PQTCDLAQKFUAGL-CABCVRRESA-N 370.523 0.395 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C[C@H]2O)n[nH]1 1704352064 WQYRMVROENLJTA-CXAGYDPISA-N 367.409 0.641 0 50 FCAA O=C(O)c1cc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(CO)C2)ccc1O 1772706024 GIKRMBYCRBMLRH-MEBBXXQBSA-N 357.384 0.110 0 50 FCAA O=C1CO[C@@]2(CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C2)CN1 1772818292 CFRLZBCPBQCVPA-INIZCTEOSA-N 368.411 0.128 0 50 FCAA Cn1ccnc1CN1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)C1 1857672503 FNMDLAXGWLVBHS-FOLVSLTJSA-N 354.476 0.578 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccc3-n3cncn3)C[C@H]2O)n[nH]1 1857716814 FREYLIGRROGPDR-CXAGYDPISA-N 352.398 0.974 0 50 FCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C1Cc3ccccc3C1)C2 1875395882 OOHOUBFRPOQPTM-OAHLLOKOSA-N 362.451 0.163 0 50 FCAA CNC(=O)C[C@@H]1CN(c2cc(OC)nc(C3CCOCC3)n2)C[C@H]1O 1875398421 PJVZDSCKDPEZKS-CHWSQXEVSA-N 350.419 0.312 0 50 FCAA O=C1N[C@H](CN2CCc3ccccc32)C(=O)N2C[C@H](OC(F)F)C[C@@H]12 2325809012 RMCAMMRKXAOAIP-BZPMIXESSA-N 351.353 0.756 0 50 FCAA CCn1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@](C)(COC)OC)C2)c1C 2325830086 ZZBBSKUBQKOHGH-DYVFJYSZSA-N 352.435 0.594 0 50 FCAA CNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]23CCCN(C)C3=O)c1 2356164065 CSWNARDWBOUECW-QGZVFWFLSA-N 365.455 0.822 0 50 FCAA CCCCn1c(C)cn2c3c(=O)n(CCC(=O)OC)c(=O)n(C)c3nc12 5076487 RDRUGABLASGVTG-UHFFFAOYSA-N 361.402 0.821 0 50 FCAA Cn1c(=O)c2c(nc(N3CCCc4ccccc43)n2CC(=O)O)n(C)c1=O 11693974 BVNKOEUBDAPDFT-UHFFFAOYSA-N 369.381 0.603 0 50 FCAA CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)c(F)cc3F)CN2C1=O 14540775 WNRQLMVWRNKKJZ-ULCPSODYSA-N 369.343 0.958 0 50 FCAA CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 47828915 UWKIKGAXVOWHBX-MRXNPFEDSA-N 359.474 0.578 0 50 FCAA CCn1c(CC2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)n[nH]c1=O 65507677 GWIGTUNUBMRWPK-UHFFFAOYSA-N 368.463 0.277 0 50 FCAA CC1(C)S[C@H]([C@H](NC(=O)COc2ccccc2)C(=O)O)N[C@@H]1C(=O)O 65748380 FJTUHYOOCYRLJI-YNEHKIRRSA-N 368.411 0.529 0 50 FCAA biogenic,in-vitro CC(=O)NCCNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67491026 BBCOLEKCOPCFKM-KRWDZBQOSA-N 355.385 0.544 0 50 FCAA O=C1NC(=O)[C@@H](CC(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)N1 71763683 OMZSFLNFLAJBFC-GFCCVEGCSA-N 358.329 0.964 0 50 FCAA CN1C[C@@]2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)OC1=O 72158459 XOOFSGMMOGGCFC-GOSISDBHSA-N 356.382 0.840 0 50 FCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)CC2)[C@@H]3C1=O 77457173 KRPFRHAPADKPOB-FIIQBIKZSA-N 361.442 0.163 0 50 FCAA CC(C)n1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)cn1 95377328 HCCOOIWIQWNALV-DZGCQCFKSA-N 369.491 0.807 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1nccn1C)CC2 95504901 VOKCEICMDDHWOE-UHFFFAOYSA-N 372.429 0.306 0 50 FCAA Cc1cccc(N2CCN(C(=O)CN3CC4(CCNCC4)OC3=O)CC2)n1 95509080 QCBPKTISEBCMCM-UHFFFAOYSA-N 373.457 0.613 0 50 FCAA Cn1c(CN2CCOCC2)nnc1C1CCN(c2ncc(F)cn2)CC1 96165963 BBCNNLDTDWNGSQ-UHFFFAOYSA-N 361.425 0.960 0 50 FCAA Cc1cc(C(=O)NCC2=CSC3=NCCN23)cc(S(N)(=O)=O)c1C 102484050 QBEAXKDPNSRIDH-UHFFFAOYSA-N 366.468 0.940 0 50 FCAA NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cnn(CC(F)F)c1 186268597 SQLWDFALZCMFGJ-ZDUSSCGKSA-N 370.381 0.749 0 50 FCAA CCCc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)n2ncnc2n1 194261806 IUIFMAQRHRRIJF-UHFFFAOYSA-N 373.461 0.058 0 50 FCAA COc1cccc(CN2CCN(C(=O)[C@@H]3[C@H](C(=O)O)[C@H]4C=C[C@H]3O4)CC2)c1 239275179 BGWXNYCWNDJRBT-ZJPYXAASSA-N 372.421 0.994 0 50 FCAA C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@@H](O)Cn3cccn3)CC2)C1 249722443 NPFJKWQWWVMBEJ-FGTMMUONSA-N 363.506 0.366 0 50 FCAA O=C(c1cc2c(nc1O)CCCC2)N1CCCN([C@H]2COC[C@@H]2O)CC1 253537327 NUXZLIDNGCANEY-IRXDYDNUSA-N 361.442 0.574 0 50 FCAA CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)C1 299742471 JLLQSKBAJZYEFF-UONOGXRCSA-N 354.428 0.470 0 50 FCAA COC(=O)CC(C)(C)CC(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 328628275 HCTYDTTXKQTLMX-ZDUSSCGKSA-N 363.462 1.071 0 50 FCAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Cn2nc(C)cc2C)cn1 328635788 VCZIJJSPHZMJGH-OAHLLOKOSA-N 365.459 0.715 0 50 FCAA COc1ccc(C)cc1CC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 330680593 YSEXIVBHQNLQPJ-ZDUSSCGKSA-N 368.455 0.308 0 50 FCAA CN(CC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)c1ncnc2[nH]cnc12 363113847 KLRDGFPXOUHCJH-LBPRGKRZSA-N 354.418 0.614 0 50 FCAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2ccc(C(F)(F)F)n2)cn1 862926506 NEIDFNJYXLSJII-WDEREUQCSA-N 359.308 0.598 0 50 FCAA CN(C(=O)c1nnc2ccccc2n1)[C@H]1COC[C@H]1Oc1cnn(C)c1 888078473 UYYNFIRSUROJQX-LSDHHAIUSA-N 354.370 0.677 0 50 FCAA CC1(C)CN(C(=O)c2ccc[n+]([O-])c2)CC2(CN(Cc3ccon3)C2)O1 952892963 DQEBNVXZFZCVGM-UHFFFAOYSA-N 358.398 0.814 0 50 FCAA O=C(CCn1cnnc1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952970533 LCMITWASCQOJML-UHFFFAOYSA-N 359.386 0.545 0 50 FCAA Nc1nc2c(c(C(=O)NCc3cccnc3-n3cncn3)n1)CCCC2 1506406806 OXRRBMCAHAFZSN-UHFFFAOYSA-N 350.386 0.843 0 50 FCAA O=C(c1cnc(O)c(Cl)c1)N1CCC(N2CCN(CCO)CC2)CC1 1506417292 ICJQRQCPGQAXMU-UHFFFAOYSA-N 368.865 0.655 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@H]1O 1529112608 PEXUCNKCFGMBAC-DZGCQCFKSA-N 356.444 0.036 0 50 FCAA CC1(C)NC(=O)N(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)C1=O 1529173610 NISDWTVNXPDOSM-UKRRQHHQSA-N 361.398 0.278 0 50 FCAA O=C1CCC(CCC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)=NN1 1565515756 BSHFFBZVUYTNSO-HOTGVXAUSA-N 360.414 0.918 0 50 FCAA Cc1nc(C)c(CC(=O)N2CCC[C@@]3(C(N)=O)CCN(C)C[C@H]23)c(O)n1 1857702822 DMJMTZDVWGZCBO-KBXCAEBGSA-N 361.446 0.140 0 50 FCAA O=C(Nc1nccn1CC(F)(F)F)C(=O)N1CCc2cncnc2CC1 2325790346 GTVUYKYELFWRCE-UHFFFAOYSA-N 368.319 0.801 0 50 FCAA CO[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@H]1NC(=O)c1[nH]nnc1C 2356140199 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CCn1c(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)nn(C)c1=O 71315646 VVAQWYBDKHGLNC-UHFFFAOYSA-N 371.441 0.738 0 50 FCAA O=C(O)CCc1cc2n(n1)CCN(C(=O)COC[C@H]1CCCCO1)C2 72418621 JTZKPUQRYVBOAE-OAHLLOKOSA-N 351.403 0.828 0 50 FCAA CS(=O)(=O)Nc1cccc(NC(=O)CCc2cc3n(n2)CCNC3)c1 72473488 IOTJDUVGLAGJNR-UHFFFAOYSA-N 363.443 0.929 0 50 FCAA Nc1nnc(SCC(=O)NCCc2cc(N3CCCC3)ncn2)s1 72481114 VWVIMVHTARKAEF-UHFFFAOYSA-N 365.488 0.962 0 50 FCAA CN1CC[C@H]2CN(C(=O)COCC(F)(F)C(F)F)C[C@@]2(C(=O)O)C1 91725970 SUXAMUCYEPQUQK-ZANVPECISA-N 356.316 0.768 0 50 FCAA Cc1nc(CC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cs1 92097389 XYQVAIJDHVMUAU-GFCCVEGCSA-N 351.428 0.918 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1CN1CCc2ccccc21 140430386 GTDWTHNGLDOEPV-OAHLLOKOSA-N 354.410 0.590 0 50 FCAA CCCN1C(=O)N[C@@H](CC(=O)NCc2cn3nc(C)sc3n2)C1=O 215553843 KOLLWHBSBKUMMP-JTQLQIEISA-N 350.404 0.436 0 50 FCAA Cc1nn(C)c(C)c1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 219342015 OILUXOQPZIDXRH-UHFFFAOYSA-N 369.491 0.525 0 50 FCAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCN([C@H]2COC[C@@H]2O)CC1 240936843 SESGWKRUNMZFLH-GJZGRUSLSA-N 365.474 0.943 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@@H](CC(=O)O)C2)cc1 262879295 YROHRZMVDVCQNI-ZDUSSCGKSA-N 370.427 0.229 0 50 FCAA CNS(=O)(=O)CC(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275511356 BPWNLFJJWKARHL-ZDUSSCGKSA-N 357.501 0.768 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N(C)C[C@H](O)Cc2ccccc2)cn1C 293088391 VLZXVJZBYXAKNR-CQSZACIVSA-N 365.455 0.609 0 50 FCAA C[C@H]1CCCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)[C@H]1CN 299739487 OYMZGNVXXLDXFP-ZANVPECISA-N 352.416 0.789 0 50 FCAA O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1c[nH]nc1-n1cnnn1 299755721 CDCVYBDFAXVVOH-CYBMUJFWSA-N 368.401 0.485 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nc(C(C)(C)C)no1 299772293 XPMPKEGAUFZBEX-UHFFFAOYSA-N 368.415 0.953 0 50 FCAA CNC(=O)c1ccc([C@@H]2CCCCN2C[C@H](O)CN2CCOCC2)n1C 328629083 HXKLCOKHUPQUOE-WBVHZDCISA-N 364.490 0.605 0 50 FCAA O=C1N(CCN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)C(O)=NC12CCCC2 328643745 AKAHAIFHGBBHPA-KFWWJZLASA-N 351.447 0.917 0 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370.461 0.456 0 50 FCAA O=C(NC[C@@H]1CCCCN1C(=O)c1cncc(O)c1)c1ccc(O)nn1 1875331706 VEUYKMDURJXCPI-LBPRGKRZSA-N 357.370 0.708 0 50 FCAA CNC(=O)C[C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2Cl)C[C@H]1O 1875404165 XMBULQDLZDGSTD-BXKDBHETSA-N 356.806 0.926 0 50 FCAA Cn1ccc(C(=O)NC2([C@@H]3CCCN3C(=O)C[C@H]3CCC(=O)N3)CC2)n1 1875406401 CSKDLJLGXLDAMV-OCCSQVGLSA-N 359.430 0.342 0 50 FCAA O=C(N[C@@H]1CNCC12CCOCC2)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 2325766235 FYHISPNGJPUWDB-GHMZBOCLSA-N 364.368 0.217 0 50 FCAA Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](N(C)C)C3)cnn1CCc1nn[nH]n1 2325809148 KCYYFZAUUNMPHS-BTTYYORXSA-N 358.450 0.645 0 50 FCAA COCCCn1c(C)c(C)n2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 4314330 AYJLJGHHNDBXHA-UHFFFAOYSA-N 363.418 0.449 0 50 FCAA COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 11948762 ICOPMHJXQXEHJA-INIZCTEOSA-N 367.421 0.678 0 50 FCAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCC2CC2)cc(OC)c1 12594105 CCRBQCONMVSVIA-QGZVFWFLSA-N 361.442 0.921 0 50 FCAA CCOC(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1 65383558 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369.433 0.691 0 50 FCAA COc1cccc([C@@H]2CN(C(=O)Cc3cnc(C)[nH]c3=O)C[C@H]2C(=O)O)c1 92107802 HEGCJFVACGBSGH-JKSUJKDBSA-N 371.393 0.956 0 50 FCAA CC(C)N(C)Cc1nnnn1CC(=O)NCc1cccc(-c2nnn[nH]2)c1 95509929 DWOVMDNTEUNWIA-UHFFFAOYSA-N 370.421 0.010 0 50 FCAA O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1c[nH]c2ncnn2c1=O 105529539 KQIBVJHMDUIDLT-LLVKDONJSA-N 358.402 0.471 0 50 FCAA COCCN(C)c1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)cn1 191114864 PZCRYOXBWSPCLK-INIZCTEOSA-N 358.446 0.793 0 50 FCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 215964263 JBORVKJBTNPHRJ-OAHLLOKOSA-N 359.430 0.834 0 50 FCAA COc1ccc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)cc1OC 219861847 OUVJIRLBNNUHOL-UHFFFAOYSA-N 367.427 0.987 0 50 FCAA CC(=O)c1c(C)nn(CC(=O)N2CCN(CCn3cncn3)CC2)c1C 222752654 QSSFOGGTLMDKTP-UHFFFAOYSA-N 359.434 0.138 0 50 FCAA CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H](O)CN1 237238586 OTVBHUYONGOYDD-NTZNESFSSA-N 362.348 0.626 0 50 FCAA C[C@@H]1OCC[C@]1(O)CNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 279648472 ZRDRHVJWTIQMMP-CHEFSKHESA-N 369.439 0.612 0 50 FCAA NC1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 325468905 VBDFFGNNVVSCIG-CYBMUJFWSA-N 354.432 0.781 0 50 FCAA Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)s1 333885183 FOHTTZKPRWDEGM-RYUDHWBXSA-N 365.498 0.942 0 50 FCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cc(Br)n(C)n2)C1 818485855 FNIVXAXDIWVFIZ-CYBMUJFWSA-N 359.224 0.286 0 50 FCAA Cc1c(Cl)c(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)nn1C 886078327 VZRRTDVARGXFPU-OAHLLOKOSA-N 356.810 0.383 0 50 FCAA Cc1ccc(S(=O)(=O)N2C[C@H](n3ccnn3)[C@H](N(C)C)C2)c(F)c1 888076230 KIBTYVVCELJKRV-KGLIPLIRSA-N 353.423 0.901 0 50 FCAA CCN1CCO[C@H](CN2CCN(C(=O)[C@H](C(=O)O)C(C)(C)C)CC2)C1 952887927 FRVRIMDEDXVXDE-LSDHHAIUSA-N 355.479 0.598 0 50 FCAA CCOCCOc1ccccc1NC(=O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O 1565514161 LEEKYRNXDDOKQE-KBPBESRZSA-N 372.443 0.724 0 50 FCAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1)c1cc(O)nc(O)n1 1565530398 MBBPXLBQLVHPLL-JSGCOSHPSA-N 361.354 0.346 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COc1cccc(F)c1 1704297178 JNBUYJFGHRQROG-SMDDNHRTSA-N 360.407 0.227 0 50 FCAA COc1cccnc1CN1C[C@H]2CN(Cc3cnc(N)nc3)C[C@@]2(CO)C1 1772805889 VGTHZPOFDKMFNW-BEFAXECRSA-N 370.457 0.389 0 50 FCAA COc1ccc(-c2cc(CNC(=O)c3cc(-n4cnnn4)n[nH]3)no2)cc1 1857678067 AVNRIDIEFZLTGJ-UHFFFAOYSA-N 366.341 0.979 0 50 FCAA COc1cccnc1CN1CCCN(S(=O)(=O)N2CCOCC2)CC1 1857690498 LAQWWGUJWIZSQD-UHFFFAOYSA-N 370.475 0.175 0 50 FCAA COc1ccnc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1 1857732101 BUZKFDJVGCHSKF-IPYPFGDCSA-N 362.430 0.140 0 50 FCAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1875370195 FOQWNNHCLRYSSZ-LBPRGKRZSA-N 355.435 0.507 0 50 FCAA CN1CCc2[nH]nc(C(=O)N3CC(n4cnc5ccccc5c4=O)C3)c2C1 2325811242 HVLUKXUGJLYQBS-UHFFFAOYSA-N 364.409 0.805 0 50 FCAA Cc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1 858957 IFTYVPQMKBXUDF-UHFFFAOYSA-N 351.409 0.927 0 50 FCAA CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)Nc2cccc(Cl)c2)NC1=O 887833 QMEHIOSUGCXUGN-UHFFFAOYSA-N 368.802 0.529 0 50 FCAA COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc(C(=O)OC)c1 2190835 ULHNBJPNJZRSBH-SNVBAGLBSA-N 365.367 0.545 0 50 FCAA COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015748 NUQWMEQLEXJWCB-UHFFFAOYSA-N 369.381 0.530 0 50 FCAA CC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12001902 LZQXVSGCZLNODV-UHFFFAOYSA-N 351.428 0.666 0 50 FCAA CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3ccco3)C2)CC1 55100084 PKJZIVBSNKLYDI-HNNXBMFYSA-N 369.487 0.986 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2nc3ccccc3s2)C1 67787138 LQNIVIRYQRECIP-SNVBAGLBSA-N 355.441 0.687 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc2nc(C)sc2c1 67896139 XEZGLQDRAGBUNP-SKDRFNHKSA-N 354.457 0.441 0 50 FCAA COc1nc2c(cc1CNC(=O)CCC(N)=O)C(=O)N(C1CCCC1)C2 71774523 XLOITJLFHPMDNX-UHFFFAOYSA-N 360.414 0.870 0 50 FCAA Cc1nc(C2CCN(CCOCCO)CC2)cc(N2CCOCC2)n1 72470116 BOBVZYVLRJSIJU-UHFFFAOYSA-N 350.463 0.810 0 50 FCAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cnn2cc(CCO)cnc12 77356448 NZLBMMQCVUYNBV-AWEZNQCLSA-N 360.414 0.722 0 50 FCAA CN(C)C(=O)CN1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82092555 NFGKZNXHDUZDLB-MRXNPFEDSA-N 366.506 0.110 0 50 FCAA COc1ccc2c(c1)[C@@H](C(=O)NCCc1cc(=O)[nH]c(C)n1)CC(=O)N2 91320977 ZQEKNRONVHCIKE-AWEZNQCLSA-N 356.382 0.872 0 50 FCAA COc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CC(N)=O)C2)CC1 91626129 ALONYJZXOWOUDR-UHFFFAOYSA-N 373.453 0.954 0 50 FCAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2 91664252 BYRDYOWJJAUNBQ-DZGCQCFKSA-N 355.402 0.221 0 50 FCAA CN(CCO)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)C[C@@H]1CO 91746590 XZJATCSZRAMBDZ-QZTJIDSGSA-N 361.486 0.891 0 50 FCAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 91893195 NYKGNFCRMGEQSH-UHFFFAOYSA-N 369.443 0.457 0 50 FCAA N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91907400 QBAMMQSHNWUPPL-ZDUSSCGKSA-N 354.414 0.705 0 50 FCAA O=C1NC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C[C@H]1c1ccccc1 95363217 ZGQZWHLBSJGCSD-AWEZNQCLSA-N 370.409 0.203 0 50 FCAA Cc1cc(C)n(CCNC(=O)c2coc(CN3CCOCC3)c2)c(=O)n1 95389087 DFNMFLNXBRDMBR-UHFFFAOYSA-N 360.414 0.715 0 50 FCAA Cc1ccc2nc(COCC(=O)N3CCN(S(C)(=O)=O)CC3)[nH]c2c1 97696120 YJPGGRLTMVOCPW-UHFFFAOYSA-N 366.443 0.492 0 50 FCAA COc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1 225387369 IXWKRIPUPQLGLB-CABCVRRESA-N 359.426 0.846 0 50 FCAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 265354385 UPNWLCUHNAAMKR-WCQYABFASA-N 373.500 0.653 0 50 FCAA COCCN1C(=O)N[C@@H]2CN(c3nnnn3-c3ccc(C)cc3)CC[C@@H]21 299742493 JPXLIFKRAFSMRT-CABCVRRESA-N 357.418 0.590 0 50 FCAA CCc1oc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1CN(CC)CC 299802368 YXHRMEZYHPOKFD-CHWSQXEVSA-N 358.460 0.572 0 50 FCAA COc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)c(CC(=O)O)c1 326438195 YMSBUVQDWIFBRE-UHFFFAOYSA-N 370.427 0.565 0 50 FCAA C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C 328700613 IVCZVFSYXVZONO-AAEUAGOBSA-N 357.480 0.821 0 50 FCAA C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 363234944 UYRHLELHHLIXAD-DOMZBBRYSA-N 370.413 0.852 0 50 FCAA Cc1[nH]nc2ncc(C(=O)N3CCn4c(nn(CC(F)F)c4=O)C3)cc12 364179002 HJRBUPFUYSEDBP-UHFFFAOYSA-N 363.328 0.546 0 50 FCAA O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1ccc2nn[nH]c2n1 416241806 MGLYCDAIRKXCKZ-ZBFHGGJFSA-N 363.381 0.982 0 50 FCAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCN2CCOC[C@@H]2C1 754460122 MINBRZCSTZGBGH-ZDUSSCGKSA-N 365.817 0.608 0 50 FCAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cnnn1C 798844971 FZNLCERPRLONSC-UHFFFAOYSA-N 374.806 0.612 0 50 FCAA CCS(=O)(=O)N1CCOC2(CCN(C(=O)Cn3ccnc3C)CC2)C1 823413096 ZGOAVJHAEYNRLI-UHFFFAOYSA-N 370.475 0.235 0 50 FCAA CN(Cc1cnn2c1CNCC2)C(=O)[C@@]1(C)Oc2ccccc2NC1=O 952890394 SBOCDPXKABJPRL-SFHVURJKSA-N 355.398 0.735 0 50 FCAA CCNc1nc(C)c(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)s1 1506410011 CGVHEKSLBBDJLB-JTQLQIEISA-N 362.477 0.274 0 50 FCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCn2cccn2)cc1OC 1529155364 RMFFZJQPIUELLB-SJORKVTESA-N 374.397 0.273 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3ccc(N(C)C)nc3)C[C@H]2C1 1565516230 BPHXSGUDTXAKJM-LPHOPBHVSA-N 362.474 0.579 0 50 FCAA Cn1cccc1-c1cc(C(=O)N[C@H]2CCN(c3cnccn3)C[C@@H]2O)n[nH]1 1565525733 BTOQVASRONNAPN-LRDDRELGSA-N 367.413 0.575 0 50 FCAA CC(C)c1csc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)n1 1616085594 YTRTZQWOIDTYOH-PWSUYJOCSA-N 361.489 0.591 0 50 FCAA CN(C(=O)c1ccc(S(N)(=O)=O)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704298059 CYBZIIGUPMGXDJ-FRRDWIJNSA-N 351.428 0.321 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1cc(Cl)no1 1704298659 KODIGQCTBYCVKU-GXSJLCMTSA-N 365.839 0.283 0 50 FCAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCO[C@@]2(CCNC2)C1 1857718683 OCIUFOFSWJUBRH-MRXNPFEDSA-N 352.460 0.493 0 50 FCAA Cc1cc(C)n2nc(C)c(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)c2n1 1875250127 ZYRYMMYVIFXCGY-KGLIPLIRSA-N 357.414 0.584 0 50 FCAA Cc1ocnc1C(=O)N1CC2(CN(C(=O)c3ccn(C)c(=O)c3)CCO2)C1 1875310249 KIGOWUZZBPJTOY-UHFFFAOYSA-N 372.381 0.049 0 50 FCAA O=C(CCc1nc(-c2ncccn2)no1)NCCC(=O)Nc1ncc[nH]1 1875345288 UPJPMVNBSLPMLG-UHFFFAOYSA-N 356.346 0.327 0 50 FCAA C[C@]1(O)CC2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)OC[C@@H]1O 2356161785 JXLQKLUEAARZJW-WMZOPIPTSA-N 372.425 0.979 0 50 FCAA CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 25902950 WTIDTJRZWVHXTG-ZDUSSCGKSA-N 353.444 0.999 0 50 FCAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 35910699 JYKQXPJFWCBXKQ-OAHLLOKOSA-N 353.444 0.740 0 50 FCAA Cc1cccc(CN2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H](C)C2=O)c1 55182856 GKIWADJPIGXLEK-AWEZNQCLSA-N 370.409 0.105 0 50 FCAA Cc1ccc(S(=O)(=O)CCNC(=O)[C@@]23CNC[C@@H]2CN(C)C3)cc1 65452124 SFNAQVJIJJUVNO-RHSMWYFYSA-N 351.472 0.036 0 50 FCAA O=C1NCCN2CCN(C(=O)CCc3nc(-c4ccccc4)no3)C[C@@H]12 65505296 JLUDGWAYOVFMES-AWEZNQCLSA-N 355.398 0.312 0 50 FCAA CN(C)c1ncnc2c1CCN(C(=O)c1ccc(-n3cnnn3)cc1O)C2 71750253 OAPXUQNXZXCZKD-UHFFFAOYSA-N 366.385 0.422 0 50 FCAA CCn1c(CC2CCNCC2)nn(Cc2cc(=O)n3ccccc3n2)c1=O 71762742 MSQHKWAUJLUBBT-UHFFFAOYSA-N 368.441 0.663 0 50 FCAA O=C(O)C[C@@H]1COCCN1S(=O)(=O)c1ccc(-n2cccn2)cc1 72153662 GKJWAUSOHLBNQC-CYBMUJFWSA-N 351.384 0.737 0 50 FCAA CN1CCN(C(=O)c2ccc(Cn3ccnc3)o2)[C@H]2CS(=O)(=O)C[C@H]21 77470849 SFVRSKKBQXQBAT-KGLIPLIRSA-N 364.427 0.078 0 50 FCAA CS(=O)(=O)CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91876907 YHJBYNMSOBOELY-DZGCQCFKSA-N 365.455 0.466 0 50 FCAA COc1ccccc1CN1C[C@H](C(=O)NCCc2n[nH]c(=O)[nH]2)CCC1=O 92038672 MNNKRKSSISJADU-CYBMUJFWSA-N 373.413 0.204 0 50 FCAA CN(C)CCCn1ccnc1C1CCN(C(=O)Cn2cccnc2=O)CC1 95360200 BWFMUDFUXJTGDM-UHFFFAOYSA-N 372.473 0.798 0 50 FCAA CCOCCNC(=O)c1cccc(S(=O)(=O)NCc2nccn2C)c1 95368662 JFHDHGZGAWIXAM-UHFFFAOYSA-N 366.443 0.665 0 50 FCAA CN(C)c1cnn(CC(=O)N2CCCC[C@@H]2CCn2cccn2)c(=O)c1 95500893 MNRWVIKFFKYIHE-OAHLLOKOSA-N 358.446 0.977 0 50 FCAA CCc1ocnc1C(=O)N1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1 95511699 PEGHQKHZAJYZNK-NWDGAFQWSA-N 358.464 0.730 0 50 FCAA CN1CCN([C@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C[C@@H]2O)CC1 206695842 DRGOTDIJLRZYGO-IRXDYDNUSA-N 353.413 0.717 0 50 FCAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@@H](c4cc(=O)nc[nH]4)C3)cc2)n1 216111857 MRIFHNBINPDHCK-CQSZACIVSA-N 365.397 0.980 0 50 FCAA Cn1cc([C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@H]2C[C@@H](O)C2)cn1 223070958 UINLNQOTCAXUCN-CJBNDPTMSA-N 356.382 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O=C(NC1CCC2(CC1)CCN(C(=O)Cn1ncnn1)C2)[C@H]1C[C@@H]1F 1875404960 FWJZYYXAMSOMSQ-BTJONVMOSA-N 350.398 0.309 0 50 FCAA Cc1c(C(=O)NC2CN(C(=O)[C@H](O)c3ccccc3Cl)C2)nnn1C 2325827934 URYSEFVZVDXXMQ-CQSZACIVSA-N 363.805 0.451 0 50 FCAA CCC(CC)CCC(=O)N1CCN(C(=O)c2cn(C)c(O)n2)C[C@H](O)C1 2325878316 KXJWLBYNRAHBMA-CQSZACIVSA-N 366.462 0.987 0 50 FCAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 869665 FJUZUCCYIKQANB-UHFFFAOYSA-N 356.400 0.921 0 50 FCAA Cc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1F 11690199 RURQGMRUXYUUIB-LLVKDONJSA-N 352.391 0.974 0 50 FCAA CCN1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 14398428 KXFOAMSDZFZBCS-UHFFFAOYSA-N 369.487 0.621 0 50 FCAA CN1CCCNC(=O)C12CCN(C(=O)C(=O)Nc1cccc(F)c1)CC2 67490484 SESDGHOLYUKRFC-UHFFFAOYSA-N 362.405 0.577 0 50 FCAA Cc1sc2nc(CCNC(=O)[C@H]3NCCc4[nH]cnc43)[nH]c(=O)c2c1C 72426722 DLVIRGZYEQALRD-AWEZNQCLSA-N 372.454 0.870 0 50 FCAA CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)N1CC(O)C1 77406569 GVNBIDUTASSAER-UHFFFAOYSA-N 350.806 0.843 0 50 FCAA CN(CCO)Cc1nnc(C2CCN(C(=O)CN3CCCC3)CC2)n1C 77516125 HKMPMQHRIQCWAM-UHFFFAOYSA-N 364.494 0.041 0 50 FCAA CN(Cc1nccn1Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)NC1=O 81091609 AYLJHTPLAFZCFU-AWEZNQCLSA-N 355.398 0.878 0 50 FCAA O=C(c1ccc2nnnn2c1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 92078839 XBBOAXDLKCXYAD-GXTWGEPZSA-N 350.386 0.655 0 50 FCAA CC(C)N1CC2(CCC1=O)CCN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 95524981 WPTIWLNLYWFFHC-UHFFFAOYSA-N 372.433 0.639 0 50 FCAA c1ccc(OCCN2CCOCC2)c(CN2CCN([C@@H]3CCNC3)CC2)c1 97436767 XYTWHXBMSFEXDT-HXUWFJFHSA-N 374.529 0.877 0 50 FCAA CN1CC[C@@H]2CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@]2(C(=O)O)C1 212094896 FARNMCXPMHJCAA-BFUOFWGJSA-N 370.409 0.261 0 50 FCAA Cc1nn(C)c2nc(-c3cccnc3)nc(N[C@H]3CS(=O)(=O)C[C@@H]3O)c12 216402279 KQLOIICCNKHECD-RYUDHWBXSA-N 374.426 0.304 0 50 FCAA Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 219314246 ZAOVENJXPKTKOJ-CHWSQXEVSA-N 352.416 0.501 0 50 FCAA COc1ccc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cn1 220347688 ZRLRCVPHURYLAM-INIZCTEOSA-N 359.430 0.928 0 50 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354.447 0.239 0 50 FCAA Cc1sc(-n2cnnn2)c(C(=O)N2CCN3CCN(C)C[C@@H]3C2)c1C 65387080 IZDXPRAXWKJXCV-CYBMUJFWSA-N 361.475 0.412 0 50 FCAA Cc1ncccc1OC1(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)CCNCC1 65403470 YNTHWDKCULUZRR-RDJZCZTQSA-N 363.458 0.888 0 50 FCAA O[C@H]1CN(Cc2cnn(CCN3CCOCC3)c2)C[C@@H]1N1CCCCC1 65422979 DHIHZPGVWQEFEF-OALUTQOASA-N 363.506 0.246 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 67982835 QDAFGMCSOWIZNM-WFASDCNBSA-N 357.414 0.232 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NC1(CO)CCCC1 72149327 SCVYWVFPKCZIJB-INIZCTEOSA-N 363.433 0.938 0 50 FCAA COc1ccccc1N1CCN(C(=O)c2c[nH]nc2-n2cnnn2)[C@H](C)C1 72470565 XHFXPFPWAQIUFK-GFCCVEGCSA-N 368.401 0.745 0 50 FCAA CCOCC(=O)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 77505864 PYDLJJKCCNCDPN-CQSZACIVSA-N 365.478 0.514 0 50 FCAA O=C(CC1CCS(=O)(=O)CC1)N[C@H]1CN(CCCO)C[C@@H]1C1CC1 91365012 FXDXLONGXLTHRP-CVEARBPZSA-N 358.504 0.410 0 50 FCAA CN1CCN(C(=O)CCn2cc(Cl)cn2)C[C@@]12CCNC(=O)CC2 91416408 HAXQYOMFITZCQH-MRXNPFEDSA-N 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1529195715 NYDKWGHZZSCQQK-UONOGXRCSA-N 356.444 0.085 0 50 FCAA O=C(N1C[C@@H](O)[C@H](Cc2cnccn2)C1)C1(N2CCOCC2)CCCCC1 1704280457 RXHLOYURDCHVLV-SJLPKXTDSA-N 374.485 0.874 0 50 FCAA Cc1cc(N2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)nc(N)n1 1704300107 VZLWLGAXOZEBDE-UHFFFAOYSA-N 368.445 0.720 0 50 FCAA CS(=O)(=O)c1ccc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1 1704333141 WFFQHBKWQQFJHL-GJZGRUSLSA-N 368.455 0.307 0 50 FCAA CN(C)C(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)CC1 1704357869 ZMMYXXWQWZYYDU-GDBMZVCRSA-N 361.446 0.232 0 50 FCAA CN1CCn2nc(C(=O)NCCNC(=O)c3ccc(F)cc3)cc2C1=O 1857672335 SDHZYADKCSZYGE-UHFFFAOYSA-N 359.361 0.268 0 50 FCAA COC(=O)c1ccccc1S(=O)(=O)N1C[C@H]2COC[C@H](CN2C)C1 1875250146 AZURVSAOBJZLGM-OLZOCXBDSA-N 354.428 0.424 0 50 FCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 1875366190 CLQQCYQRFUMVOJ-AWEZNQCLSA-N 365.455 0.600 0 50 FCAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCCCN3CCOCC3)cn12 1940193677 GHVWPNBIINMRCW-MRXNPFEDSA-N 361.446 0.871 0 50 FCAA COC1(CN(C)C)CCN(c2ncc(F)c(N3CCOCC3)n2)CC1 2356167907 IFHLGKXGTVEWMP-UHFFFAOYSA-N 353.442 0.999 0 50 FCAA Cn1c(=O)c2c(ncn2CC(=O)N2CCc3ccccc3C2)n(C)c1=O 851788 HMPCJNGQLRDHFJ-UHFFFAOYSA-N 353.382 0.019 0 50 FCAA Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2ccccc2)n(C)c1=O 4370089 XMLDTLJORDKJOP-UHFFFAOYSA-N 360.395 0.659 0 50 FCAA CNS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 55060900 UQTCIVAIPQCJKC-AWEZNQCLSA-N 353.444 0.009 0 50 FCAA CCS(=O)(=O)N1CCN(c2cc(C3CCNCC3)nc(C)n2)CC1 67713568 JXBYBDLJUYWQKX-UHFFFAOYSA-N 353.492 0.724 0 50 FCAA Cc1cc(CN(C)S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)[nH]n1 67840194 DXIQVWQOERGRJZ-UHFFFAOYSA-N 370.456 0.944 0 50 FCAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCc1n[nH]c(N)n1)C2 71422399 HOOGVXIKDCTGDI-UHFFFAOYSA-N 356.434 0.603 0 50 FCAA O=C(Cn1cnnn1)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 77380172 ASGCUYDYKDXLKX-UHFFFAOYSA-N 370.413 0.729 0 50 FCAA Cc1noc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)n1 77516518 WEOGFVGFXJMQEV-UHFFFAOYSA-N 361.450 0.718 0 50 FCAA CC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82120006 RSCYBQKCIZRARE-FQEVSTJZSA-N 372.469 0.991 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccnc1OC)CC2 91893421 VXPKJQSUBVFJPJ-UHFFFAOYSA-N 372.429 0.735 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N[C@H]3CCCNC3=O)ccc21 95356023 KIPUMJIRRHPAAX-ZDUSSCGKSA-N 357.414 0.418 0 50 FCAA COCCCn1cnnc1CNC(=O)Nc1ccc(-c2nnn(C)n2)cc1 96149035 BSOCVHYAJUENDR-UHFFFAOYSA-N 371.405 0.827 0 50 FCAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@@H](N2CCCC2)C1 171442601 GJSVDIHBAKFKPU-CQSZACIVSA-N 357.462 0.953 0 50 FCAA COc1ccc(C(=O)N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)cc1O 216845822 UBNFWIKGAUTBCU-HOCLYGCPSA-N 371.393 0.801 0 50 FCAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(N)=O)c1 219713106 MFPNIWQMJMYOGL-HZPDHXFCSA-N 364.442 0.779 0 50 FCAA Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1 222987227 SIUHFICNXKNYBV-UHFFFAOYSA-N 362.459 0.566 0 50 FCAA Nc1ncc(C(=O)NCCCN2CCC[C@H](CO)C2)c(C(F)(F)F)n1 244872781 WEGPDAZDNKAHSV-JTQLQIEISA-N 361.368 0.902 0 50 FCAA COCc1nnc(NC(=O)CN2CCCN(c3ncccn3)CC2)s1 252479541 BHGNTCKZMMSMLV-UHFFFAOYSA-N 363.447 0.625 0 50 FCAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)[C@H]1CC[C@H](O)CC1)C2 252550906 TUKIZQNCMZCRKI-NOLJZWGESA-N 359.430 0.592 0 50 FCAA C[C@@H]1OCC[C@@]1(O)CNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 279648476 ZRDRHVJWTIQMMP-KHCFPHODSA-N 369.439 0.612 0 50 FCAA CC(=O)N1CCc2cc(S(=O)(=O)N3CCOC[C@]34CCOC4)ccc21 282723715 ZIPOQFXOZGDKLW-QGZVFWFLSA-N 366.439 0.776 0 50 FCAA CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1cc[nH]cc1 408514347 XHSYXYABNKTZNJ-UHFFFAOYSA-N 355.441 0.945 0 50 FCAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1nc2ncccn2n1 670444417 YUKVTRUPPXEGHN-GKUGFIGPSA-N 365.401 0.589 0 50 FCAA Cc1cc(CN2C[C@H](C(=O)N3CCNC(=O)CC3)[C@@H](C(F)(F)F)C2)no1 888103208 PAIGDHVVXDIGBS-STQMWFEESA-N 374.363 0.942 0 50 FCAA O=C1COc2cc(C(=O)N3CCN4[C@@H](C5CC5)COC[C@H]4C3)ccc2N1 1529119786 LSUBQXYRSZWEJS-GDBMZVCRSA-N 357.410 0.953 0 50 FCAA CN(C)c1nc2c(c(N3CCN(CCn4cncn4)CC3)n1)CCCC2 1529139929 YVCWZDAFQWBFFO-UHFFFAOYSA-N 356.478 0.835 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)CCc2ccccc2Cl)C[C@@H]1O 1615937580 BNBDTXYGBNNBDZ-HIFRSBDPSA-N 374.890 0.983 0 50 FCAA Cc1ccccc1CCC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704344059 JKWSPMBCLNHHGR-HOTGVXAUSA-N 354.472 0.950 0 50 FCAA O=C(NCc1cccnc1-n1cncn1)[C@@H]1CC(=O)N(c2nccs2)C1 1857718397 HTBYOCLOIYTRNN-GFCCVEGCSA-N 369.410 0.788 0 50 FCAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc(O)n1 1857719503 ODSIAYHEHKJJEN-ILXRZTDVSA-N 362.430 0.145 0 50 FCAA CCN(CC(=O)NC)C(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2 1875314468 AJPLLFFFHGNNKL-NEPJUHHUSA-N 352.435 0.760 0 50 FCAA COCC(=O)N[C@H]1CCCCC12CCN(C(=O)[C@@H](C)NC(C)=O)CC2 1875356957 TZEMEDVNHPETFI-HIFRSBDPSA-N 353.463 0.825 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N[C@]2(C(N)=O)CCOc3ccccc32)C1 1875371409 ZIKRCQOSDNVPIB-ORAYPTAESA-N 357.410 0.691 0 50 FCAA Cn1c(=O)c2c(nc(NCCCO)n2Cc2ccc(F)cc2)n(C)c1=O 2306198 DDEJTTNTNKTQOW-UHFFFAOYSA-N 361.377 0.415 0 50 FCAA biogenic Cc1ccc(N(CC(=O)NCc2nnc3n2CCC3)S(C)(=O)=O)cc1 55368830 ZVBYJJNQANHEFW-UHFFFAOYSA-N 363.443 0.615 0 50 FCAA CC(=O)Nc1cccc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)c1 61720937 ISEJEFMDKDLPDX-UHFFFAOYSA-N 371.397 0.677 0 50 FCAA CN1CCC2(CC1)CN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CCN2C 67434076 DQVQMDYWTOXHHD-UHFFFAOYSA-N 369.473 0.729 0 50 FCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCC(=O)N(C)C)C2=O)c1 67982143 PDAUYHDPWPAOFW-GOSISDBHSA-N 367.421 0.366 0 50 FCAA NC(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71479609 NSBCDSNZISQQMJ-QGZVFWFLSA-N 373.501 0.750 0 50 FCAA CCn1nc(C(=O)N2CCNC[C@@H]2C(=O)NCc2ccccn2)cc1C 72172511 MUTKHLMZEXWCFF-MRXNPFEDSA-N 356.430 0.337 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1 77437014 PRJQANPAWOQFMY-UHFFFAOYSA-N 367.471 0.518 0 50 FCAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)Cc1c[nH]c(=O)n(C)c1=O 77437768 RALHFPALBQJNDF-CQSZACIVSA-N 356.426 0.601 0 50 FCAA CN(CC(=O)O)c1ncc(CN2CCC3(CC2)OCCC[C@@H]3O)cn1 91649934 SAWIGQZYZSKNMC-AWEZNQCLSA-N 350.419 0.503 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1Cc1noc(CC)n1 96148113 MPRPKZIGRGFGNU-JSGCOSHPSA-N 372.429 0.536 0 50 FCAA O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1Cc2cnn(CCO)c2C1 97173194 LUXYKBUGNVOFPF-LBPRGKRZSA-N 356.382 0.476 0 50 FCAA Cc1ccc2oc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2n1 171499276 BGTPBBWDYXGUDJ-UHFFFAOYSA-N 355.358 0.107 0 50 FCAA NCCN1C(=O)CC[C@@H]2CN(C(=O)Cn3cnc4ccccc43)CC[C@@H]21 215077563 YRIWJJAUCKXYGF-ZBFHGGJFSA-N 355.442 0.835 0 50 FCAA O=C(NCCn1cccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 221377119 SUSAHFPJSXUEIK-HNNXBMFYSA-N 366.418 0.992 0 50 FCAA Cn1ncnc1COc1ccc(S(=O)(=O)N2CCCC[C@H]2CN)cc1 237681638 BFBJYOGXUJPGHW-ZDUSSCGKSA-N 365.459 0.896 0 50 FCAA COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@H](C(=O)O)C3)CC2=O)cc1 262963132 KLADPOAQVIUTMS-ZFWWWQNUSA-N 362.382 0.356 0 50 FCAA CC1(C)COc2c(C(=O)NCCN3CCS(=O)(=O)CC3)cccc21 279274699 SBYUHSIVHJWGKV-UHFFFAOYSA-N 352.456 0.817 0 50 FCAA CN1CCN(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)CC1 299764061 RATZEPKOZQVMOO-UHFFFAOYSA-N 360.462 0.482 0 50 FCAA Cn1c(=O)n(CC(=O)N2CCC[C@@H](c3nnc(O)o3)C2)c2ccccc21 328591328 BXOIBWLFWJUGGB-LLVKDONJSA-N 357.370 0.835 0 50 FCAA CN(C)c1cnc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cn1 332063205 QPEWTNUOSRXPRE-BDJLRTHQSA-N 357.418 0.368 0 50 FCAA CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 375213586 ZWQGJAYZHUFBAR-NEPJUHHUSA-N 352.412 0.540 0 50 FCAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 888098844 WMWQGSVTHXOIDY-LBPRGKRZSA-N 359.401 0.663 0 50 FCAA Cc1nccn1CC(=O)N[C@H]1CCOC[C@H]1Nc1cc(N(C)C)ncn1 952888493 JBPQBMQDRURNCJ-UONOGXRCSA-N 359.434 0.433 0 50 FCAA Cc1cc(C(=O)N2CCCN(C(=O)Cn3ccnc3C)CC2)nc(N)n1 1529190064 DODOWIHTRWTRES-UHFFFAOYSA-N 357.418 0.247 0 50 FCAA COc1ccc(Cc2nnc3n2C[C@@]2(CCN(C(=O)CO)C2)OC3)cc1 1857706844 STYKLNVSEYTYEZ-SFHVURJKSA-N 358.398 0.371 0 50 FCAA CCC[C@@]1(CO)CN(C(=O)c2cnc(N3CCOCC3)nc2)CC[C@@H]1O 1857726017 FLOVSSMALJYYFA-YJBOKZPZSA-N 364.446 0.299 0 50 FCAA O=C1CCCN1C[C@@H](O)CN(CCO)C[C@@H](O)c1ccc(Cl)cc1 1875267267 YOYOODCGYQKJHL-JKSUJKDBSA-N 356.850 0.651 0 50 FCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H]1C[C@]12CC2(F)F 1875308696 SDJKYJDWWXOLAJ-GUYCJALGSA-N 361.348 0.972 0 50 FCAA C[C@@H]1Cn2nc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)cc2C(=O)N1 1875327968 RUCXZBQNQYJVRE-GHMZBOCLSA-N 358.402 0.895 0 50 FCAA CO[C@H]1COc2ccccc2[C@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 2325829754 RDFZSTPOKIJOSJ-UWWPHRKUSA-N 359.426 0.604 0 50 FCAA COc1ccc(CN2CCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]3C2)cc1 14534750 MWYRFOZCQKJSOP-DLBZAZTESA-N 360.458 0.335 0 50 FCAA Cc1nc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2 65386716 WCTWLWPMHPXDEL-AWEZNQCLSA-N 359.474 0.690 0 50 FCAA Cc1ccc(NC(=O)CC(=O)N2CCN3CCNC(=O)[C@H]3C2)cc1Cl 65403479 XYVAULLFIBKQEO-CQSZACIVSA-N 364.833 0.620 0 50 FCAA COCc1nc(N2CCC[C@H](C(=O)NCCCO)C2)c2cnn(C)c2n1 72147413 WTYOGCKBLDMXCQ-LBPRGKRZSA-N 362.434 0.225 0 50 FCAA CS(=O)(=O)c1cnc(NCCN2CCCC2)nc1[C@@H]1CCCNC1 72422937 MOYLCGSNGMFGCY-CYBMUJFWSA-N 353.492 0.855 0 50 FCAA COc1ccc(-c2cn3cc(C(=O)NC[C@@H](C)O)nc3c(=O)n2C)c(F)c1 72480015 UKPMLZKMPICYLW-SNVBAGLBSA-N 374.372 0.958 0 50 FCAA CN(C)CCN1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)CC1=O 74191213 SBWLQDAQFOZUEV-GOSISDBHSA-N 369.469 0.958 0 50 FCAA O=C(CCn1nnc2ccccc21)N1CCOC[C@@](O)(CN2CCCC2)C1 77376983 AJGCQDQAENOXTA-LJQANCHMSA-N 373.457 0.507 0 50 FCAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCNC(=O)C2)[C@@H]3C1=O 77438924 BCISMAXKPNGXFX-PSLQGDIJSA-N 361.442 0.306 0 50 FCAA CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CN1CC(=O)NC1=O 91664085 FHBMRWHNORPLLF-HOTGVXAUSA-N 358.442 0.955 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C(=O)CCn2cncn2)C1 91746778 LQMPDVDTMSLMQL-CQSZACIVSA-N 369.433 0.448 0 50 FCAA CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)C1=O 91932675 ODADIURRVVULEI-INIZCTEOSA-N 364.427 0.489 0 50 FCAA NC(=O)Cn1ccnc1[C@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 95522963 RZXSJIRIFCWOSO-AWEZNQCLSA-N 366.425 0.756 0 50 FCAA O=C1[C@H](N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCN1c1ccccc1 112705612 OSJWXCWMYKAOFY-DLBZAZTESA-N 363.483 0.597 0 50 FCAA O=C(Cn1nc2ccccn2c1=O)N[C@H]1CCN(c2ncccc2Cl)C1 134773254 MBLKWNNLKGPQNN-LBPRGKRZSA-N 372.816 0.940 0 50 FCAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)CSc2nnc(N)s2)CC1 215379209 WUBDDZKGZGKWGM-NSHDSACASA-N 368.488 0.918 0 50 FCAA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc(-n2cnnn2)n[nH]1 221299800 VNNANYYUBATECS-KGLIPLIRSA-N 373.348 0.491 0 50 FCAA Cc1cc(C)n2c(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)nnc2n1 222571364 GAFWJROKEPEUJB-UBHSHLNASA-N 355.402 0.717 0 50 FCAA CC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2C)C[C@@H](O)C1 299786680 OKEBGCSFVDCRKK-HNNXBMFYSA-N 361.446 0.441 0 50 FCAA Cn1cc([C@@H]2CN(C(=O)C3(Cn4ccnc4)CC3)C[C@@H]2CC(=O)O)nn1 299802942 YWMSVLXSDFPDQH-QWHCGFSZSA-N 358.402 0.509 0 50 FCAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCCCCO2)[C@@H](C)O)cc1 329945635 XJRBPTZJAHRYQN-HIFRSBDPSA-N 356.444 0.967 0 50 FCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC2(O)Cc3ccccc3C2)C1=O 370942308 OSWYRFBJDTWOEO-SFHVURJKSA-N 357.410 0.353 0 50 FCAA COCC(=O)Nc1cc(NC(=O)N[C@@H]2CCN(C)C2=O)ccc1OC 426509488 NZIYWIRGUGMKIL-LLVKDONJSA-N 350.375 0.632 0 50 FCAA CC(=O)N1CCCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1 426512390 YRMRAMJFNQFWFB-AWEZNQCLSA-N 361.446 0.220 0 50 FCAA CN1CCN([C@@H](C(=O)NC[C@@H]2CCCCN2CCO)c2ccccc2)CC1 452395041 VYZMBTJIQIRMAX-VQTJNVASSA-N 374.529 0.938 0 50 FCAA Cc1ccn2c(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(C)C)C4)nnc2n1 1704325257 KLHYVWZRBXKYCU-GJZGRUSLSA-N 358.446 0.862 0 50 FCAA COCCCN1C[C@H]2[C@H](NC(=O)c3ccccc3)CS(=O)(=O)[C@H]2C1 1857684400 MKOZVOFXSKSEFQ-XHSDSOJGSA-N 352.456 0.550 0 50 FCAA Cc1cc(C)n(C2CN(S(=O)(=O)CC[C@@H]3CCS(=O)(=O)C3)C2)n1 1857693644 FZRCDKLLKCVGDW-ZDUSSCGKSA-N 361.489 0.511 0 50 FCAA CN1CC2(CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)OC1=O 1857725494 YYYYJWGBSPBFLR-NSHDSACASA-N 364.427 0.939 0 50 FCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c(=O)nc(O)c2ccccc21 1875345407 ZMKPAEAFFVVJJV-RHSMWYFYSA-N 350.378 0.843 0 50 FCAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cnc2n1CCOC2 1875401531 KSUBIFVNZMZDBE-BXUZGUMPSA-N 358.402 0.861 0 50 FCAA COc1ccc(-c2nn(C[C@H]3CCS(=O)(=O)N3C)c(=O)s2)cn1 1875404587 NPWSFQOVKPIEGY-SNVBAGLBSA-N 356.429 0.409 0 50 FCAA CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 778729 WXVLMGAEQIFKPX-UHFFFAOYSA-N 356.430 0.456 0 50 FCAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 6726736 ZLFKPCVGRRHFST-AWEZNQCLSA-N 360.382 0.977 0 50 FCAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NC[C@H]3CCCO3)c2)C1=O 12002721 LCSVXZDJTDCIFC-SMDDNHRTSA-N 352.412 0.908 0 50 FCAA Cc1cc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)ccc1N1CCOCC1 65373104 QBPPWIUIQVNHRB-QGZVFWFLSA-N 358.442 0.088 0 50 FCAA CCCc1cc(C(=O)N2CCn3nc(C(=O)N4CCOCC4)cc3C2)[nH]n1 67908835 KMQSIIYUUGNVNL-UHFFFAOYSA-N 372.429 0.687 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1nc2nc(C)cc(C)n2n1 67909718 MVLVNRVETPTMNH-OLZOCXBDSA-N 359.434 0.151 0 50 FCAA C[C@@H]1CCc2n[nH]c(C(=O)N3CCc4c(nc(N(C)C)[nH]c4=O)C3)c2C1 71749801 OIGPTFRLHHYOFT-SNVBAGLBSA-N 356.430 0.882 0 50 FCAA NC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72172400 FBLMTTXADZBICF-CYBMUJFWSA-N 370.812 0.161 0 50 FCAA CCC(=O)N1CCN(C(=O)c2cc(C3CC3)on2)[C@H]2CS(=O)(=O)C[C@H]21 72433064 IJVZOZZARUTRJR-OLZOCXBDSA-N 367.427 0.412 0 50 FCAA COc1cc(=O)n2c(c1C(=O)N1CCC(c3ncc[nH]3)CC1)CCNCC2 72447482 TUHNBDVKYFXFPG-UHFFFAOYSA-N 371.441 0.746 0 50 FCAA Cc1nn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c(=O)n1-c1ccc2c(c1)OCO2 77458333 INIDZSCGCPVBGK-TXEJJXNPSA-N 374.397 0.707 0 50 FCAA Cc1ccc([C@H]2CN(C(C)C)C[C@@H]2NS(=O)(=O)N2CCOCC2)o1 92003270 VDDKEYWBRRAJRF-GJZGRUSLSA-N 357.476 0.931 0 50 FCAA CC(C)(CNC(=O)N1CCC[C@H](Cn2ccnn2)C1)N1CCOCC1 120213520 BUCLIIXQEFZZGI-HNNXBMFYSA-N 350.467 0.811 0 50 FCAA CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(CC(=O)OC)n2)C1=O 170611433 MBEBUVOEICEFTF-UHFFFAOYSA-N 362.386 0.846 0 50 FCAA CC(=O)NC1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1 189954956 PKSNTFJRPALBGC-AWEZNQCLSA-N 360.458 0.937 0 50 FCAA COc1cccc2c1ccn2CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O 206414902 PRGGPIDUNBYBCL-LBPRGKRZSA-N 362.386 0.668 0 50 FCAA COc1cccc(CN2CCN(C(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@H]3O4)CC2)c1 239275178 BGWXNYCWNDJRBT-BRSBDYLESA-N 372.421 0.994 0 50 FCAA COc1ccc([C@H](NS(=O)(=O)c2cc(C)nn2C)[C@H]2C[C@@H](O)C2)cn1 244690924 IZKMTKKOVGTGNO-ZENOOKHLSA-N 366.443 0.923 0 50 FCAA Cc1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1F 252503880 VGYDVNLTFAGGJG-LLVKDONJSA-N 357.407 0.149 0 50 FCAA CN1CCC([C@H]2OCC[C@@H]2C(=O)N2CCN(CC(C)(C)O)CC2)CC1 408473988 XBPTZIIBTQGPHK-DLBZAZTESA-N 353.507 0.648 0 50 FCAA CCc1c(C)nn(CCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1C 426490409 WROJSZZKSNRVCB-CQSZACIVSA-N 356.492 0.297 0 50 FCAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ncccc3[nH]1)C2 823683210 OLQRQOOCPDMMKK-AWEZNQCLSA-N 355.402 0.405 0 50 FCAA Cc1c[nH]ccc1=NCCNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 825253300 HQQSCOLRDAPMPO-UHFFFAOYSA-N 362.411 0.647 0 50 FCAA O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC(c2cc(CO)on2)C1 886085467 HVPCQFBNCQWYBT-GOSISDBHSA-N 357.410 0.994 0 50 FCAA NC(=O)[C@]1(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)CCOC1 886097118 WCQLHXOWMSTXMW-KRWDZBQOSA-N 353.369 0.296 0 50 FCAA CCOCC(=O)N1CCC(C(=O)N2CCN(C)C(=O)[C@@H]2C(C)C)CC1 952980072 WBBVGNXZYJMYHT-INIZCTEOSA-N 353.463 0.587 0 50 FCAA O=C(CN1C[C@@H]2COCC[C@]2(C(=O)O)C1)NCCc1ccc(F)cc1 1772707621 VWUCOWHAZMBTES-KDOFPFPSSA-N 350.390 0.908 0 50 FCAA O=S(=O)(CCOc1ccc(F)cc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669204 HYHPUFJKKPHVAG-XJKSGUPXSA-N 359.419 0.865 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3nn[nH]c3c2)[C@H]1c1cnn(C)c1 1857699772 XZCKRAYTUDGQPA-IRXDYDNUSA-N 369.429 0.835 0 50 FCAA Cc1ccc(-n2nc(C(=O)N[C@H]3CCC(=O)NC3=O)c(=O)cc2C)c(C)c1 1857798086 ODLXTXVLVDENPZ-ZDUSSCGKSA-N 368.393 0.693 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 1875369531 UJYCYRCAJUTPBK-CQSZACIVSA-N 359.430 0.375 0 50 FCAA CC1(C)C[C@H](S(C)(=O)=O)CN1C(=O)c1cn(CC2CC(N)C2)nn1 2325840057 NMJITDNPRDSPSC-MCIGGMRASA-N 355.464 0.053 0 50 FCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cnc5ccccn5c4=O)C[C@@H]13)O2 2356163515 HBSZRAIMBSWBTC-OLPIVMHESA-N 368.437 0.876 0 50 FCAA CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12 1621007 DACUJXBUANTBKE-UHFFFAOYSA-N 361.353 0.997 0 50 FCAA in-vitro NS(=O)(=O)c1ccc2c(c1)oc(=O)n2S(=O)(=O)c1ccccc1 22203684 XGVBQPXZHWHOQL-UHFFFAOYSA-N 354.365 0.479 0 50 FCAA CCc1n[nH]c(SCC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)n1 55131183 JYYKYOLOTBPHJO-GFCCVEGCSA-N 367.475 0.699 0 50 FCAA CC(C)NC(=O)CNC(=O)[C@H]1C[C@@H](C(=O)O)N(C)[C@H]1c1ccccc1F 67908351 JITFPNMJCYJGSF-NOLJZWGESA-N 365.405 0.913 0 50 FCAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)n(C)n1 72167690 YDNCAVQZLHQBKT-GOSISDBHSA-N 360.462 0.576 0 50 FCAA NCCN1C(=O)CC[C@H]2CN(C(=O)Cn3cnc4ccccc43)CC[C@H]21 72411408 YRIWJJAUCKXYGF-GOEBONIOSA-N 355.442 0.835 0 50 FCAA O=C(CCCn1cnnn1)N1CCc2ncnc(NC3CCC3)c2CC1 72432720 UKNXRORHJHIOIV-UHFFFAOYSA-N 356.434 0.835 0 50 FCAA O=C(Cn1cncn1)N1CCc2ncnc(NC[C@H]3CCCO3)c2CC1 72463449 XREHYJHIUZUCPY-CYBMUJFWSA-N 357.418 0.286 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCc4ccccc4C2)[C@@H]3C1=O 77342852 RQVLMTMPQKXDQW-OOSNJVJTSA-N 368.433 1.000 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncccc2C)[C@@H]3C1=O 77538710 DBGANZCNJXEIJX-XLSPSMHOSA-N 371.437 0.777 0 50 FCAA CC(C)[C@H]1CN(CC(N)=O)C[C@@H]1NC(=O)c1scc2c1OCCO2 91625279 JBGBAOQEVFHUJY-MNOVXSKESA-N 353.444 0.691 0 50 FCAA O=C(N1CCOCC1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91650418 SSJINTKOSJLZRS-GOSISDBHSA-N 351.447 0.932 0 50 FCAA CC(C)N1CCC[C@@]2(CCN(S(=O)(=O)N3CCN(C)CC3)C2)C1=O 91738157 FPRNNLZVEHNSJR-INIZCTEOSA-N 358.508 0.202 0 50 FCAA CC(=O)N1C[C@H](c2ccccc2)[C@@H](NS(=O)(=O)N2CCOCC2)C1 91846622 PGGYQVJAVVWFRZ-CVEARBPZSA-N 353.444 0.168 0 50 FCAA CS(=O)(=O)NCC(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 92038364 FASAQSOBBCWUMC-INIZCTEOSA-N 357.476 0.319 0 50 FCAA O=C1NC2(CCN(C(=O)Cn3cccnc3=O)CC2)C[C@@H]1c1ccccc1 95389249 DIHGFCLIHDFGHW-MRXNPFEDSA-N 366.421 0.908 0 50 FCAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1cn(CC(C)C)cn1)C2 189215222 BIHBPDSPXRXQFJ-UHFFFAOYSA-N 365.459 0.863 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2nc[nH]c2C(=O)O)cc1 215686144 VZGJKXGOTVIQPZ-UHFFFAOYSA-N 366.399 0.515 0 50 FCAA O=C([C@@H]1CNCCO1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 215897982 WRFFWRCOGCXOCX-FQEVSTJZSA-N 372.513 0.784 0 50 FCAA Cc1cc(C)n2c(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)nnc2n1 220022810 GAFWJROKEPEUJB-KWCYVHTRSA-N 355.402 0.717 0 50 FCAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 239274999 BBFJZZWRXVVKEC-BPKGMFCQSA-N 351.399 0.945 0 50 FCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@H]2CO)cn1 275294653 MGBKYFPGKROEMP-HOCLYGCPSA-N 363.439 0.752 0 50 FCAA Cn1c(CO)nnc1C1CCN(C(=O)Cn2nc3ccccc3n2)CC1 299757025 HDEWVORHHMSFDV-UHFFFAOYSA-N 355.402 0.458 0 50 FCAA CSCC[C@H](N)C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299796996 QNYCXNYXJZENBN-HNNXBMFYSA-N 365.503 0.722 0 50 FCAA O=C(NCC1(NC(=O)[C@H]2CCCCO2)CCOCC1)[C@H]1CCCCO1 333259956 LZUPHSLZCCOWQD-HUUCEWRRSA-N 354.447 0.906 0 50 FCAA COc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)c(OCCN)c1 426541540 RAGJNPGDVIALIU-GOSISDBHSA-N 363.414 0.106 0 50 FCAA COC(=O)c1c(-c2ccc(C(=O)N[C@H]3CCN(C)C3=O)cc2)cnn1C 534587370 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MNLCXUJAAKAWEK-IYOUNJFTSA-N 355.398 0.927 0 50 FCAA COCc1nnc(N2C[C@@H](C(=O)NCC[C@H]3C[C@@H](O)C3)CC2=O)s1 1857719705 TUZNWUBLCOBZIZ-GARJFASQSA-N 354.432 0.315 0 50 FCAA Cc1nc2ccc(Cc3nc(CC(N)=O)nn3C[C@@H]3COCCO3)cc2[nH]1 1857729986 LSSYIACEZNFWGV-CYBMUJFWSA-N 370.413 0.497 0 50 FCAA O=C(CO)N1CCC([C@@H](O)CN2CCN(c3ccccc3F)CC2)CC1 1857736837 YOVLBUWAEXPRRR-SFHVURJKSA-N 365.449 0.540 0 50 FCAA Cc1cc2[nH]c(=O)c(C(=O)N3CCC(N=c4cc[nH]cc4)CC3)cn2n1 1875297465 RPGOQGMUNAJZMC-UHFFFAOYSA-N 352.398 0.865 0 50 FCAA C[C@@H]1CO[C@H](C(=O)N2CC(O)([C@H](C)NC(=O)Cc3ccc(F)cc3)C2)C1 1875344008 BKKXBSHBYHEKJT-XEZPLFJOSA-N 364.417 0.871 0 50 FCAA CN=c1nc(C(=O)N2CCC3(CC2)C[C@H](O)c2nn(C)cc2O3)cc(C)[nH]1 1875394262 BDFDXXFWDFCAJH-ZDUSSCGKSA-N 372.429 0.473 0 50 FCAA O=C(C[C@@H]1CNC[C@H]1O)NCCc1ccc(N2CCOCC2)c(F)c1 1875401921 WFFVGXFQKSBRBV-RHSMWYFYSA-N 351.422 0.291 0 50 FCAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cnn2c1CC(F)(F)C2 2325789567 YNJOWUMNZLQZTJ-JTQLQIEISA-N 354.357 0.490 0 50 FCAA O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCCCN(CC2CCC2)C1 2325868141 PWAMUHYGBZUKCX-INIZCTEOSA-N 357.520 0.488 0 50 FCAA CCOCC(=O)N[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)cc2)CC[C@H]1O 2356152644 TURZWLVHPIECQI-USXIJHARSA-N 364.442 0.733 0 50 FCAA Cn1cc(S(=O)(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)cn1 2804479 CBDXKUGZNKWDDG-UHFFFAOYSA-N 364.387 0.477 0 50 FCAA COc1ccccc1CN1C(=O)O[C@@H]2CN(S(=O)(=O)N(C)C)C[C@@H]21 12438768 VWUQBJWDRUSUHG-GXTWGEPZSA-N 355.416 0.507 0 50 FCAA COc1cccc(C(=O)N2CCN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H]3C2)c1 14532186 XBZSUYHKJXLMEX-HZPDHXFCSA-N 359.426 0.893 0 50 FCAA Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(N2CCCCC2)n1 20028172 OHERBLBGHXFNFN-UHFFFAOYSA-N 371.445 0.995 0 50 FCAA Cc1ccccc1[C@@]1(O)CCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1 20406431 WZXRRPOLUGVTHG-LJQANCHMSA-N 356.426 0.738 0 50 FCAA CN1CCN(n2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)CC1 40388213 HMUYXHYEFKEPCC-UHFFFAOYSA-N 361.409 0.990 0 50 FCAA COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCCCn3nnnc31)C2 65375028 RGHADVKWSZUKNZ-LBPRGKRZSA-N 359.390 0.356 0 50 FCAA CC(C)CN1CCN(c2nc(N(C)C)nc3c2CCNC3)C[C@@H]1CCO 67973880 FGOSSZFAQNKNMM-HNNXBMFYSA-N 362.522 0.717 0 50 FCAA COc1nc2c(cc1CNC(=O)[C@H](C)O)C(=O)N(CCc1ccccn1)C2 71499156 RBSAPEUEUVEARS-LBPRGKRZSA-N 370.409 0.681 0 50 FCAA CNC(=O)CN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71776306 ZKJYNDMDKJBTLN-KRWDZBQOSA-N 373.501 0.620 0 50 FCAA CCCN1C(=O)N[C@@H](CC(=O)NCc2c(C)ncc3c2CCNC3)C1=O 72153417 HMVPTVXWKQLHGV-HNNXBMFYSA-N 359.430 0.372 0 50 FCAA CCN(CCCCO)C(=O)[C@@H]1CN(C(=O)c2snnc2C)CCO1 72436224 HPQNDXZNOKNKOI-LBPRGKRZSA-N 356.448 0.309 0 50 FCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CSc1nncn1C)C2 91254442 AFJXPGXWEVLDPA-NWDGAFQWSA-N 353.448 0.003 0 50 FCAA O=C(c1ccc2c(c1)OCCO2)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91657068 CQOQJXSSAHCOQE-HZPDHXFCSA-N 362.426 0.471 0 50 FCAA CC(=O)NCC(=O)N1CCC2(CC1)CC(=O)N(Cc1c(C)noc1C)C2 95378428 UMRNFIQTVFABLM-UHFFFAOYSA-N 362.430 0.769 0 50 FCAA CN(CC1(CO)CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95505119 BPMNXGIQZLZRCB-MRXNPFEDSA-N 361.442 0.678 0 50 FCAA O=C1C[C@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)CN1Cc1ccncc1 97546497 SGODGNOFBDZXSO-KRWDZBQOSA-N 370.453 0.901 0 50 FCAA O=C(CCNC(=O)[C@H]1COCCN1C1CCCC1)NCc1ccccn1 170610651 RBYDYTBXUCJVEV-QGZVFWFLSA-N 360.458 0.848 0 50 FCAA O=C1O[C@H]2CN(S(=O)(=O)N3CCCCC3)C[C@H]2N1Cc1ccccn1 207879609 YRQZZJPEVWNEHI-CABCVRRESA-N 366.443 0.817 0 50 FCAA CN1CCN(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)CC1 219840077 FRVCUXAWEMKREW-HZPDHXFCSA-N 362.430 0.279 0 50 FCAA CN(c1nncs1)S(=O)(=O)CCCS(=O)(=O)N1CCCC1 253423144 PTKMEARWQAIBLI-UHFFFAOYSA-N 354.479 0.120 0 50 FCAA CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1)c1ccccc1 273361834 ONMOYOWUQZNPMY-CQSZACIVSA-N 363.443 0.831 0 50 FCAA CN1CC[C@H]2OCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)[C@H]2C1 285287338 OMKXNLXUGNBMFE-JKSUJKDBSA-N 372.425 0.284 0 50 FCAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(C(=O)CCc1n[nH]c(C)n1)CC2 299790591 BWGHXDZWCXRGOM-JKIFEVAISA-N 352.435 0.593 0 50 FCAA C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccs2)C(=O)C1 373341503 YGXKGGKAYJQBEY-VXGBXAGGSA-N 371.484 0.089 0 50 FCAA Cn1cc(-c2nnc3n2CCN(C[C@H](O)COc2ccccc2)C3)cn1 377777787 IGDQOJPFFCMDIN-HNNXBMFYSA-N 354.414 0.934 0 50 FCAA CC1=C(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)[C@H](C)n2nnnc2N1C 847428823 BUCXSEPGVBEXSZ-VIFPVBQESA-N 368.357 0.940 0 50 FCAA CCc1nsc(N2CCN(C(=O)COC3CCN(C)CC3)CC2)n1 933795716 SUPVPPTVRLCZFV-UHFFFAOYSA-N 353.492 0.860 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)OCCO2 1704358756 RZXRYEPUQVFNOX-STQMWFEESA-N 370.427 0.094 0 50 FCAA CN(c1ccc(C(=O)N2CCC([C@H](O)CO)CC2)cc1)S(C)(=O)=O 1772704976 VMYPBTCGZVJTHA-OAHLLOKOSA-N 356.444 0.288 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1 1857737118 YBJOWWWYJVRPOR-ZBFHGGJFSA-N 361.423 0.405 0 50 FCAA CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)N=c2cc3n([nH]2)CCC3)C1 1875277435 LPWSENVQRMKLCS-ZDUSSCGKSA-N 369.491 0.823 0 50 FCAA COC(=O)/C=C/CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1875312030 RDHCZACKGHZBRC-ZDSVCRJJSA-N 364.373 0.175 0 50 FCAA COc1ccc(OCC(=O)N2CC3(CCN(CC(=O)N4CCC4)C3)C2)cc1 1875338606 DMEUQYAZVLENIZ-UHFFFAOYSA-N 373.453 0.841 0 50 FCAA CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc3c(C)ccnc23)C[C@H]1O 1875399346 WRVKWLXZZVMOJO-TZMCWYRMSA-N 363.439 0.661 0 50 FCAA O=C(c1cc(=O)nc2sccn12)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 2100548382 ZKFAVBVEWIPMTF-TZMCWYRMSA-N 360.439 0.691 0 50 FCAA Nc1nonc1-c1nnnn1CC(=O)Nc1cccc(C(F)(F)F)c1 1004606 VNTWCSJFVIZLLI-UHFFFAOYSA-N 354.252 0.963 0 50 FCAA O=C1NC(=O)[C@H](CCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)N1 47455651 BHZXSSMFPLMQIP-HNNXBMFYSA-N 362.405 0.848 0 50 FCAA CCN1C(=O)[C@@H]2[C@H](C(=O)OC)N[C@H](c3cc(F)c(F)cc3F)[C@@H]2C1=O 65405608 WXQLPGIUEUZWDR-YVECIDJPSA-N 356.300 0.911 0 50 FCAA O=C1NCCN2CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)C[C@@H]12 65528868 PCJAYOBHHVZZDE-HNNXBMFYSA-N 359.817 0.782 0 50 FCAA CN1CCCNC(=O)C12CCN(C(=O)[C@H]1COc3ccccc3O1)CC2 67642804 AIZCIHYPIMAWTO-MRXNPFEDSA-N 359.426 0.639 0 50 FCAA CCn1c(C2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)n[nH]c1=O 67695648 TVTFMWZKJBEFEU-UHFFFAOYSA-N 371.397 0.942 0 50 FCAA Cc1nc2c(c(NC3CC=CC3)n1)CCN(C(=O)[C@H]1CNC(=O)C1)CC2 72474151 PVAHWCQUXOZNNI-CYBMUJFWSA-N 355.442 0.979 0 50 FCAA COCCN(C)C[C@@H]1CN(C(=O)c2nc3ccc(F)cc3[nH]2)C[C@@H]1CO 91706610 FNITVDKAPZKXRE-CHWSQXEVSA-N 364.421 0.961 0 50 FCAA CN(CCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1)S(C)(=O)=O 91768825 BAFTXZMSTGDKOM-QGZVFWFLSA-N 371.503 0.519 0 50 FCAA COCCN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccon1)CCN2C 91906432 JQAKYGXXXWJHON-KRWDZBQOSA-N 350.419 0.460 0 50 FCAA COc1ccccc1CNC(=O)CN1CCN(C)[C@]2(CCNC(=O)CC2)C1 107423089 IQLICVPQRPJVGM-HXUWFJFHSA-N 374.485 0.598 0 50 FCAA Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC1CCN(CCN(C)C)CC1 114381569 KYGVDGUSEKJTMO-UHFFFAOYSA-N 361.446 0.828 0 50 FCAA CC(=O)NC1CN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C1 189954936 PKSNTFJRPALBGC-CQSZACIVSA-N 360.458 0.937 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3cccnn13)C2 218983446 RTYFGKXNQCRNHU-OAHLLOKOSA-N 355.402 0.177 0 50 FCAA O=C(CN1CCCN([C@H]2COC[C@@H]2O)CC1)NCCc1ccc(F)cc1 244899883 ZSGARLDDRDRFJO-ROUUACIJSA-N 365.449 0.252 0 50 FCAA NS(=O)(=O)c1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)cc1 263436195 VJUAJYCNXNCGOQ-UHFFFAOYSA-N 362.411 0.754 0 50 FCAA Cn1c(O)ncc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1=O 267557947 DZJVXZKFWQKMPV-UHFFFAOYSA-N 356.382 0.521 0 50 FCAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)C2)n1 275332538 QRECPLFYONTEQR-QFYYESIMSA-N 365.411 0.984 0 50 FCAA COCCN1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1 363250216 KMNIMXGCGGTBAX-JKSUJKDBSA-N 362.478 0.774 0 50 FCAA COCCc1noc(CN2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)n1 364341607 UKQORLLNFYHCER-CYBMUJFWSA-N 371.397 0.943 0 50 FCAA COc1ccccc1C(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 426369089 BEEGIQLQAIKGFH-AWEZNQCLSA-N 374.441 0.783 0 50 FCAA Cn1c(CO)nnc1C1CCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1 534664795 GFRGDAKWHRRZND-RDJZCZTQSA-N 371.441 0.855 0 50 FCAA COCCN1CC[C@@H](CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)C1 670452774 LHJDYBXEDBIDHM-LBPRGKRZSA-N 369.443 0.676 0 50 FCAA CO[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1c1cn(C)nn1 886077953 KPVTWQMVPZVAFK-XJKSGUPXSA-N 353.386 0.650 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O=C(NCCc1nc(-c2cccnc2)no1)[C@H]1CC2(CCNCC2)CN1 72162213 QGKGZALTCDVVDO-CQSZACIVSA-N 356.430 0.522 0 50 FCAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)n1C 72481319 WDHOELIGDQASPF-CYBMUJFWSA-N 368.445 0.939 0 50 FCAA COCCc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n(C)n1 156832837 RVDWRZSJLOCUCV-ZDUSSCGKSA-N 357.414 0.991 0 50 FCAA CC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(-c3ncn(C)n3)c2)CC1 190709863 TUQLBEBSKYPSNZ-ZDUSSCGKSA-N 357.414 0.940 0 50 FCAA Cc1cn(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c(=O)[nH]c1=O 215249937 PAPIAVBHHFGONA-UHFFFAOYSA-N 369.381 0.335 0 50 FCAA CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)O)c2cnn3cccnc23)c1O 218178119 ZMXMFNHEORJBRK-SECBINFHSA-N 372.337 0.907 0 50 FCAA Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(=O)[nH]c1=O 219223164 IUQRNBNRHHOHNO-KGLIPLIRSA-N 363.345 0.179 0 50 FCAA Cc1cc(C)n(CCCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)n1 222565487 XKJCNMQYUYRVBL-SLBVQIDZSA-N 370.475 0.101 0 50 FCAA C[C@H]1CN(CCC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@@H](C)O1 237605599 FRBRMLMRUCJYOV-IYBDPMFKSA-N 366.506 0.156 0 50 FCAA O=C(c1ccccn1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 247802114 GMWMKQQZNUKHIB-SJORKVTESA-N 372.450 0.600 0 50 FCAA COC(=O)c1cn(-c2ccc(C(=O)NCC(=O)O)cc2)cc2c(=O)[nH]nc1-2 253413202 UCRXFIABGYEIMZ-UHFFFAOYSA-N 370.321 0.266 0 50 FCAA C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1nc[nH]n1 266793927 WZDBZYAYCUDGEX-MNOVXSKESA-N 357.370 0.806 0 50 FCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnc[nH]1 426379658 JBZDOQFKNXUADK-KRWDZBQOSA-N 355.442 0.768 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(-c3ccncc3)n[nH]2)C1 824370238 QXYNBQLQFLAABS-GFCCVEGCSA-N 366.447 0.560 0 50 FCAA COc1c(F)cc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)cc1F 1565511958 RXMMEAHEMHNGMD-KBPBESRZSA-N 371.384 0.227 0 50 FCAA Cc1nnc(N2C[C@H](C(=O)NCCc3csc(=N)[nH]3)CC2=O)s1 1857720618 BVURRQPMFZRRFB-MRVPVSSYSA-N 352.445 0.427 0 50 FCAA CN(Cc1ccccc1)S(=O)(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857730856 ADHJYMBOLQRUPE-WBVHZDCISA-N 365.455 0.786 0 50 FCAA C=CC(=O)N1CC2(CO[C@H](CNC(=O)c3c(C)nc4ccnn4c3C)C2)C1 1875389227 GSJQORQTIOAARK-AWEZNQCLSA-N 369.425 0.879 0 50 FCAA Cn1nnc2cc(S(=O)(=O)N[C@H]3CCN(Cc4ccncc4)C3)ccc21 2325821505 UMVODCJGHMXRKX-AWEZNQCLSA-N 372.454 0.916 0 50 FCAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccc2c(c1)OCO2 1066439 CXVRNXKZKKUNGS-UHFFFAOYSA-N 363.395 0.893 0 50 FCAA O=C(O)CCC(=O)Nc1cc(NC(=O)CCC(=O)O)cc(C(=O)O)c1 3107243 WZAXTYUTZBIWNX-UHFFFAOYSA-N 352.299 0.991 0 50 FCAA CCN1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 20567837 AZYANKUQZUKLMA-UHFFFAOYSA-N 369.443 0.345 0 50 FCAA c1cnc(N2CCC(Cn3cc(CN4CCCNCC4)nn3)CC2)nc1 23429541 AUYLCVXNBVKTLX-UHFFFAOYSA-N 356.478 0.780 0 50 FCAA COCCn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)CC(C)(C)C 55061138 IDSBVOUURJFRIY-UHFFFAOYSA-N 372.491 0.281 0 50 FCAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)no1 55175468 DORWWTNMIFGWBF-UHFFFAOYSA-N 350.356 0.334 0 50 FCAA CS(=O)(=O)NCC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 57048849 ZCSAAYYLAIKMLG-UHFFFAOYSA-N 373.862 0.564 0 50 FCAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCN3C(=O)CNC(=O)[C@@H]3C2)n1 65436215 NJMKMXJKQKLVBO-KRWDZBQOSA-N 371.416 0.771 0 50 FCAA CCOC(=O)N(C)Cc1cn([C@@H]2CN[C@H](C(=O)N(CC)CC)C2)nn1 67789154 BAEHEZAMBIYVBA-KBPBESRZSA-N 352.439 0.638 0 50 FCAA CCc1nnsc1C(=O)N1CCNC[C@@H]1C(=O)NCc1ccccn1 72171121 JVZMXVURGBWNCC-CYBMUJFWSA-N 360.443 0.226 0 50 FCAA O=C(c1cccc(N2CCS(=O)(=O)CC2)c1)N1CCOC[C@H](CO)C1 77298990 FOHJWTKSSOPYKV-AWEZNQCLSA-N 368.455 0.002 0 50 FCAA COc1ccccc1CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 77299023 HLOGRGKKPQSIRX-CQSZACIVSA-N 356.426 0.974 0 50 FCAA CCNC(=O)CN1CCN(c2ncccc2C(=O)N2C[C@@H]3CC[C@H]2C3)CC1 86078276 NXPHMKKURMIKDB-CVEARBPZSA-N 371.485 0.964 0 50 FCAA CN1CCCN(C[C@@H]2CN(Cc3ccc(CCN)cc3)C[C@@H]2CO)CC1 91468857 JOOIZSKLQZOHMR-NHCUHLMSSA-N 360.546 0.866 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 91649940 RNSUVMPUCWNHSQ-GXSJLCMTSA-N 359.835 0.524 0 50 FCAA COc1cccc2c1OC[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)C2 91691553 ASQWKUSXICISGQ-ZDUSSCGKSA-N 354.428 0.350 0 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0.734 0 50 FCAA O=C(Cn1cnnn1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 219800981 YUFMYPQTYGOQSP-PBHICJAKSA-N 352.442 0.763 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 220379275 RTXGSKLBLRJBDH-CQSZACIVSA-N 365.821 0.476 0 50 FCAA COc1cncc([C@H](NC(=O)CCc2ccc(=O)[nH]n2)[C@H]2C[C@H](O)C2)c1 244633757 GJCSYLNRCQYEIG-YRILPIOLSA-N 358.398 0.735 0 50 FCAA COCCn1nnnc1[C@H]1CN(CC(=O)Nc2ccc(F)cc2)CCO1 244816872 SPZBDZMBRXYSRG-CQSZACIVSA-N 364.381 0.471 0 50 FCAA CN(CC(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1)Cc1ccncc1 252479852 BNYFAHZXPCXZLN-HNNXBMFYSA-N 354.476 0.301 0 50 FCAA O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC[C@H]1COc2ccccc2O1 252512419 QKAFBWKBUZXWJY-BFHYXJOUSA-N 356.378 0.894 0 50 FCAA COc1ccc(S(=O)(=O)CCC(=O)N(C)[C@@H]2CCNC2)cc1OC 269146887 FYDQPWJCTLDRIS-GFCCVEGCSA-N 356.444 0.688 0 50 FCAA COc1ccc(NC(=O)CC(=O)NCC(F)(F)F)cc1-n1nnnc1C 272350137 CFCBQGRNGHWQRJ-UHFFFAOYSA-N 372.307 0.986 0 50 FCAA CC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)sc3ccccc3c2=O)C1 273104629 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CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)Cn3[nH]nnc3=N)O2)CC1 1506398027 RZTJJECOMUFTPM-AWEZNQCLSA-N 363.466 0.182 0 50 FCAA Cc1cc(C[C@@H]2CN(c3ccc(CS(C)(=O)=O)cn3)C[C@@H]2O)on1 1704324734 DQZQIFVOKHCNFE-HIFRSBDPSA-N 351.428 0.962 0 50 FCAA O=C(CCn1cnnn1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857676763 LVKWBYGNQYEGAC-QGZVFWFLSA-N 356.386 0.339 0 50 FCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NC[C@@H]2CCCO2)C1)c1cn[nH]c1 1857690832 NQTYJNHJDJPWJP-RLFYNMQTSA-N 361.446 0.432 0 50 FCAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCc2ccccn2)C1)[C@H]1CCCO1 1857691554 PXYKUDDSNCPBJH-SQGPQFPESA-N 372.469 0.990 0 50 FCAA COc1cc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)[nH]c(=N)n1 1857727242 NPTCULSRQPTOAJ-GJZGRUSLSA-N 369.425 0.904 0 50 FCAA CC1(C)CN(S(=O)(=O)NCCn2cnc3ccsc3c2=O)CCO1 1875321836 XWIROJZZOSPMQO-UHFFFAOYSA-N 372.472 0.403 0 50 FCAA Cn1cncc1C(=O)N1CC(NC(=O)c2cnn[nH]2)(c2ccccc2)C1 1875331249 WPTCWELVRSLSMQ-UHFFFAOYSA-N 351.370 0.320 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC(n3nnnc3C(F)(F)F)C2)C1 1875382749 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0.860 0 50 FCAA CN(C)C(=O)CN1CCN(C(=O)NCCc2nc3ccccc3n2C)CC1 426489589 HKYMFEFLTKEMEQ-UHFFFAOYSA-N 372.473 0.531 0 50 FCAA Cc1nc(-c2cccc(C(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)c2)n(C)n1 584899343 CTCDTTFNHXXWRH-ZYGGUILKSA-N 356.426 0.994 0 50 FCAA O=C(NCc1noc(-c2ccco2)n1)N1CCN(CCn2cncn2)CC1 827946648 YHJQVNOAURPTKZ-UHFFFAOYSA-N 372.389 0.449 0 50 FCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1074573184 XXJFEFHXTZBXGD-GVDBMIGSSA-N 364.467 0.824 0 50 FCAA CCOCCOc1ccccc1C(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1O 1565512461 QHSGMPRMTHSUMU-HOTGVXAUSA-N 350.415 0.813 0 50 FCAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)N[C@H]3CNC[C@@H]3O)c2)cc1 1565512621 YREZYJGYSRAEHH-IRXDYDNUSA-N 360.435 0.820 0 50 FCAA O=C(c1cncc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1)N1CCCC1 1704297374 PADKHRYNHACZNE-CZUORRHYSA-N 354.414 0.542 0 50 FCAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C1(C(F)F)CCCC1)C2 1857528009 SOHQXEQDRMDFNU-SNVBAGLBSA-N 364.414 0.574 0 50 FCAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(-n2cnnn2)n[nH]1 1857680862 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372.385 0.791 0 50 FCAA Cc1ccn2c(C(=O)NCCc3nc(-c4ccccn4)no3)nnc2n1 426652828 FSUUSFZGDZEOHL-UHFFFAOYSA-N 350.342 0.850 0 50 FCAA CCN1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1=O 455405917 KVHDLJIQDDHJJB-HNNXBMFYSA-N 374.441 0.783 0 50 FCAA COCCc1nc(CNC(=O)N2CCC(O)(c3cccnc3)CC2)no1 534658219 VPRAYUBGCULLRD-UHFFFAOYSA-N 361.402 0.847 0 50 FCAA COc1cc(C(=O)O[C@H]2CCN(C)C2=O)cc(Cl)c1OCC(N)=O 734889507 FBUPYWLFCDETMQ-JTQLQIEISA-N 356.762 0.600 0 50 FCAA COc1ccc(C(=O)N2CCC[C@H]2C(=O)O[C@@H]2CCC(=O)NC2=O)cc1 798791622 VLCLZMWIMZFXDZ-UONOGXRCSA-N 360.366 0.648 0 50 FCAA COc1ccccc1CN(CC(=O)O)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952970109 CGEQDBVQHTUVPN-CQSZACIVSA-N 363.414 0.306 0 50 FCAA O=C(N[C@H]1CCN(c2cnccn2)C[C@@H]1O)c1scc2c1OCCO2 1565506854 ADXBNGTVCPRZLM-QWRGUYRKSA-N 362.411 0.679 0 50 FCAA COCCN(C)CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565525774 RTRBANRIEZWJDY-HOTGVXAUSA-N 365.430 0.016 0 50 FCAA O=C(Cn1ccc(O)nc1=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565529295 BVCVZUJFTBQILY-GJZGRUSLSA-N 359.382 0.439 0 50 FCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cncc(=O)[nH]3)C1)CC2 1704302938 TTWMJNNQJRDFCR-SFHVURJKSA-N 354.414 0.746 0 50 FCAA C[C@H]1CN(C(=O)c2cc(-n3cnnn3)n[nH]2)CCN1c1ccc(F)cn1 1857676744 LRJSYKAMRFZIGV-JTQLQIEISA-N 357.353 0.270 0 50 FCAA Cn1cc(-n2nc(-c3ccc(C(N)=O)cc3)nc2[C@H]2C[C@H](N)[C@@H](O)C2)cn1 1857714790 LTJBQNOZRWHUMI-QEJZJMRPSA-N 367.413 0.332 0 50 FCAA C=CC(=O)N1CCC(C(=O)NCc2nc3ccccc3c(=O)n2C)CC1 1875365252 REYSQXXEPQAYNV-UHFFFAOYSA-N 354.410 0.974 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@H]2CNc3ccccc3N(C)C2=O)CC1 1875370208 GDHROBCBRZNFBZ-HNNXBMFYSA-N 356.426 0.984 0 50 FCAA Cn1cc(I)c(CNCc2nnc3cccnn23)n1 2325801501 LKDNGTNIGINAHW-UHFFFAOYSA-N 369.170 0.752 0 50 FCAA CC(C)(C(=O)N1CCN(C(=O)c2cnn3cc[nH]c(=O)c23)CC1)C1CC1 2325829185 BKBITBUSRRRAGO-UHFFFAOYSA-N 357.414 0.743 0 50 FCAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)c2n1 2356135790 SYXMJASGENHJCP-CABCVRRESA-N 374.441 0.771 0 50 FCAA Cn1ncc2ncc(C(=O)N3CCC[C@@]34CCCN(CCO)C4=O)cc21 2356158684 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KXFWIUHMCJHOSJ-UHFFFAOYSA-N 367.413 0.903 0 50 FCAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)C2(C(N)=O)CC2)CC1 77488254 WGJBXSIFPGYYQS-UHFFFAOYSA-N 360.462 0.382 0 50 FCAA NCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91289569 TXBJWYJUKYBSFU-KRWDZBQOSA-N 373.501 0.531 0 50 FCAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)CN2C(=O)CNC2=O)n1 92020098 BUUJWYIWDJVNCY-MRVPVSSYSA-N 361.324 0.514 0 50 FCAA O=C(Cn1cnc2ccccc2c1=O)N1CCCO[C@H](Cn2cccn2)C1 92098639 BCTCWONCELHXNB-HNNXBMFYSA-N 367.409 0.911 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccc(C)s1 95511196 QTXLOPRJHPLVHZ-HIFRSBDPSA-N 353.488 0.976 0 50 FCAA COCc1noc(CN2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95517374 CXNYQJHZQZSDNX-KGLIPLIRSA-N 370.475 0.465 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc(CN3CCCC3)o2)C1 97527996 PXNXVHTZLOJGBN-CQSZACIVSA-N 371.459 0.266 0 50 FCAA CC(C)n1ncc2c(=O)n(CC(=O)N3CCN(C(=O)C4CC4)CC3)cnc21 126996852 AVDKAXNVEYEHFZ-UHFFFAOYSA-N 372.429 0.255 0 50 FCAA CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@@H](CN2CCCC2)C1 152558983 LXGRWGPDXWPLAH-LSDHHAIUSA-N 358.508 0.538 0 50 FCAA O=C(NC1CCOCC1)c1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1 215661669 WTDCVPZSYBANTP-OAHLLOKOSA-N 368.455 0.741 0 50 FCAA Cc1nonc1CC(=O)N1CC[C@H](CNC(=O)C2CCCC2)[C@@H](O)C1 216975762 INIJSHYFPWEPLM-HIFRSBDPSA-N 350.419 0.436 0 50 FCAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2ccncc2O)cc1 223455629 TXRYHHNWUWXZMZ-GDBMZVCRSA-N 357.366 0.852 0 50 FCAA O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244734704 NKJOWTVRRJOHIL-UVBSCNOISA-N 371.393 0.169 0 50 FCAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N1CCN2C(=O)NC[C@H]2C1 246703995 ZMFXKDSNIKHRBT-ROUUACIJSA-N 371.485 0.970 0 50 FCAA Cn1c(O)ncc(CC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1=O 253535322 KOHBYHDCJUSSBC-BPUTZDHNSA-N 357.410 0.527 0 50 FCAA CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)n1 276647979 YAPCWLGWGKOPNY-HIFRSBDPSA-N 363.462 0.708 0 50 FCAA CC(=O)N1CCC[C@](O)(C(=O)NCc2ccc(Cn3cccn3)cc2)C1 285568685 VFJZXAYHHGLWAN-LJQANCHMSA-N 356.426 0.921 0 50 FCAA CCn1cc([C@H]2C[S@](=O)CCN2CC2(CS(C)(=O)=O)CC2)cn1 330190637 WJIGETDGAYLBPQ-JLCFBVMHSA-N 359.517 0.833 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cn1 330546700 ZGKIVQDWVBUDTG-NSHDSACASA-N 353.322 0.258 0 50 FCAA Cn1ccnc1SCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426370218 WMJXLGRAUCMISR-CHWSQXEVSA-N 367.500 0.720 0 50 FCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)Cc1nc2c(s1)CCCC2 666106682 XYCJSVNWJGGVFA-RYUDHWBXSA-N 373.500 0.975 0 50 FCAA CC(=O)N1C[C@@H](NS(=O)(=O)c2cnn(C)c2)CC[C@@H]1C(F)(F)F 886055006 FWABAXICIAPMSU-GXSJLCMTSA-N 354.354 0.640 0 50 FCAA CN1CCCN(c2cnn(CC(=O)N3C[C@H]4CCC[C@@H]3C4)c(=O)c2)CC1 1073244569 ALNNXVIAMLSHJI-JKSUJKDBSA-N 359.474 0.786 0 50 FCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ncccc2O)cc1 1565509710 PVBLCMFXLKPURF-ZFWWWQNUSA-N 357.366 0.852 0 50 FCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc4c3OCCO4)C[C@@H]12 1857687135 OBXVHLONGYKFJA-GUTXKFCHSA-N 366.439 0.257 0 50 FCAA C[C@H](C(=O)N1CC[C@](C)(CNC(=O)Cc2cc[nH]n2)C1)c1cnn(C)c1 1875360398 HIDWAXXXCAPNOC-SCLBCKFNSA-N 358.446 0.844 0 50 FCAA Cn1cnc2cnc(N3CCCN(S(=O)(=O)N4CCCC4)CC3)nc21 2100482431 ZCRAKQLVJOYDJU-UHFFFAOYSA-N 365.463 0.216 0 50 FCAA CN1CCN(C(=O)c2cccc3ncsc23)[C@H]2CS(=O)(=O)C[C@H]21 2356167784 BQMLFQPYJWYDRQ-OLZOCXBDSA-N 351.453 0.850 0 50 FCAA CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O 3995486 UYDRRQPGDSIMNU-UHFFFAOYSA-N 350.356 0.737 0 50 FCAA aggregator,in-vivo C[C@@H]1C(c2ccccc2)=NN(CCO)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4593515 STJNAIAVQZCCIQ-LLVKDONJSA-N 368.397 0.211 0 50 FCAA O=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 15067261 BHBZGRDFHACUME-HNNXBMFYSA-N 350.463 0.947 0 50 FCAA CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 41319057 HQRNFMNDASMCDL-UHFFFAOYSA-N 366.487 0.010 0 50 FCAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Cn2cc(C(=O)O)nn2)C1 65383216 PQUKOTQADCZSJR-NSHDSACASA-N 369.403 0.682 0 50 FCAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3cc(N)ncn3)CC2)C1 71753267 VPLUHCRJINUSLO-AWEZNQCLSA-N 362.478 0.502 0 50 FCAA CC(=O)N[C@H]1[C@@H](O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O 77269518 OPEPHRZBCPGJGP-RGGMIXCSSA-N 351.355 0.254 0 50 FCAA in-vitro C[C@@H](O)[C@H](N)C(=O)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 77355767 QVUUGKLHVJQRND-ZBFHGGJFSA-N 361.442 0.751 0 50 FCAA O=C1C[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)C2(CCCCC2)O1 82161950 FOQQSNXFGKJFEB-HNNXBMFYSA-N 361.446 0.688 0 50 FCAA CCC[C@H]1CN(Cc2nc(C)no2)C[C@@H]1NC(=O)CCS(C)(=O)=O 91644755 KEPMOQVJNUHCAV-STQMWFEESA-N 358.464 0.529 0 50 FCAA CCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(CCOC)C3=O)C2)cn1 95364036 ZXVWDJWCLCDGDJ-INIZCTEOSA-N 370.475 0.553 0 50 FCAA COCCN1CCC[C@]2(CCN(S(=O)(=O)c3cnn(C)c3)C2)C1=O 95374632 JLHGNJWWJKPDQG-OAHLLOKOSA-N 356.448 0.070 0 50 FCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCCCN2)CC1 167446530 RANCTUCFDANWJG-CQSZACIVSA-N 366.487 0.385 0 50 FCAA Cc1nc(CN2CCN(C(=O)CC[C@H](C)N3CCOCC3)CC2)no1 244678636 IHKKOTXNAVPKPQ-AWEZNQCLSA-N 351.451 0.523 0 50 FCAA CNS(=O)(=O)NC1CCN([C@@H](C(=O)OC)c2ccccc2F)CC1 252485739 HCNIWKDKFLYWIO-CQSZACIVSA-N 359.423 0.558 0 50 FCAA Cn1c(CO)nnc1C1CCN(Cc2cc(=O)n3cccc(O)c3n2)CC1 252503730 VGIDCBFHLVHDBT-UHFFFAOYSA-N 370.413 0.401 0 50 FCAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H](C(=O)O)C3)C2=O)cc1 269189789 NOVILOMNRPZUNV-SGTLLEGYSA-N 359.382 0.695 0 50 FCAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCN([C@@H]3CCNC3)CC2)c1C 290002130 RUNBDSHUUIFVSE-OAHLLOKOSA-N 365.499 0.827 0 50 FCAA Cc1c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)oc2ccc(F)cc12 298765857 BBAGCILVCCGNAW-UHFFFAOYSA-N 372.360 0.851 0 50 FCAA CCc1ncc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cn1 299801538 ZESVINIWZMRCJZ-UHFFFAOYSA-N 353.448 0.137 0 50 FCAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cnn(C(C)(C)C)c2)cn1 328627537 MVSSIGKUBWEZBK-CQSZACIVSA-N 365.459 0.984 0 50 FCAA COc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1O 332470800 URARZVQTIBNFKZ-GFCCVEGCSA-N 354.428 0.346 0 50 FCAA NS(=O)(=O)C[C@@H]1CCCN(C(=O)CN2CCc3ccccc3C2=O)C1 332613617 QMUJBINEHLWKIO-CYBMUJFWSA-N 365.455 0.212 0 50 FCAA CC(C)C(=O)N1CCn2nc(CNC(=O)COC[C@@H]3CCCO3)cc2C1 426471337 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OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@H]1O 4521284 LINMATFDVHBYOS-MBJXGIAVSA-N 374.187 0.109 0 50 FCAA in-vitro Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)cc1 14733167 ZTRCQYRBXXYEFM-GXTWGEPZSA-N 351.428 0.057 0 50 FCAA CS(=O)(=O)N1CCCN(C(=O)NCCc2nc3ccccc3[nH]2)CC1 46919207 JTIFELAPVMCBMW-UHFFFAOYSA-N 365.459 0.782 0 50 FCAA CC(=O)N1CCC(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)CC1 48267909 SAZMYLNLXPWLTA-UHFFFAOYSA-N 363.462 0.928 0 50 FCAA COc1ccccc1-c1ncc(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)s1 65385456 RBPSGDSCFDRWPF-AWEZNQCLSA-N 372.450 0.961 0 50 FCAA O=C([C@@H]1COCCO1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67726634 KBTLEZPXTFOEOK-INIZCTEOSA-N 372.425 0.757 0 50 FCAA O=C(O)c1c(S(=O)(=O)NCCn2cccn2)sc2c1CCNC2 67739680 HCDFGWLJRFPRAY-UHFFFAOYSA-N 356.429 0.267 0 50 FCAA CC(C)[C@@H](NC(=O)Cn1nc2ccccc2n1)c1nnc2n1CCNCC2 67878606 VFQMKCUXUUTBFN-QGZVFWFLSA-N 368.445 0.682 0 50 FCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3(N)CCC3)CC2)C1 71714548 MKDZLNLYNKXRGJ-OAHLLOKOSA-N 366.506 0.333 0 50 FCAA O=C(O)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CCN1 71761418 CTCZIVYJZULFJR-SNVBAGLBSA-N 373.456 0.031 0 50 FCAA Cc1ocnc1C(=O)N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72406728 JYCGKVALKWVJRH-OLZOCXBDSA-N 367.427 0.233 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2ncc[nH]2)CC1 77356179 VQLVRPHZFPKQQP-UHFFFAOYSA-N 359.478 0.875 0 50 FCAA Cc1nn(CC(=O)NCc2cccnc2)c(=O)n1-c1ccc2c(c1)OCO2 77524279 FYNJZCNGHGPFDB-UHFFFAOYSA-N 367.365 0.783 0 50 FCAA COC(=O)N1CCN(Cc2cc(CC(C)C)[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 77541217 NZICLZQXYYUVSW-LSDHHAIUSA-N 370.475 0.658 0 50 FCAA O=C1C[C@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CN1Cc1ccccn1 82980550 YKGOIBCCJJPRSS-AWEZNQCLSA-N 354.414 0.954 0 50 FCAA Cc1cn(CC(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)c(=O)[nH]c1=O 91770028 GAYOOJBPXMYDOO-GOSISDBHSA-N 362.430 0.095 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91997278 WGGCOLCZFUCZHP-IBGZPJMESA-N 374.441 0.247 0 50 FCAA COCC(=O)N1CCC(C(=O)N2CCN(Cc3ccccn3)CC2)CC1 95379978 CCNYDGRJSGVLNM-UHFFFAOYSA-N 360.458 0.611 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2F)CN1Cc1ncc[nH]1 96148752 KPUGSQDLJPBXLC-HOCLYGCPSA-N 373.432 0.987 0 50 FCAA CN(C(=O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)c1ccccc1 169772605 ZQOKKDIEQDVVGD-UHFFFAOYSA-N 365.411 0.149 0 50 FCAA Cn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)ccc1=O 216705326 VENQXMWQTWBDKH-CVEARBPZSA-N 353.426 0.912 0 50 FCAA Cn1cc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)c(=O)[nH]c1=O 222996236 ABXHTTYROHTKBK-AWEZNQCLSA-N 354.370 0.227 0 50 FCAA O=C(CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 242338985 ZDZDLTSEUBDSJJ-MELADBBJSA-N 370.858 0.863 0 50 FCAA C[C@@H](C(=O)Nc1ccccn1)N1CCN(S(=O)(=O)N2CCCC2)CC1 244734924 NOBPCISCRXFZOV-AWEZNQCLSA-N 367.475 0.367 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3cccc4nonc34)C[C@H]2C1 247849624 QRIDSHBQKRMGDO-KSSFIOAISA-N 360.414 0.655 0 50 FCAA CCn1cc([C@H]2CN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CCO2)cn1 275250789 GPVSVJNBDGFJHQ-CQSZACIVSA-N 367.431 0.103 0 50 FCAA C[C@@H]1OCC[C@@]1(O)CNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 279648474 ZRDRHVJWTIQMMP-JFLLNLJESA-N 369.439 0.612 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)C(=O)N1 299766547 FLBSVRFZTITIFH-CQSZACIVSA-N 369.425 0.270 0 50 FCAA CCCc1oncc1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299790304 AZPVCCTWYVDGCS-UHFFFAOYSA-N 367.431 0.529 0 50 FCAA Cn1cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]2CC(=O)O)nn1 299793728 IGTYCDSNUXWFJR-CMPLNLGQSA-N 358.402 0.748 0 50 FCAA O=C(CCN1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1)Nc1ccsc1C(=O)O 299795155 LBDPUUQSYFAWAO-LFSVMHDDSA-N 354.428 0.839 0 50 FCAA Cc1ncsc1C(=O)N1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 328631727 KUMKVDXFLBXGKS-GFCCVEGCSA-N 363.443 0.523 0 50 FCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2nc(O)c3ccccc3n2)C1 426477927 BAMWUYHONPQVRH-SNVBAGLBSA-N 365.415 0.155 0 50 FCAA O=C(c1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1)N1CCOCC1 426642889 LSLACMIKBMYXIV-OAHLLOKOSA-N 359.382 0.436 0 50 FCAA CC(C)C1=NO[C@@H](C(=O)NCC2CCN(C(=O)c3n[nH]c(O)n3)CC2)C1 820723160 ORTHLASUHFLPRB-GFCCVEGCSA-N 364.406 0.280 0 50 FCAA CN1C(=O)CC[C@H](C(=O)N2CC(=O)N(CC3CC3)C2)[C@H]1c1nccn1C 886078088 LIYUJHCKJJGASW-BBRMVZONSA-N 359.430 0.368 0 50 FCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)COc3ccc(C)cc3C)C2)C1 888098375 JRNJLGADLHTABS-CQSZACIVSA-N 359.426 0.488 0 50 FCAA COCCN1CCC(CN(C)S(=O)(=O)N2CCC[C@H]2COC)CC1 952972817 LZIYCDGKJQOKLQ-INIZCTEOSA-N 363.524 0.632 0 50 FCAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(=O)n(C)c(=O)n1C)C2 1073282699 HJIVYFVGQITENN-KGLIPLIRSA-N 374.441 0.113 0 50 FCAA O=C(Cn1cnc2ccccc2c1=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529155608 WBKMPWMGKXBQKN-CRAIPNDOSA-N 368.437 0.718 0 50 FCAA O[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1Cc1cnccn1 1529167886 SEXOYJHEHOAQGV-NVXWUHKLSA-N 356.430 0.139 0 50 FCAA CN(CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1)S(C)(=O)=O 1565528015 WIJQEGQWGPOQCX-STQMWFEESA-N 357.432 0.016 0 50 FCAA Cc1nc([C@H]2CN(C)CC23CN(c2c(C)c(C)nc4ncnn24)C3)n[nH]1 1775957553 ANDFFUVMBJVCQL-CYBMUJFWSA-N 353.434 0.703 0 50 FCAA O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2CC1 1857707802 KUGBXYJZUILWOI-NSHDSACASA-N 352.460 0.832 0 50 FCAA CN(C)c1nc(O)c2c(n1)CCN(C(=O)[C@H]1CCc3ncnn3C1)CC2 1857739956 ATPBELKQYJKOMD-NSHDSACASA-N 357.418 0.030 0 50 FCAA O=C(NC[C@H]1CCCN(C(=O)c2n[nH]c(O)n2)C1)C1CCSCC1 1875332308 OOBXNZLPEASQHF-SNVBAGLBSA-N 353.448 0.622 0 50 FCAA COC(=O)c1nccc(N2CC[C@H]([C@H](C)NC(=O)c3[nH]nnc3C)C2)n1 1875339211 DSLHVXHLIWYNFU-ONGXEEELSA-N 359.390 0.335 0 50 FCAA COc1ccc(CNC(=O)c2cn3c(n2)CCN(CC(=O)O)CC3)cc1 1940198378 LCKLNMSEXLFGBL-UHFFFAOYSA-N 358.398 0.764 0 50 FCAA CC(C)n1ccc(S(=O)(=O)NC(=O)[C@H]2CNC(=O)CC23CCC3)n1 2325823235 LDPLDGOYJBSEKW-LLVKDONJSA-N 354.432 0.575 0 50 FCAA O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H](CN2CCOCC2)C1 23505484 JTWICVQMINOBSZ-INIZCTEOSA-N 370.453 0.967 0 50 FCAA CN1CCC2(CC1)CN(C(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)CCN2C 67771230 LLNFKKKMXMIRTO-ZWKOTPCHSA-N 370.497 0.755 0 50 FCAA O=C(c1c[nH]c(=O)cn1)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 72145907 HYRYGLACIDXIOW-UHFFFAOYSA-N 350.338 0.114 0 50 FCAA O=C(NCCc1cc(N2CCCC2)ncn1)[C@@H]1CCCCn2nnnc21 72419000 SOIQWFZXZARTBD-CQSZACIVSA-N 356.434 0.690 0 50 FCAA CN(C)[C@H]1CCN(CCN2CC3(CCN(c4ncccn4)CC3)OC2=O)C1 77486336 GAEKEHBKVKIOAN-INIZCTEOSA-N 374.489 0.904 0 50 FCAA CCCN1CCN(C(=O)Cn2nc(C)c(C)c2C)[C@H]2CS(=O)(=O)C[C@H]21 77564709 YDNKNXPTRHQNTH-CVEARBPZSA-N 368.503 0.528 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1c1cncc(C(=O)N2CCCCC2)n1 91663762 HXGTUTWDUJPXLV-HIFRSBDPSA-N 360.462 0.533 0 50 FCAA CN1CC(=O)N2CCN(Cc3cc(=O)c4cc(F)ccc4[nH]3)C[C@H]2C1=O 91943334 KRJOVLSXVLAXRQ-HNNXBMFYSA-N 358.373 0.152 0 50 FCAA CN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95357610 XJSVGTUPVCZNIH-UHFFFAOYSA-N 364.427 0.703 0 50 FCAA O=C(c1cn2cc(Cl)ccc2n1)N1CCc2c([nH]n(CCO)c2=O)C1 97217350 UOZZZFZDJKRHGC-UHFFFAOYSA-N 361.789 0.668 0 50 FCAA NC(=O)NC(=O)c1ccsc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 138819945 DVGHNGLKXOBWHA-FNCVBFRFSA-N 353.356 0.373 0 50 FCAA Cc1ccc(OCC(=O)N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)cc1 216343411 RIONXFHSFNELTM-RDJZCZTQSA-N 370.409 0.556 0 50 FCAA C=CCN1C[C@]2(C(=O)O)CN(C(=O)COc3cccc(C)c3)C[C@@H]2C1=O 216969015 RCQJPJFTLZGPTI-BEFAXECRSA-N 358.394 0.931 0 50 FCAA CCOC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NS(C)(=O)=O 225485534 YARIXBNBFFQKMF-JSGCOSHPSA-N 356.444 0.523 0 50 FCAA CCn1cc(Cn2cc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cn2)cn1 226393590 ZRMDTSPHWAHCDG-KBXIAJHMSA-N 359.386 0.965 0 50 FCAA NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 237944347 HZVCUQSSLPOAQY-KRWDZBQOSA-N 365.437 0.544 0 50 FCAA COCCN1CCC(CN(C)Cc2nnc([C@H]3C[C@H](N)C3)n2C)CC1 244899880 ZSDVXKLXRFZXMA-WKILWMFISA-N 350.511 0.810 0 50 FCAA Cc1ccc(CN2CCN(Cc3c[nH]cn3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 248056519 CEKYWUYUZAMHPY-CVEARBPZSA-N 350.444 0.795 0 50 FCAA Cc1ccc(-n2nc(C)cc2NS(=O)(=O)[C@@H](C)C(=O)N(C)C)nn1 278532410 IPHDBQOGWXALDR-NSHDSACASA-N 352.420 0.498 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)Cc3ccccc3C(F)(F)F)C[C@H]12 299794979 KCHVWSICVNPLJY-GFCCVEGCSA-N 355.316 0.417 0 50 FCAA Cc1ccccc1CN1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 426410718 ORJGPYXDMVGCJP-HNNXBMFYSA-N 353.488 0.872 0 50 FCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 1565507003 FCTRCYJKSXOTRK-RDJZCZTQSA-N 374.441 0.944 0 50 FCAA Cn1cnnc1SCC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565525325 FBJQOGHUERIATK-RYUDHWBXSA-N 369.472 0.854 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccccc2N2CCCC2)[C@@H](O)C1 1565528835 REVAYTPPHKLCNV-WMZOPIPTSA-N 374.485 0.540 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 1616076107 ZCBADFTWHNVZRC-OCCSQVGLSA-N 360.863 0.593 0 50 FCAA CN(C)S(=O)(=O)N1C[C@H]2CN(CCc3ccccc3)C[C@@]2(CO)C1 1772813693 PBBIKRKRFCJHJS-SJORKVTESA-N 353.488 0.262 0 50 FCAA N[C@H](CNC(=O)c1cc2n(n1)CC1(CCNCC1)OC2)c1ccccc1 1775962180 XWJGEJQXILWOIF-MRXNPFEDSA-N 355.442 0.965 0 50 FCAA O=C(c1c[nH]c2c(F)cccc2c1=O)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857690835 NVOREBLTCXVPOR-IFXJQAMLSA-N 373.384 0.770 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cncn3C)C[C@H]2CO1 1857732032 YZGVATONABWWRS-ILXRZTDVSA-N 358.446 0.776 0 50 FCAA Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)ccc1-n1cnnn1 1875253787 OOJOARPBDPXBHI-BETUJISGSA-N 351.432 0.800 0 50 FCAA Cn1c(N2CC[C@@H](NCc3cccc4c3NCCC4)C2)cc(=O)n(C)c1=O 1875397868 QZVVPMRFIAMNTO-MRXNPFEDSA-N 369.469 0.811 0 50 FCAA N=c1[nH]c(CCC(=O)N[C@H]2C[C@H](C(=O)N3CCCCC3)C[C@@H]2O)cs1 2100555319 QKDFNIUYCPWYCI-UBHSHLNASA-N 366.487 0.756 0 50 FCAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)c(Cl)c2)n(C)c1=O 851799 RWSDOJHJGTYANF-UHFFFAOYSA-N 365.752 0.865 0 50 FCAA biogenic CCCCn1c(C)cn2c3c(=O)n(CC(=O)OCC)c(=O)n(C)c3nc12 4251004 SDDFBNPPEKSXJX-UHFFFAOYSA-N 361.402 0.821 0 50 FCAA CCn1cnnc1CCNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2 71639344 NRGWRUMRBRKWMJ-UHFFFAOYSA-N 358.450 0.713 0 50 FCAA COc1ccccc1CNC(=O)CN1CC2(CCNCC2)C[C@H]1C(=O)O 72146094 ALUMARRHGLOXJS-HNNXBMFYSA-N 361.442 0.840 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 72149239 KBTXRKUSAYFTSC-IBGZPJMESA-N 360.458 0.986 0 50 FCAA Nc1cc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)nc(N)n1 72430882 VCAQCXRPSNDIJB-NSHDSACASA-N 360.418 0.323 0 50 FCAA Cn1ncc(N2CCC(CNC(=O)CCCn3cccn3)CC2)cc1=O 77375107 CVNFCZZJABPLOR-UHFFFAOYSA-N 358.446 0.790 0 50 FCAA O=C1CC[C@]2(CCCN(C(=O)CCn3ccccc3=O)C2)CN1CCO 77385720 VZQWVSWDVBTAMW-IBGZPJMESA-N 361.442 0.462 0 50 FCAA O=C1NCC2(CCN(C(=O)c3cn(CC[C@@H]4CCCCN4)nn3)CC2)O1 77386593 BXZMSELNDHKLMS-ZDUSSCGKSA-N 362.434 0.525 0 50 FCAA CNc1ccnc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)n1 77518547 RPSVOQDLSWKLSU-UHFFFAOYSA-N 360.466 0.455 0 50 FCAA O=C(CCCn1cnc2ccccc2c1=O)NCc1cc2n(n1)CCNC2 82121486 KSQOHPOVKAXMQF-UHFFFAOYSA-N 366.425 0.793 0 50 FCAA O=C(c1c[nH]c(=O)cn1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91476520 NOCIMNJHDZALTP-GOSISDBHSA-N 360.414 0.404 0 50 FCAA O=C(CN1CCOC1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91876446 CNGAWOYAGKYJDC-DZGCQCFKSA-N 358.398 0.483 0 50 FCAA CN(C)Cc1ccc(N2CCN(C(=O)COC[C@@H]3CCOC3)CC2)nc1 117806005 BFXHCPLOKHBJKJ-QGZVFWFLSA-N 362.474 0.845 0 50 FCAA COC(=O)C1=CN(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)N=C1C 169771874 SXWQKBRKEUSPML-LLVKDONJSA-N 365.411 0.942 0 50 FCAA CNC(=O)Cn1cnc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)n1 172671144 ONZDCYXEANABBR-UHFFFAOYSA-N 356.390 0.910 0 50 FCAA CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 215277752 JZNKCJMKHIVMBQ-HNNXBMFYSA-N 365.455 0.822 0 50 FCAA N[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCC3CCOCC3)c2)C1 215528160 YGOLHFUHHCLYGH-OAHLLOKOSA-N 367.471 0.565 0 50 FCAA Cc1cccc(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CCN)C(=O)[C@@H]24)O3)c1C 216012288 UNBYFNTXFUWVSE-LJCCNALRSA-N 357.454 0.884 0 50 FCAA CCn1c(C)cc(C)c(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1=O 216060250 GPMDBJGLLAIPPM-HNNXBMFYSA-N 361.442 0.948 0 50 FCAA Cc1n[nH]c(C2CCN(C(=O)[C@@H]3CNC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 248007623 FHFPFGNLBXDPFZ-HOTGVXAUSA-N 374.489 0.667 0 50 FCAA CC[C@H](C)[C@H](CO)NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O 252481592 COXKNHMYOILISR-AAEUAGOBSA-N 363.414 0.937 0 50 FCAA C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1)[C@H]1CCCNC1 262519640 XDLRMJYEMBLYNZ-KBPBESRZSA-N 368.503 0.888 0 50 FCAA Cn1cc(N2CCC[C@H](N3CCC[C@@H](c4cc(C(N)=O)[nH]n4)C3)C2=O)cn1 266216996 RBUYZHLZBFWERT-WBMJQRKESA-N 371.445 0.617 0 50 FCAA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1sccc1-n1cnnn1 268391067 PVALEDXBDXCAOO-VHSXEESVSA-N 370.460 0.172 0 50 FCAA CC1(Cn2cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)nn2)COC1 273461149 GOAROVSOCJFJCD-UHFFFAOYSA-N 364.427 0.648 0 50 FCAA CN(C)C(=O)[C@@H](NC[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1 275593733 PWYOFWIUKQPKDD-GUYCJALGSA-N 355.442 0.964 0 50 FCAA CCCN(CCC)S(=O)(=O)N1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 277855046 NTJOCPZCIHTHPW-UHFFFAOYSA-N 371.507 0.772 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)NCCN3CCNC3=O)CCC2)cc1 299755943 APVFGMNJSYFYKS-UHFFFAOYSA-N 365.455 0.653 0 50 FCAA O=C1CC[C@H](C(=O)NCc2nncn2CCc2ccccc2)NC(=O)N1 299785026 JDZPPGQKVTWJRA-CYBMUJFWSA-N 356.386 0.125 0 50 FCAA C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)O1 328629293 ICTXYKOMBIVAME-YUELXQCFSA-N 363.462 0.848 0 50 FCAA Cc1cn(C)c(CC(=O)N2C[C@H](O)C[C@@H]2C)c1C(=O)N1C[C@H](O)C[C@@H]1C 408371438 YNESWJVBSMTFLL-BYNSBNAKSA-N 363.458 0.453 0 50 FCAA Cc1nccnc1N1CCN(c2cnn(C)c(=O)c2Br)CC1 408424550 WBXVHGJILPQJAA-UHFFFAOYSA-N 365.235 0.968 0 50 FCAA CS(=O)(=O)N1CCCN(C(=O)NCc2cn3c(n2)SCC3)CC1 426689931 QXZWVQHLOCOAAS-UHFFFAOYSA-N 359.477 0.166 0 50 FCAA COc1cccc(F)c1C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096696 JNWAQLBOVJEOJL-QGZVFWFLSA-N 352.362 0.836 0 50 FCAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc4cc(F)ccc4o3)C2)C1 888098251 JAVNHRRHPNQRQM-NSHDSACASA-N 359.357 0.991 0 50 FCAA CN(C(=O)c1c[nH]nc1C1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 952822565 CZKSGJJBZGVAFO-LBPRGKRZSA-N 356.448 0.410 0 50 FCAA CN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)CCN2CCCCC2=O)C1 952860303 LOYMKIDWVWCQBV-AWEZNQCLSA-N 374.507 0.024 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(C3CCCC3)C(=O)C2)C1 1506407046 NRBYNGNROYBZSX-AWEZNQCLSA-N 359.492 0.676 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2OC)cc1 1565526764 DGUWGZKDGDVLCQ-GJZGRUSLSA-N 356.444 0.909 0 50 FCAA C[C@@]1(O)CCOC2(CCN(C(=O)CCN3CCCCC3=O)CC2)[C@H]1O 1704344710 WVAYCFPFUBDNRU-DLBZAZTESA-N 354.447 0.282 0 50 FCAA C[C@@]1(NC(=O)CN2CCc3ccccc3C2)CCOC2(CCNCC2)[C@H]1O 1772703180 CUDKYFQCYMAZCZ-VQTJNVASSA-N 373.497 0.823 0 50 FCAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3c[nH]c(=O)cn3)C1)CC2 1857698846 LBKOCQLUEPHAMW-GOSISDBHSA-N 370.413 0.452 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3nccn3C)C[C@H]2CO1 1857741652 SIKOYJRNBCVERR-ILXRZTDVSA-N 358.446 0.776 0 50 FCAA CC1(C)C[C@@H](S(C)(=O)=O)CN1C(=O)c1cn(CC2CC(N)C2)nn1 2325840056 NMJITDNPRDSPSC-HTAVTVPLSA-N 355.464 0.053 0 50 FCAA O=C(CCCn1cncn1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356141663 KNZIOUQMOLNKLN-VQIMIIECSA-N 372.425 0.965 0 50 FCAA O=C(c1cccc(F)c1F)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14543775 JZZLJNIUEFSXCP-NEPJUHHUSA-N 367.377 0.533 0 50 FCAA O=C1CC[C@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)NC(=O)N1 19664523 LJUUWDJDOBHITF-GFCCVEGCSA-N 373.438 0.933 0 50 FCAA CCN1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1 20052140 WMNMJMKFLNKUOP-UHFFFAOYSA-N 357.451 0.751 0 50 FCAA COC(=O)CN1CCN(CC(=O)Nc2cc(C)ccc2F)[C@@H](C)C1=O 65421526 RCEYVZVSCRJZRN-LBPRGKRZSA-N 351.378 0.778 0 50 FCAA O=C(CCc1cn2ccccc2n1)N1CCN(CCn2cncn2)CC1 65526475 JNQRSQHRQMUGAF-UHFFFAOYSA-N 353.430 0.703 0 50 FCAA Cc1csc2ncnc(N3CCn4nc(C(=O)NCCO)cc4C3)c12 65536019 NVMWGFXHPSPCPX-UHFFFAOYSA-N 358.427 0.939 0 50 FCAA Cc1cnc(C(=O)N(C)CCn2cc(C(=O)N3CCCCC3)nn2)cn1 67447086 YHSCFABCZPEOII-UHFFFAOYSA-N 357.418 0.775 0 50 FCAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CC(O)C1 71765509 OUINYSPZVWCNFW-QGZVFWFLSA-N 358.486 0.961 0 50 FCAA Cn1ccnc1-c1ccccc1C(=O)N1CCc2c(nc(N)[nH]c2=O)C1 72152342 UMXNANNDIYOOMA-UHFFFAOYSA-N 350.382 0.951 0 50 FCAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3NCCc4[nH]cnc43)CC2)c1 72480541 QIBHWJIXBGRGGA-QGZVFWFLSA-N 369.425 0.590 0 50 FCAA CC(C)n1cnnc1CN1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 95498896 KKEXFZFGPAGUAL-UONOGXRCSA-N 367.475 0.079 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)C2 95511328 NXTNUMBJQZBIEO-ZDUSSCGKSA-N 367.409 0.375 0 50 FCAA CC(=O)OC[C@@H]1O[C@H](F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 101811121 JJXATNWYELAACC-MRTXSQPYSA-N 350.295 0.039 0 50 FCAA CC(=O)OC[C@@H]1O[C@H](F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 105806119 JJXATNWYELAACC-QNSTZXKLSA-N 350.295 0.039 0 50 FCAA CCCCN(C(=O)Cn1cnc2c(c1=O)CCC2)[C@@H]1CCS(=O)(=O)C1 184076671 MQQVELBPCMKRKY-CYBMUJFWSA-N 367.471 0.548 0 50 FCAA COc1cccc([C@@H](NC(=O)C(=O)N2CCC[C@@H](O)C2)c2nccn2C)c1 239667430 BPZHTKYFNQLUOG-GDBMZVCRSA-N 372.425 0.618 0 50 FCAA CCN1C(=O)[C@@H]2[C@H](c3c(C)cc(C)cc3C)N[C@](CO)(C(=O)OC)[C@@H]2C1=O 249685253 FQGXCBMETCIRAU-ULMVMLMRSA-N 374.437 0.781 0 50 FCAA O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCC(O)(C(=O)O)CC2)C1 262555654 YCMCGZJHNOQKMM-MRXNPFEDSA-N 374.437 0.906 0 50 FCAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 262873309 MOMKBKXPWGZPJI-CQSZACIVSA-N 358.398 0.730 0 50 FCAA O=C(Cn1cc(C(=O)O)nn1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 263363467 VGYDRBUJAYNXRY-UHFFFAOYSA-N 372.320 0.607 0 50 FCAA C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 264913935 IEOSTOATPWQMQS-MFKMUULPSA-N 373.862 0.841 0 50 FCAA C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 282577742 PJDWAHBYERHNFM-BXUZGUMPSA-N 351.428 0.759 0 50 FCAA CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328631944 KZPJSCRTATZPAP-ZFWWWQNUSA-N 350.446 0.861 0 50 FCAA Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(N)n1 737440778 OXGJRGYKFJXCJJ-UHFFFAOYSA-N 356.434 0.320 0 50 FCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)Cc1ccc2c(c1)CCC2 818366675 LRDKHGAKUXHBTC-MRXNPFEDSA-N 353.426 0.775 0 50 FCAA CN1CCC(CNS(=O)(=O)N2CCOCC2)(c2ccccc2)CC1 823759409 DYUJTPSOTLHVAB-UHFFFAOYSA-N 353.488 0.817 0 50 FCAA Cc1nonc1CC(=O)N1CCC[C@H](CNC(=O)c2cc(C)n(C)n2)C1 952985996 VQVMRNFJLVBBOE-CYBMUJFWSA-N 360.418 0.631 0 50 FCAA CCN1C[C@H](C(=O)NCC2CCN(C(=O)CCSC)CC2)CC1=O 952989782 XEALTFYDGKHYDL-CQSZACIVSA-N 355.504 0.963 0 50 FCAA Cc1nc(N)ncc1C(=O)N1CCCN(C(=O)[C@@H]2CCCCN2C)CC1 1506402296 MYKPEOQNKROHEC-HNNXBMFYSA-N 360.462 0.526 0 50 FCAA 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YEORAYAOMXIXAE-MRXNPFEDSA-N 361.442 0.890 0 50 FCAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NC3=NCCS3)c2)C1=O 12003149 KQOQLDATYLMTJU-VIFPVBQESA-N 353.425 0.832 0 50 FCAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCN2CCN(C)C(=O)[C@H]2C1 65387481 PZZKHRZXQZTTHJ-MRXNPFEDSA-N 372.473 0.374 0 50 FCAA Cc1cccc2nc(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)cn12 67654265 OUKLTCQMZULSLP-LBPRGKRZSA-N 352.416 0.033 0 50 FCAA Cc1ccc2[nH]c(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cc2c1 67947063 WKEVANWHBFRWRJ-CYBMUJFWSA-N 351.428 0.867 0 50 FCAA COc1cc(OC)c(CN2CCN[C@@H](C(=O)NC3CC3)C2)c(C(=O)O)c1 72163484 MVWRTGKDGWPAAZ-OAHLLOKOSA-N 363.414 0.454 0 50 FCAA O=C1NC(=O)[C@H](CC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)N1 72438999 BNVDHGNYKBOVOG-INIZCTEOSA-N 356.426 0.286 0 50 FCAA O=S1(=O)C[C@@H]2[C@H](C1)N(CCOc1ccccc1)CCN2c1ncccn1 77301585 LZLFHXBKMGMUTQ-DLBZAZTESA-N 374.466 0.843 0 50 FCAA COC[C@@H](C)n1c(CCCC(=O)N2CCNC(=O)C2)nc2cccnc21 77378754 WHXYPWVQGTZEIE-CYBMUJFWSA-N 359.430 0.920 0 50 FCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(c1nccc(N)n1)CC2 91635447 MRJANXNWRCKWFK-UHFFFAOYSA-N 363.447 0.095 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)n[nH]1)CC2 91637040 GJBDYMLXXSPDQV-UHFFFAOYSA-N 372.429 0.604 0 50 FCAA COc1nc(C)c(C(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)s1 91665074 OMLHHNUBBUAGPY-MRXNPFEDSA-N 353.444 0.907 0 50 FCAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)CN2C(=O)CNC2=O)n1 92020095 BUUJWYIWDJVNCY-QMMMGPOBSA-N 361.324 0.514 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(Cc3cccc4cc[nH]c34)C[C@@]2(C(=O)O)C1 96139541 OLPSSRXZZGUKQV-RHSMWYFYSA-N 363.439 0.946 0 50 FCAA C[C@H](C(=O)N(C)C)N(C)S(=O)(=O)c1cccc(C(=O)NCCF)c1 215102213 MKIOGZAKZUVBRC-LLVKDONJSA-N 359.423 0.483 0 50 FCAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCc2cn[nH]c2)cc1 223784629 DHMPKZSOXIQGIO-HZPDHXFCSA-N 358.398 0.794 0 50 FCAA CC(=O)N[C@H]1C[C@@H](c2cc(N3CCC4(CC3)N=C(C)NC4=O)ncn2)C1 244894040 YYUGBOVHHMMRBY-OKILXGFUSA-N 356.430 0.746 0 50 FCAA Cc1cc(C)n(CCNC(=O)COc2cccc(-n3cnnn3)c2)c(=O)n1 252489885 KEHJUYKLUWMPGZ-UHFFFAOYSA-N 369.385 0.031 0 50 FCAA CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC(=O)O)c2ccccc2)C1 299741005 CSYSSXYYQULGEU-KBPBESRZSA-N 354.428 0.990 0 50 FCAA O=C1CC[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)N1 299764965 WNMMSVVCSNUKFA-CQSZACIVSA-N 363.389 0.978 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1O 299800055 ZJUMOGCPYATOIW-ZIAGYGMSSA-N 365.858 0.810 0 50 FCAA COc1ccc(CN(C[C@@H]2C[C@H](F)CN2CC(=N)O)S(C)(=O)=O)cn1 328605429 NOSQKQJGEYTQLC-STQMWFEESA-N 374.438 0.799 0 50 FCAA NC(=O)c1cn(C2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3)C2)nn1 378546100 VSWNQMWUAVTROU-HNNXBMFYSA-N 368.397 0.065 0 50 FCAA COCCN1CCC[C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 426374273 OGADLKXZWOYKMQ-INIZCTEOSA-N 362.478 0.667 0 50 FCAA O=C(NC[C@@]1(O)CCNC1)c1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1 426510043 HCVHDYHJNAEXCH-LJQANCHMSA-N 364.409 0.988 0 50 FCAA CN1CCC(CNC(=O)CN2C(=O)CN(C)C2=O)(c2ccccc2)CC1 823759551 RVVSAKNUSYXDNN-UHFFFAOYSA-N 358.442 0.660 0 50 FCAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)Cn3cccnc3=O)C2)ccn1 886084491 BIWFGQWTPVCCNV-MRXNPFEDSA-N 357.414 0.380 0 50 FCAA C=CC(=O)NCc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 1317978449 VNLJAXPQHMQNNG-UHFFFAOYSA-N 365.455 0.643 0 50 FCAA COc1ccc(OC)c([C@H](C(=O)O)N2CCc3c(c(C(N)=O)nn3C)C2)c1 1506397591 WRRPMLWHDAHDTL-MRXNPFEDSA-N 374.397 0.720 0 50 FCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)CN1CCOc2ccccc2C1 1565510200 YTVZDEGMZKFPNU-HOCLYGCPSA-N 364.398 0.256 0 50 FCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@@H]2O)no1 1565528688 VRZCXKQNGCEVKF-ZFWWWQNUSA-N 361.402 0.257 0 50 FCAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCCNC(=O)C2)[C@H]1c1ccccc1 1704278133 ADPZRTULDLYGSF-MSOLQXFVSA-N 359.426 0.712 0 50 FCAA CCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1704315409 CGOWEIYDJRNTPV-CABCVRRESA-N 371.441 0.977 0 50 FCAA O=C(CCc1ccc(O)nn1)N1CCCN(C(=O)C2CCOCC2)CC1 1772704604 JQOKTGGRKITWKS-UHFFFAOYSA-N 362.430 0.602 0 50 FCAA CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CC12CCOCC2 1800411223 IKMIGZCTNDVQLW-QGZVFWFLSA-N 372.469 0.753 0 50 FCAA CN(C)c1noc([C@H]2CCCN2C(=O)c2cc(S(N)(=O)=O)cn2C)n1 1875255711 JIGYDVGOJBIKFX-SNVBAGLBSA-N 368.419 0.099 0 50 FCAA COc1ccc2c(c1)CN(c1ncnc3c1ncn3C(CO)CO)CC2 1875269214 NBRJWOFJTLOIIJ-UHFFFAOYSA-N 355.398 0.923 0 50 FCAA CN(C)C(=O)CN1CCC[C@H](NC(=O)c2c(F)ccc3n[nH]cc23)C1=O 1875293441 QNEGHIOMAMSIAK-ZDUSSCGKSA-N 361.377 0.511 0 50 FCAA CCOc1cccnc1S(=O)(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1875312948 LASIIWFTYQQKJT-SNVBAGLBSA-N 366.399 0.860 0 50 FCAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(C2CC2)C1=O 2325768842 WDBVKQPMOVLIQC-ZIAGYGMSSA-N 357.476 0.749 0 50 FCAA O=C(Cc1cc[nH]n1)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 2325840474 BLXULEHEYKJMNI-HDJSIYSDSA-N 352.398 0.835 0 50 FCAA CCCN1CCC[C@@]2(CCCN2C(=O)Cc2cnc(O)n(C)c2=O)C1=O 2356148048 FBFYEGMAHFASQR-GOSISDBHSA-N 362.430 0.422 0 50 FCAA C[C@@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 631630 GPYLJSOXMBAIPW-LLVKDONJSA-N 360.439 0.955 0 50 FCAA biogenic CCc1nnc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)s1 4111892 OUZPHJGDLJTBGQ-UHFFFAOYSA-N 374.378 0.878 0 50 FCAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CNC(C)=O)CC1 12054995 VVYQEXHVCUNMJJ-KRWDZBQOSA-N 355.479 0.489 0 50 FCAA CCc1cc(CC)n(-c2nc3c(c(=O)n(CCOC)c(=O)n3C)n2CC)n1 12518902 JOPKNKFUEJDAOE-UHFFFAOYSA-N 374.445 0.874 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1c(Cl)cnn1C)CC2 65384028 SZCSQCXKXQWSNF-UHFFFAOYSA-N 350.810 0.464 0 50 FCAA CC(C)S(=O)(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 65404759 JWAYBKHFRHXBTP-UHFFFAOYSA-N 363.443 0.762 0 50 FCAA O=C([C@@H]1COCCO1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71764834 VEHKATSAENTVQP-INIZCTEOSA-N 372.425 0.741 0 50 FCAA CC(=O)OC[C@@H]1O[C@H](F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 72099121 JJXATNWYELAACC-VJTDZRGJSA-N 350.295 0.039 0 50 FCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H](Cc1c[nH]cn1)n1cccc1)C2 72152586 IMUCRYVGYGEKHX-MRXNPFEDSA-N 352.398 0.972 0 50 FCAA Cc1nc(C(C)C)ncc1C(=O)N1CCNC[C@H]1C(=O)N1CCOCC1 72158969 APXBHASFGQNANQ-HNNXBMFYSA-N 361.446 0.181 0 50 FCAA Nc1ccc(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)cn1 72422658 QERXMPAAJKQKAJ-CQSZACIVSA-N 372.425 0.982 0 50 FCAA O=C(Cn1ccnc1)N1CCc2ncnc(N3CCSCC3)c2CC1 72431100 ILWHTGMOSQKXTE-UHFFFAOYSA-N 358.471 0.854 0 50 FCAA O=C(c1ccon1)N1CCc2ncnc(N3CCC[C@H](CO)C3)c2CC1 72478908 HDMCROIKAUNPPZ-ZDUSSCGKSA-N 357.414 0.914 0 50 FCAA CNCCN1C(=O)CC[C@H]2CN(S(=O)(=O)c3cccnc3)CC[C@H]21 72481150 VJOXWRWBMAVNTK-DZGCQCFKSA-N 352.460 0.303 0 50 FCAA NCCn1cc(C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)nn1 77287496 ILLKSXKNPXWDAF-UHFFFAOYSA-N 364.400 0.909 0 50 FCAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)n(C)n1 77355222 QMAVPMVZBQJZOI-AWEZNQCLSA-N 372.473 0.969 0 50 FCAA CN(CCO)C[C@@H]1CN(C(=O)CN2CCc3ccccc3C2)C[C@@H]1CO 91645726 IVLZMSKVPJTUJQ-RTBURBONSA-N 361.486 0.036 0 50 FCAA O=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CCCO 91846461 PBHSFCKHIINEOO-UHFFFAOYSA-N 358.446 0.711 0 50 FCAA NC(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)n(Cc2ccccc2)n1 95364152 DXBNILOYCWMIRR-UHFFFAOYSA-N 371.422 0.669 0 50 FCAA Cc1cc(C(F)(F)F)nc(CCNC(=O)CCn2ccc(=O)[nH]c2=O)n1 215372524 CNDFOTOFBSYBKG-UHFFFAOYSA-N 371.319 0.403 0 50 FCAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)n1 219808367 SBKRNMZMIAZUDJ-KGLIPLIRSA-N 352.460 0.733 0 50 FCAA COC(=O)c1ccsc1N1CC[C@H](N2CC[C@@H](S(N)(=O)=O)C2)C1=O 229894935 BURNBBHOPJRJAJ-KOLCDFICSA-N 373.456 0.003 0 50 FCAA CSCC[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccco2)C1=O 252533173 GDAGUZXGQPUPAF-ZYHUDNBSSA-N 355.416 0.525 0 50 FCAA O=C(N[C@H]1CCCN(Cc2cccc(O)c2)C1)c1c[nH]nc1-n1cnnn1 299755722 CDCVYBDFAXVVOH-ZDUSSCGKSA-N 368.401 0.485 0 50 FCAA CCN(C(=O)[C@@H]1CCC(O)=NC1)C1CN(C(=O)[C@@H]2CCC(O)=NC2)C1 330096021 WQDYDSOCGOVIHR-VXGBXAGGSA-N 350.419 0.779 0 50 FCAA CC(=O)N1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H](O)C1 426434086 LJJBXNPTIJACHE-LJQANCHMSA-N 374.485 0.886 0 50 FCAA Cc1cccc(CN2CCN(C(=O)NC[C@H]3COCCN(C)C3)CC2=O)c1 584901874 WFICVZKTTMHUSI-GOSISDBHSA-N 374.485 0.927 0 50 FCAA NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)C1 952892402 HBLLCJVXFNQVDF-OCCSQVGLSA-N 358.446 0.799 0 50 FCAA COc1ccc(-n2nc(C(=O)N[C@@H]3CCCN(CC(N)=O)C3)cc2C)cc1 1319740351 FIFFQDRPTKGUMF-CQSZACIVSA-N 371.441 0.869 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc3ccn(C)c3c2)C[C@H]1O 1529090288 FYKSWJYZCBFTGP-DOTOQJQBSA-N 351.472 0.862 0 50 FCAA O=C1CO[C@H](C(=O)N2CCN(C3CCCC3)C(=O)C2)[C@@H](c2cccnc2)N1 1529168067 VDSYVZPHCPVNJU-MSOLQXFVSA-N 372.425 0.251 0 50 FCAA O=C(c1cccc(-n2cnnc2)c1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565509143 AADHVBWEWXXDNT-HOTGVXAUSA-N 365.397 0.745 0 50 FCAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCc2ncnn2C1 1857714465 VHQSJTIPBSQSPU-OAHLLOKOSA-N 364.409 0.881 0 50 FCAA O=C(c1ccnc(-n2cnnc2)c1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857717400 NYUWNLGYADKUFO-HZPDHXFCSA-N 354.414 0.598 0 50 FCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C1 1875371683 ITGMLYRWGNHJDI-LSDHHAIUSA-N 373.457 0.518 0 50 FCAA Cc1nc(C(=O)N2CCn3cnnc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875400490 BJHWRLZIEAPSFK-CQSZACIVSA-N 370.461 0.481 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@H]1O)c1cccc(O)c1 2100556901 VABDVGOFKZGEFA-USXIJHARSA-N 372.425 0.665 0 50 FCAA C[C@H]1C[C@H]1c1ccc(C(=O)N2CC(C)(NC(=O)c3cn(CCO)nn3)C2)o1 2325830068 ZQJYAADXLRLPOS-NWDGAFQWSA-N 373.413 0.631 0 50 FCAA CN(C)C(=O)c1cncc(N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)n1 2356141498 DXSOAPOXSAJADC-SFHVURJKSA-N 353.430 0.865 0 50 FCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2COc3ccccc3O2)cc1 806647 HWQKURMHCFAMKL-MRXNPFEDSA-N 362.407 0.833 0 50 FCAA COc1cc(/C=C(\NC(C)=O)C(=O)N2CCOCC2)ccc1OC(C)=O 12379341 VJAKOPSCNPYDNE-GDNBJRDFSA-N 362.382 0.956 0 50 FCAA O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3ccc(F)c(F)c3)CCN12 14747181 VPNIZDNZGFYTHK-KGLIPLIRSA-N 353.394 0.893 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCC3)o1 20998565 MBCOTEVPVDVBRC-QGZVFWFLSA-N 371.441 0.807 0 50 FCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3c[nH]c(=O)c(Cl)c3)C2)cc1=O 72144021 QKZKYYYAOZZKAR-JTQLQIEISA-N 363.805 0.378 0 50 FCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1n[nH]c(C)n1 72147251 MCLUKYUWLNSJAZ-CQSZACIVSA-N 372.429 0.129 0 50 FCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](Cc1c[nH]cn1)n1cccc1)C2 72152587 IMUCRYVGYGEKHX-INIZCTEOSA-N 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COCCNc1nc2cc(C(=O)N3CCN4C(=O)OC[C@H]4C3)ccc2n1C 244748756 ONVSRRNBYSNUFM-CYBMUJFWSA-N 373.413 0.908 0 50 FCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1C[C@H](c2nnc(CO)n2C)C1 244852804 UZGLLTNERXNLHD-KYZUINATSA-N 374.854 0.227 0 50 FCAA Cn1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc(=O)n(C)c1=O 299794273 KCNYQKQRSBEDKE-LBPRGKRZSA-N 368.397 0.147 0 50 FCAA CCOc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cn1 328628299 NMZQMISCJACRSY-ZDUSSCGKSA-N 351.432 0.881 0 50 FCAA Cc1cc2c(cc1S(=O)(=O)N1CC[C@H](N3CCOCC3)C1)OCO2 366429562 GOQQQBNKTXEUPU-ZDUSSCGKSA-N 354.428 0.819 0 50 FCAA CS(=O)(=O)N1CCN(C[C@@H](O)Cn2cccn2)Cc2ccccc21 367039047 UBTBUCYVPJEHDE-OAHLLOKOSA-N 350.444 0.526 0 50 FCAA O=C(NCc1cccnc1)[C@H]1CNCCN1C(=O)c1onc2c1CCCC2 426372451 YCQOUGYRGULJFI-MRXNPFEDSA-N 369.425 0.679 0 50 FCAA CC(=O)N1CC[C@@H](NC(=O)COCc2nc3ccc(C)cc3[nH]2)[C@H](O)C1 426606705 GPAYSVSKNQOHGL-GDBMZVCRSA-N 360.414 0.486 0 50 FCAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(=O)n3ccccc3n1)C2 426689838 IMYYIUUYQAKDIC-UHFFFAOYSA-N 366.425 0.933 0 50 FCAA CCN(CCOc1ccccc1)C(=O)N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1 584895071 FPAKKUIRNNAWJC-ZFWWWQNUSA-N 360.414 0.196 0 50 FCAA Cn1nc2n(c1=O)C[C@H](C(=O)NCCN1CCCc3ccccc31)CC2 670456923 BKZULQUATAKTLQ-OAHLLOKOSA-N 355.442 0.713 0 50 FCAA Cc1c(Cl)c(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)nn1C 886078321 VZRRTDVARGXFPU-HNNXBMFYSA-N 356.810 0.383 0 50 FCAA CN(C)CCOc1cc(-c2noc([C@@H]3Cn4cnnc4CN3C)n2)ccn1 952895683 VVNVAFXTLOLJSM-ZDUSSCGKSA-N 370.417 0.850 0 50 FCAA Cc1nc(CN2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)cs1 952991056 ONIKMCJDLIDREI-AWEZNQCLSA-N 365.503 0.293 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)C1 1506397732 WXDLOVOARBQVDJ-AWEZNQCLSA-N 371.459 0.641 0 50 FCAA CCCN1CC[C@@H]2N(C(=O)Cn3nc(C)ccc3=O)CCC[C@@]2(CO)C1 1565514082 BZNZSZYTBDUKQL-LPHOPBHVSA-N 362.474 0.637 0 50 FCAA O=C1CCN(c2ccccc2C(=O)N2CCOC[C@H](C(=O)O)C2)C(=O)N1 1772808887 DKTFGSBPUHUKKE-LLVKDONJSA-N 361.354 0.306 0 50 FCAA CNC(=O)Cc1nc(Cn2cnc3ccccc3c2=O)n([C@H]2CCOC2)n1 1772818357 QXTYGCVFSRZGET-LBPRGKRZSA-N 368.397 0.286 0 50 FCAA CC(C)[C@H](NC(=O)CCc1nc2c(O)nc(S)nc2nc1O)C(=O)O 1776003678 DFDSWLZJBDJEEV-QMMMGPOBSA-N 367.387 0.278 0 50 FCAA NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)c1 1857528362 CEXHUAMJICCAJQ-OAHLLOKOSA-N 370.413 0.718 0 50 FCAA Cc1cccc(N2C[C@H](NC(=O)c3cc4n(n3)CCN(C)C4=O)CC2=O)c1 1857667627 WZIKMZFOFXLKEW-CYBMUJFWSA-N 367.409 0.812 0 50 FCAA NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCCN(c3ccccn3)C1)CC2 1875246769 AKWHKJXXCHBNAW-AWEZNQCLSA-N 368.441 0.678 0 50 FCAA O=C(Cc1ccc2nc(O)[nH]c2c1)NC1(CNC(=O)c2cnc[nH]2)CC1 1875330122 PBJNXFMTQKJPBJ-UHFFFAOYSA-N 354.370 0.613 0 50 FCAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NCc1nn(C)c2ccccc12 1875397863 QTCMSRIWOGSZSQ-GOEBONIOSA-N 353.430 0.769 0 50 FCAA N=c1ncnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCc4ccc(F)cc4O3)C2)[nH]1 1875405809 OUNCSLFSULDRPG-XQQFMLRXSA-N 358.377 0.876 0 50 FCAA Cc1cc(COCC(=O)N2CC[C@](C)(NC(=O)[C@@H]3CCCO3)C2)no1 1875407375 YGKHJNHMCDJMOM-YOEHRIQHSA-N 351.403 0.786 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C[C@H]1O)c1ncc[nH]1 2100557653 XZVYOOUIJYOSSL-NUEKZKHPSA-N 354.410 0.563 0 50 FCAA Cc1cnc(Cl)nc1N1CCO[C@@H](CNC(=O)COC(F)F)C1 2325866939 FHPYYFCTFYKGEY-VIFPVBQESA-N 350.753 0.999 0 50 FCAA CC1(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)CC1 2325878443 PLLNBNHBOSSCJS-VXGBXAGGSA-N 350.419 0.272 0 50 FCAA O=C1CN(C(=O)CCC(=O)NC2=N[C@@H]3CCCCC[C@@H]3S2)CCN1 41127898 OCYPMGVXKXFVBO-NEPJUHHUSA-N 352.460 0.645 0 50 FCAA CS(=O)(=O)NCCNC(=O)Nc1ccccc1CN1CCOCC1 48148164 GOFUDUIGBCYLII-UHFFFAOYSA-N 356.448 0.190 0 50 FCAA Cc1nc2c(c(=O)n1C)CCN(c1nccc(N3CC[C@H](O)C3)n1)CC2 65381614 GEAVDCVHZIUIPM-ZDUSSCGKSA-N 356.430 0.055 0 50 FCAA Cc1nc(CN(C)C(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)no1 67434422 WKFGQYNRULXUCY-UHFFFAOYSA-N 356.379 0.762 0 50 FCAA COc1cccc(CN2CCC[C@@](O)(CNCCS(C)(=O)=O)C2=O)c1 67447384 UYXXHGMZYQAOMP-QGZVFWFLSA-N 370.471 0.183 0 50 FCAA COc1ccc(-c2cn3cc(C(=O)N[C@@H](C)CO)nc3c(=O)n2C)c(F)c1 72421251 UJUWJTXSIUTOFB-JTQLQIEISA-N 374.372 0.958 0 50 FCAA 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CS(=O)(=O)N1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)CC1 172505182 NHSIHQACABKZNR-UHFFFAOYSA-N 368.415 0.756 0 50 FCAA CC1(C)CC(NC(=O)[C@]23CNC[C@H]2CN(C(=O)C2CC2)C3)CC(C)(C)N1 210367012 OLUFMFNIAIHVGI-XOBRGWDASA-N 362.518 0.870 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)n1 219094706 HWKDSXOYTBYEIL-HZPDHXFCSA-N 360.414 0.619 0 50 FCAA COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)c(O)c1 252481334 CJDLSKOKZXZDQQ-RHSMWYFYSA-N 371.393 0.801 0 50 FCAA COCCc1noc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)n1 252495618 OUOKFSVFWMKINP-UHFFFAOYSA-N 373.479 0.107 0 50 FCAA CC(C)n1ncc2cc(C(=O)N(C)C[C@@H](O)CN3CCOCC3)cnc21 267690428 OFEQELXFJSEGGI-MRXNPFEDSA-N 361.446 0.777 0 50 FCAA CN(Cc1ccc2nonc2c1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 299771734 WBAJFIRXZZWNDC-LBPRGKRZSA-N 352.416 0.300 0 50 FCAA O=C(Cn1ccccc1=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328622163 IEQBYQURAGTPNJ-INIZCTEOSA-N 369.425 0.839 0 50 FCAA CCc1noc([C@H](C)N2C[C@@H](O)[C@H](N(CC)Cc3nnc(C)o3)C2)n1 328632577 LKYXTFDQZOBAJK-CYZMBNFOSA-N 350.423 0.952 0 50 FCAA COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 330667534 SZIKLDMJDGHTKV-VIFPVBQESA-N 368.864 0.790 0 50 FCAA CS(=O)(=O)C1CN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)C1 333562473 WQUIMWBEENWWAJ-GFCCVEGCSA-N 356.469 0.998 0 50 FCAA C[C@H](NS(C)(=O)=O)C(=O)N1CCC(O)(Cc2ccccc2F)CC1 373337495 CDOBTYFMHPUGKM-LBPRGKRZSA-N 358.435 0.659 0 50 FCAA COCC(=O)Nc1cccc(NC(=O)NC[C@H]2CN(C(C)=O)CCO2)c1 426538034 CPZSQKCKNSPHIV-HNNXBMFYSA-N 364.402 0.640 0 50 FCAA NC(=O)[C@H]1CCCN(CCNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1 426604255 HJNJAQRBPBSHEC-ZDUSSCGKSA-N 364.421 0.796 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@H](O)C1 426651982 IMMRAZYAEBUYTH-VXGBXAGGSA-N 359.348 0.357 0 50 FCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(Br)n(C)n2)C1 818485856 FNIVXAXDIWVFIZ-ZDUSSCGKSA-N 359.224 0.286 0 50 FCAA Cc1ccc(C2=CCN(C(=O)c3cn([C@@H]4COC[C@H]4O)nn3)CC2)cn1 888093600 JJPIZENYGITYCX-IAGOWNOFSA-N 355.398 0.843 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc3nc(O)n(C)c3c1)C2 952849166 ZSBOETHCSHJLIG-XIKOKIGWSA-N 358.398 0.504 0 50 FCAA NC(=O)c1cc(N2CCOCC3(CC3)C2)nc(N2CCOCC3(CC3)C2)n1 1352005634 GWZJCGXBLORGTB-UHFFFAOYSA-N 373.457 0.809 0 50 FCAA CN1CCC[C@H](C(=O)N2CCCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)C1 1529179794 DTOJKJYRXLPBFC-ULQDDVLXSA-N 351.491 0.940 0 50 FCAA O=C(N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O)c1cn2cccnc2n1 1565525681 AQRNUWVTCOMYMC-HOCLYGCPSA-N 365.393 0.735 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc2cc[nH]c12 1704340022 CJAKKORMSGGSPW-JSGCOSHPSA-N 351.428 0.804 0 50 FCAA CSCC(=O)N[C@]1(C)CCOC2(CCN(c3cnccn3)CC2)[C@H]1O 1772709627 OZKWDMITBFGAGR-JKSUJKDBSA-N 366.487 0.835 0 50 FCAA COc1cc(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc(OC)c1 1857729546 PBWQFYCCZSGICN-BBWFWOEESA-N 354.472 0.863 0 50 FCAA CN(C[C@H]1CCCN(c2ccnc(CO)n2)C1)C(=O)c1cc(O)ncn1 1875333230 JTNWWACQEFSXJK-GFCCVEGCSA-N 358.402 0.453 0 50 FCAA NC(=O)C12CC(CNC(=O)[C@H]3Cc4ccccc43)(C1)OC21CCNCC1 1875393557 ORIPHSSCYCQXKQ-MNNVXMFVSA-N 355.438 0.599 0 50 FCAA COCc1nc(Cl)cc(=N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)[nH]1 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CCC(=O)c1ccc(OCC(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)cc1 65407802 GSHUFKDFZNINHY-INIZCTEOSA-N 359.426 0.643 0 50 FCAA Cc1cc(C(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)c2cnn(C(C)C)c2n1 65463907 JYSVCUHLUNUBNL-MRXNPFEDSA-N 370.457 0.919 0 50 FCAA CN(C)c1nc2c(c(N3CCN(C(=O)[C@H]4CCCO4)CC3)n1)CCNC2 67757569 YFIFLIDVMMSWRV-OAHLLOKOSA-N 360.462 0.016 0 50 FCAA COc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 67880709 XZHPVIXZXYWWGX-PWSUYJOCSA-N 351.790 0.520 0 50 FCAA Cc1nc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)no1 71745221 JCASYKVZJLFDDM-HNNXBMFYSA-N 363.462 0.918 0 50 FCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(=O)NC1CC1)CO2 71750233 FJPKKMQQFCYOLW-CQSZACIVSA-N 374.441 0.371 0 50 FCAA CN(C)CCCN1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72429090 ZZBSQLZQATWBHJ-MRXNPFEDSA-N 364.538 0.903 0 50 FCAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CCNS(C)(=O)=O 92045463 XLCKWXOLDPUOOT-NSHDSACASA-N 363.443 0.964 0 50 FCAA COc1cccc(OC[C@@H](O)CNC(=O)c2ccc(-n3cnnc3)nc2)c1 97436875 RRDGKUDHJVRBKQ-AWEZNQCLSA-N 369.381 0.841 0 50 FCAA C[C@@]1(CNC(=O)N2CCO[C@H](C(N)=O)C2)CCCN1Cc1ccccc1 119595810 AODFQNZRRORVQU-LPHOPBHVSA-N 360.458 0.937 0 50 FCAA COc1ccccc1N1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 138747039 GNSIEHPWZIEHTO-UHFFFAOYSA-N 358.398 0.330 0 50 FCAA COc1ccc(N2C[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)O)CC2=O)cc1 170554556 JSOAENXRYIHBEF-JOYOIKCWSA-N 350.327 0.092 0 50 FCAA NS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 170609769 DTCYVPSIMGHRDE-ZDUSSCGKSA-N 368.459 0.345 0 50 FCAA COc1cc(=O)n2c(c1C(=O)NCCc1nc(C)cc(C)n1)CCNCC2 244712687 KUJHMHDNEFIMPR-UHFFFAOYSA-N 371.441 0.382 0 50 FCAA COc1ccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c(F)c1 247899745 PWYRYJWGEBMQGB-LRDDRELGSA-N 372.418 0.612 0 50 FCAA Cn1ccnc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(F)cc3)C2)c1=O 275584108 PEUWIGUEKIHOLM-GJZGRUSLSA-N 359.405 0.704 0 50 FCAA CN1CC[C@@H]2OCCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)[C@H]2C1 285725525 KAFWFDHOCBYMRX-AGIUHOORSA-N 352.460 0.779 0 50 FCAA Cc1cccc(-c2nc(C(=O)NC[C@]3(O)CCS(=O)(=O)C3)c(C)[nH]2)c1 295409413 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HLOMWKRCCJBCOU-SJORKVTESA-N 363.414 0.034 0 50 FCAA O=C(O)CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(F)c(O)c3)C[C@@H]12 1704303946 DRWKIOUFVPUSGI-CRAIPNDOSA-N 366.389 0.905 0 50 FCAA CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704352271 WQFKVFYJJRMOGJ-CZUORRHYSA-N 363.439 0.146 0 50 FCAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3cnn4cccnc34)C[C@H]2CO1 1857738105 RJGFYWQZZIHZCX-KKUMJFAQSA-N 354.414 0.989 0 50 FCAA Cc1cccc2ncc(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c(=O)n12 1875244115 NDTBRZIOYQEKMB-ACJLOTCBSA-N 354.366 0.176 0 50 FCAA CN1CCCC[C@H](C(=O)N2CCC(n3[nH]c(C4CC4)nc3=O)CC2)C1=O 1875308668 QXCOFNLHFAEBAW-AWEZNQCLSA-N 361.446 0.871 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 1875365348 BEKAYMHEXCOXRS-GFCCVEGCSA-N 365.455 0.936 0 50 FCAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cc(C(F)(F)F)ccn2)C[C@H]1O 1875402587 HZNDHPFHCSXJLT-BXKDBHETSA-N 360.336 0.739 0 50 FCAA O=C(NC[C@H]1CCN(c2ccccc2)S1(=O)=O)c1cc(CO)on1 2325849223 JAHYJZIWBWEATI-CYBMUJFWSA-N 351.384 0.505 0 50 FCAA COc1ncc(Br)c(N2CCO[C@H](CN(C)C(C)=O)C2)n1 2325867180 NOQKFKMKSRYFJJ-SNVBAGLBSA-N 359.224 0.931 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)NC(=O)N1 19664520 LJUUWDJDOBHITF-LBPRGKRZSA-N 373.438 0.933 0 50 FCAA COC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 71375632 COYUXMVKQDLHBI-AWEZNQCLSA-N 369.487 0.529 0 50 FCAA N[C@@H](CCCCO)C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71746878 SIWRZZPJKLFICU-AWEZNQCLSA-N 357.414 0.207 0 50 FCAA CCCc1cc(N2CCN(CCS(C)(=O)=O)CC2)n2nccc2n1 72456768 SEXTWWRSATXKHX-UHFFFAOYSA-N 351.476 0.848 0 50 FCAA O=C(CSc1ccncc1)N1CCOC[C@@](O)(CN2CCCC2)C1 77422562 CIZLLPKLMBQEDY-QGZVFWFLSA-N 351.472 0.859 0 50 FCAA CCCN1CCCn2nc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2C1 82120783 NGNLQJJZOVHIRQ-AWEZNQCLSA-N 368.503 0.940 0 50 FCAA O=C(NC[C@@H]1OCCc2ccccc21)c1cnc(Cn2cncn2)nc1O 91325958 JNDVDWPTTUWPGI-HNNXBMFYSA-N 366.381 0.866 0 50 FCAA CN(C)CCn1ccnc1C1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 91546959 UIJDYSUHGXBHAC-INIZCTEOSA-N 359.478 0.444 0 50 FCAA COc1cccc(-c2ncc(CNC(=O)CN3C(=O)CNC3=O)s2)c1 91594576 FTGMKAAQHFDTMV-UHFFFAOYSA-N 360.395 0.987 0 50 FCAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1CO 91616819 ZBTNZWKHGAGVDD-HUUCEWRRSA-N 350.415 0.674 0 50 FCAA O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91713055 ARBCWHIRYYNBLO-IBGZPJMESA-N 369.425 0.714 0 50 FCAA Cn1ncc(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1=O 95356263 DIZTXJDURISBCH-UHFFFAOYSA-N 373.457 0.078 0 50 FCAA CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCCC2)Oc2ccccc21 97546722 LPGCGIFXFJNXHX-HNNXBMFYSA-N 353.444 0.426 0 50 FCAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)[C@@H]2[C@H]3CNC[C@H]32)CC1 102872681 RZGDTSUZIZFRDL-QLPKVWCKSA-N 369.473 0.714 0 50 FCAA O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1c[nH]cn1 170625171 BPLRYZMJLPMHTD-HNNXBMFYSA-N 373.388 0.761 0 50 FCAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3c[nH]c(=O)[nH]c3=O)c2)n1 215063963 HNGQLOWZULCODS-UHFFFAOYSA-N 353.382 0.855 0 50 FCAA CS(=O)(=O)NCCC(=O)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 244898889 ZDJXNJIWGLKLIH-ISOBSLSZSA-N 362.398 0.832 0 50 FCAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 262873308 MOMKBKXPWGZPJI-AWEZNQCLSA-N 358.398 0.730 0 50 FCAA NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 285717070 XSIYNAADCIZZJX-IBGZPJMESA-N 365.393 0.873 0 50 FCAA NS(=O)(=O)CCN1CCN(C(=O)c2n[nH]c3ccc(Cl)cc23)CC1 288129209 QAQLJFREBKZYBC-UHFFFAOYSA-N 371.850 0.263 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)C1 299743861 POAWZNQNULTZKM-CABCVRRESA-N 366.439 0.696 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc3ccccc3c2O)[C@H](O)C1 299785143 JLVCZHFVHSQTHH-IAGOWNOFSA-N 371.437 0.799 0 50 FCAA COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCNCC3)c1 299788921 UNIHFUGGXFWMNJ-UHFFFAOYSA-N 357.410 0.941 0 50 FCAA COc1ccc(CCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1OC 299793739 IGOSWIVXYWWOGY-CYBMUJFWSA-N 356.444 0.773 0 50 FCAA CC(C)c1cc(C(=O)N2CCO[C@H](CNc3nccn(C)c3=O)C2)n[nH]1 328635277 NFELSIKAHXILDB-GFCCVEGCSA-N 360.418 0.580 0 50 FCAA O=C1CC[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)[C@@H]([C@H]2CCCO2)N1 366558883 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353.492 0.917 0 50 FCAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1cccnc1N(C)C 91974394 URBSZOBXDRAKFM-JSGCOSHPSA-N 354.476 0.938 0 50 FCAA O=C1NC(=O)[C@H](CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)N1 95390178 YYKFSPWKUZCLNC-LBPRGKRZSA-N 360.418 0.309 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(C[C@@H]4[C@H]5CNC[C@H]54)CC3)n2C)CC1 102410728 WVLUQTPHCCRTOT-PIIMJCKOSA-N 373.549 0.207 0 50 FCAA O=C(CCn1cncn1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 131434163 ZIEVDMJPUFQJAB-UHFFFAOYSA-N 368.441 0.402 0 50 FCAA CN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 198524495 ZXGGLEOWWDIZKS-CQSZACIVSA-N 364.423 0.595 0 50 FCAA CCc1c(C)nn(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)c1C 213065348 LIZSJBJEWASYDD-CABCVRRESA-N 368.503 0.945 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)cc1 216218330 NKQQDFFRWUTVLN-AWEZNQCLSA-N 364.427 0.462 0 50 FCAA Nc1nc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc(=O)[nH]1 219184303 YYBKUCMYVYUZKF-UHFFFAOYSA-N 367.413 0.510 0 50 FCAA C[C@@H]1CCCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 242038625 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C[C@@H](CNS(=O)(=O)c1cccc(=NCCOCCF)[nH]1)N1CCCC1 1875335921 LTVNYGWGZCPMPN-AWEZNQCLSA-N 374.482 0.664 0 50 FCAA O=C(CN1CCOc2ccccc2C1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2100482735 VDNUWOUTKJJPIA-GOEBONIOSA-N 350.440 0.527 0 50 FCAA O=C(NS(=O)(=O)c1ccc2ncnc(O)c2c1)[C@H]1CC2(CCC2)CN1 2325865794 QSXXKZUUFOIUSW-CYBMUJFWSA-N 362.411 0.673 0 50 FCAA COCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 2964008 JTNJNDYOBGZIJB-UHFFFAOYSA-N 350.824 0.877 0 50 FCAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CCCCCC2)CC1 13675183 GRNXHKKFIOLUMG-UHFFFAOYSA-N 374.551 0.887 0 50 FCAA CCOC(=O)c1nn(CCN(C)C)c2c1CN(Cc1cnn(C)c1)CC2 20598597 FLTSOIXFLMBYTP-UHFFFAOYSA-N 360.462 0.913 0 50 FCAA Cn1ncc(N2CCN(C(=O)c3ccccc3-c3ncn[nH]3)CC2)cc1=O 20869289 YFHLLNUSRPMDOP-UHFFFAOYSA-N 365.397 0.528 0 50 FCAA Nc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n[nH]1 67560150 PQXIWSFFOWRJBX-UHFFFAOYSA-N 367.413 0.945 0 50 FCAA CCCN1CC[C@H]2N(C(=O)Cn3nc(C)ccc3=O)CCC[C@]2(CO)C1 72162259 BZNZSZYTBDUKQL-VQIMIIECSA-N 362.474 0.637 0 50 FCAA 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CNC(=O)c1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cn1 264668757 KUCICOXSMIGFMJ-UHFFFAOYSA-N 356.430 0.523 0 50 FCAA CCc1nc(CN2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)no1 299097813 KSPWLAIHYHTOBS-UHFFFAOYSA-N 368.401 0.566 0 50 FCAA CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2(C)C)c1 299118077 CHEADLFXWHKIMV-UHFFFAOYSA-N 362.473 0.736 0 50 FCAA CCN(C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)[C@H]1CCS(=O)(=O)C1 299744082 QSXBBVAKMVEXDB-AJNGGQMLSA-N 372.487 0.740 0 50 FCAA O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299754853 AADHVBWEWXXDNT-HZPDHXFCSA-N 365.397 0.745 0 50 FCAA Cn1ccnc(NC[C@@H]2CN(Cc3cccc4c3OCO4)CCO2)c1=O 328634631 MUNIBLGLDUFRCG-CQSZACIVSA-N 358.398 0.822 0 50 FCAA Cc1nccc(CN2CCC[C@H](Nc3nc(N)c4cnn(C)c4n3)C2=O)n1 368913248 KIZLSODPNXNWJO-ZDUSSCGKSA-N 367.417 0.647 0 50 FCAA Cc1c(-n2nnnc2SCc2nn[nH]n2)c(=O)n(-c2ccccc2)n1C 497476345 CBUDTMJUQUUSGY-UHFFFAOYSA-N 370.402 0.266 0 50 FCAA CC(C)(C)OC(=O)NOCCOCCOCCOCCOCC(=O)O 606235253 JVRAJIPQLHJVKM-UHFFFAOYSA-N 367.395 0.594 0 50 FCAA 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CN(C)C(=O)NCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91651134 SMRXYPKAYNPNQP-SFHVURJKSA-N 350.463 0.899 0 50 FCAA CSCC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 91769753 UGIXPACFVKDIJE-UHFFFAOYSA-N 366.535 0.632 0 50 FCAA CC(C)c1nnc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)o1 95385208 GWFOZYVULHYLTQ-CHWSQXEVSA-N 357.480 0.896 0 50 FCAA COc1ccc2c(=O)n(CC(=O)N3CCN(C)C(=O)[C@H]3C)ccc2c1OC 95500923 FNZISRZVLKYTCS-GFCCVEGCSA-N 373.409 0.708 0 50 FCAA O=C(Cn1cnnn1)N1CCC(c2nccn2Cc2cscn2)CC1 95507840 SWBOHCZEGDVYLE-UHFFFAOYSA-N 358.431 0.781 0 50 FCAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c1 97334298 AEJNUAXJHQAPBS-LLVKDONJSA-N 369.418 0.604 0 50 FCAA CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1 97568773 DIPQSQLKGWKQDM-GFCCVEGCSA-N 362.434 0.644 0 50 FCAA O=C1NCC2(CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)O1 223736004 GONOGFRRDFFFEH-CQSZACIVSA-N 356.386 0.558 0 50 FCAA Cn1ncnc1COc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1 237682397 PALICWZADJIZRJ-GFCCVEGCSA-N 351.432 0.424 0 50 FCAA 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VTRWMQWDBMLYBV-UHFFFAOYSA-N 363.385 0.939 0 50 FCAA Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)n1-c1ccc2c(c1)OCO2 77436880 INWHYMSFFGYZRN-ZDUSSCGKSA-N 360.370 0.366 0 50 FCAA C[C@H]1Cc2ccccc2N1C(=O)Cn1ncc(N2CCNCC2)cc1=O 95503378 DQXQZVWRLRKYKD-AWEZNQCLSA-N 353.426 0.631 0 50 FCAA O=C(O)c1cc(C(=O)O)cc(C(=O)OC([C@@H]2CO2)([C@H]2CO2)[C@H]2CO2)c1 139882571 ZJTWUOJJHZVZFW-UTUOFQBUSA-N 350.279 0.175 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C[C@@H]2CNCCO2)cc1 215794007 VCAAROCYGIRQMD-CQSZACIVSA-N 355.460 0.158 0 50 FCAA CN1CCC(O)(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 222485261 ZPDYCQAFJQLCEI-CVEARBPZSA-N 352.406 0.935 0 50 FCAA CC(=O)[C@]12[C@@H]3[C@H]4[C@H]([C@@H]5[C@@H]1[C@H]3[C@@]4(Br)C51OCCO1)C21OCCO1 252427768 FCTNJUJIKYLXCW-VZEXLTRBSA-N 369.211 0.947 0 50 FCAA O=C(NCc1cnn2cccnc12)C1CCN(C(=O)[C@@H]2CCCO2)CC1 299785252 YMRWNINDWACZJG-HNNXBMFYSA-N 357.414 0.763 0 50 FCAA Cn1ccnc(NC[C@@H]2CN(C(=O)c3cccc4c3CCC4)CCO2)c1=O 329831307 KNKDBXWKXAIUGM-OAHLLOKOSA-N 368.437 1.222 0 50 FCAA COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2nc(C)ccc2O)C1 365173941 APSUZADMTAOITC-AWEZNQCLSA-N 357.476 0.968 0 50 FCAA Cc1ncc(C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)c(C2CC2)n1 366944363 DDZWOIJYEBKJBH-MRXNPFEDSA-N 359.474 0.751 0 50 FCAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3nn(C)cc32)CC1 367323240 AKSXAWFYJQZBOY-CQSZACIVSA-N 354.476 0.975 0 50 FCAA COc1cc(=O)n2c(c1C(=O)NCCn1nc(C)c(C)c1C)CCNCC2 426509822 BSMWXDGWPMWWEZ-UHFFFAOYSA-N 373.457 0.554 0 50 FCAA CC(C)n1cnnc1CN(C)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426573033 GZWJQNIZQFANTQ-ZDUSSCGKSA-N 373.461 0.970 0 50 FCAA O=C([C@H]1CC[C@H](C2CC2)N1)N1CCN(S(=O)(=O)c2cccnc2)CC1 888094386 SJRFYSWBOSAQKN-HZPDHXFCSA-N 364.471 0.445 0 50 FCAA CCn1ncnc1CN[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 952978771 SIHUHAKLUGFUIW-NQKNOSNGSA-N 352.486 0.955 0 50 FCAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2noc(C(N)=O)n2)C1(C)C 1076053640 MFFQUPRTNOLORU-XXFAHNHDSA-N 351.407 0.363 0 50 FCAA Cn1c(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)cc(=O)n(C)c1=O 1506421708 UKXVCTAJYHTIHE-LBPRGKRZSA-N 356.382 0.214 0 50 FCAA CN1CC[C@@H]2CN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@]2(C(=O)O)C1 1565527201 YMAACTIWCWRJKN-CWTRNNRKSA-N 370.409 0.412 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C1 1565529790 SPKHWDUTSQADEU-KBPBESRZSA-N 373.375 0.959 0 50 FCAA COc1cccc(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704328665 MSRXFPNDUBQQCG-DZGCQCFKSA-N 356.444 0.260 0 50 FCAA CN1CCC[C@@H](N2CC(NC(=O)c3cnn(C)c3-n3cccc3)C2)C1=O 1775962661 YSPAOQDSANDAKY-OAHLLOKOSA-N 356.430 0.246 0 50 FCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cnn(Cc2ccccc2)c1 1857706698 NODGHJROVQRZRU-QYZOEREBSA-N 370.453 0.885 0 50 FCAA CS(=O)(=O)NCC[C@H]1COCCN1C(=O)c1ccc2c(c1)CCCO2 1857708147 HVEUEKFFPYEEMR-HNNXBMFYSA-N 368.455 0.792 0 50 FCAA O=C(Nc1cnsc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1875308854 BISOCOHDQBTCMX-UHFFFAOYSA-N 357.417 0.811 0 50 FCAA O=C(O)[C@H](Cc1cn(Cc2cccs2)nn1)NC(=O)[C@@H]1CCOC1 1875325308 VNQMHTJZJDXJNZ-MFKMUULPSA-N 350.400 0.536 0 50 FCAA CCc1nccnc1C(=O)NC[C@H]1N(C(=O)CNC(N)=O)CCC1(C)C 2325873877 XGJNJBGSBFUZKF-GFCCVEGCSA-N 362.434 0.064 0 50 FCAA C=CC(=O)N1CCC(C(=O)NCc2nnc3ccc(N(C)C)nn23)CC1 2325885890 CSVGKIISIASRER-UHFFFAOYSA-N 357.418 0.231 0 50 FCAA C=CC(=O)NCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 2325888963 AXHNVEFUBFRLRE-AWEZNQCLSA-N 366.215 0.751 0 50 FCAA Cc1cccc(N=c2[nH]c(CN3C[C@H]4COC[C@@]4(CO)C3)nc(=N)[nH]2)c1 2356162247 DIESOUGMWLDFLP-UGSOOPFHSA-N 356.430 0.199 0 50 FCAA NC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12001979 RTPYFLNYGDVDMG-UHFFFAOYSA-N 351.428 0.699 0 50 FCAA O=C(c1ccccc1-n1cccn1)N1CCN(CCn2cncn2)CC1 19799216 WQOXPALPVVGUKB-UHFFFAOYSA-N 351.414 0.922 0 50 FCAA CCNc1ncc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cn1 71750495 JKCOOYLUAFCCEC-UHFFFAOYSA-N 369.429 0.734 0 50 FCAA CN1C[C@]2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)OC1=O 72158460 XOOFSGMMOGGCFC-SFHVURJKSA-N 356.382 0.840 0 50 FCAA Cc1cn(CC(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c(=O)[nH]c1=O 72165464 WDTBHIOTVQWESB-ZDUSSCGKSA-N 362.430 0.285 0 50 FCAA CN1CC2(CCN(Cc3cc(=O)n4cccc(O)c4n3)CC2)C[C@@H]1C(=O)O 72172507 IOKZNRWBMZPKJY-CQSZACIVSA-N 372.425 0.771 0 50 FCAA CS(=O)(=O)c1cnc(NCCc2cn[nH]c2)nc1[C@H]1CCCNC1 72480458 DQEIKMOZWXHOOC-LBPRGKRZSA-N 350.448 0.725 0 50 FCAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(C)=O)C[C@H](O)C2)cc1 91636368 FLYZCMOFCXXLOV-HNNXBMFYSA-N 369.443 0.113 0 50 FCAA O=C1N(CCO)CCC[C@@]12CCN(c1nc3ccccc3n1CCO)C2 91694344 JJWLLJAJIBLEBJ-IBGZPJMESA-N 358.442 0.840 0 50 FCAA C=Cc1cccc(CN2C[C@@H](NC(=O)CNC(N)=O)C[C@H]2C(=O)NCC)c1 91708090 XNXDWPHFAZNGST-HOTGVXAUSA-N 373.457 0.193 0 50 FCAA Cc1nccn1Cc1nnc(C2CCN(C(=O)CCC(N)=O)CC2)n1C 91808239 YDJCEDZNWJBFOY-UHFFFAOYSA-N 359.434 0.340 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc3cccc(F)c3n2)C1 92064880 SRWRSDAEEBFQNW-GFCCVEGCSA-N 367.402 0.764 0 50 FCAA Cc1ccnn1CC(=O)N1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1 95369032 XULXIAHLZGNKFE-UONOGXRCSA-N 357.480 0.071 0 50 FCAA Cc1nc([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cc(=O)[nH]1 95379936 XGAQEAJFXHXFPB-NSHDSACASA-N 361.402 0.115 0 50 FCAA OCCn1nc(-c2ccncc2)nc1CN1CCN(c2ncccn2)CC1 96149903 QGHJWFZALWHEQX-UHFFFAOYSA-N 366.429 0.445 0 50 FCAA Cn1cc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)c(=O)[nH]c1=O 96179927 VAYYNXIBZCDQCA-UHFFFAOYSA-N 351.366 0.662 0 50 FCAA CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(Cn2ccnn2)CC1 120467725 ZDYDETDMGKYQET-ZDUSSCGKSA-N 357.480 0.481 0 50 FCAA C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCCN(CC(F)(F)F)CC1 155876681 ZAVDMCQKOZBZQO-LBPRGKRZSA-N 364.412 0.669 0 50 FCAA CCc1nnc(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)n1C 190272519 WAMTXELWCFSXGD-UHFFFAOYSA-N 364.475 0.347 0 50 FCAA Nc1nnnn1CC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210179161 IZQKMXHYNGUXQW-CVEARBPZSA-N 352.398 0.786 0 50 FCAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)c1cc(=O)n(-c3ccccc3)[nH]1)CC2 215752593 KEGFFUNTVXVSDU-UHFFFAOYSA-N 365.393 0.798 0 50 FCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 299749319 JXVMXQGYKVQXBX-WDEREUQCSA-N 366.336 0.880 0 50 FCAA CN(C)S(=O)(=O)CCNC(=O)Nc1ccc(-n2cncn2)c(Cl)c1 299770258 QOBVGCWEUWDWGK-UHFFFAOYSA-N 372.838 0.934 0 50 FCAA Cc1cnn(CC(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c1 299794843 LCQOWZVWVJCMRL-UHFFFAOYSA-N 369.491 0.457 0 50 FCAA Cn1ncn(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1=O 329712160 PPZOHHNUAKFOIX-UHFFFAOYSA-N 367.812 0.719 0 50 FCAA NS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cs1 330322251 SLGUOLUFMYAOLB-WDEREUQCSA-N 358.441 0.606 0 50 FCAA Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)s1 333885184 FOHTTZKPRWDEGM-VXGBXAGGSA-N 365.498 0.942 0 50 FCAA Cc1c2ccc(=O)cc-2oc(O)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 334158070 MPQRVOSHDQQSJC-SNVBAGLBSA-N 351.380 0.604 0 50 FCAA CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 363636462 BIFOFBALECGJKQ-ZDUSSCGKSA-N 351.428 0.725 0 50 FCAA COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 366016687 IUNJDBHSBSGAIR-VYUIOLGVSA-N 352.343 0.578 0 50 FCAA CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 408517019 OUSZVMPYDFLWGY-RISCZKNCSA-N 356.444 0.400 0 50 FCAA CC(C)C(=O)N1CCn2nc(CNS(=O)(=O)N3CCCC3)cc2C1 426562877 KFAGVLCNDRYRSQ-UHFFFAOYSA-N 355.464 0.312 0 50 FCAA Cc1cccc(NC(=O)CCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 827825757 KPHHPBXEVRVSDO-HNNXBMFYSA-N 367.471 0.559 0 50 FCAA Cc1cnc(C(=O)NC[C@@H]2CCCN(C(=O)CCCn3cncn3)C2)cn1 952977504 UCEGICSSMNIDQI-HNNXBMFYSA-N 371.445 0.825 0 50 FCAA CN(C)c1nc(N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc(C(F)(F)F)n1 1772707795 ZBBDYUFOPZYUOB-BETUJISGSA-N 360.292 0.927 0 50 FCAA COc1cc(C)c(S(=O)(=O)N2CC[C@]3(CNC(=O)CO3)C2)c(C)c1C 1772815015 CEXUVOTVNGJKNM-KRWDZBQOSA-N 368.455 0.900 0 50 FCAA CN1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@H](c2cncn2C)C1 1775960151 VICFAPMJBVUASQ-HUUCEWRRSA-N 352.402 0.223 0 50 FCAA COc1ccc(-n2nc(CC(N)=O)nc2[C@@H]2CCc3ncnn3C2)cc1 1857680009 DVHJANOFXRSCKA-LLVKDONJSA-N 353.386 0.625 0 50 FCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3c(C)cnn3COC)C2)cc[nH]1 1875397993 WPTSKFLGRWYDDG-HIFRSBDPSA-N 361.450 0.042 0 50 FCAA CN(Cc1nc(-c2cnn3c2OC[C@H](O)C3)n(C)n1)C(=O)OC(C)(C)C 2325821107 DDRAFLORQABVTL-SNVBAGLBSA-N 364.406 0.799 0 50 FCAA Cc1ccnc(-n2cc(S(=O)(=O)NC3(c4n[nH]c(C)n4)CC3)cn2)c1 2325829085 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O=C(NS(=O)(=O)N1CCc2sccc2C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875284479 VWKHYHHKFXINAW-MOWSAHLDSA-N 354.453 0.891 0 50 FCAA CNC(=O)C(C)(C)NC[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67561229 VEFQERIWXLNUTI-LJQANCHMSA-N 363.458 0.663 0 50 FCAA CN(C)Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1C 72432741 MRZJHQKGWYXCCT-CYBMUJFWSA-N 364.475 0.840 0 50 FCAA CCN1CCN(Cc2n[nH]c3ccc(OC)cc23)[C@H]2CS(=O)(=O)C[C@H]21 77298337 OMVNUVZEUIHDIP-SJORKVTESA-N 364.471 0.875 0 50 FCAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)[nH]c1=O 77341336 XAUWBPZZVGPGIJ-UHFFFAOYSA-N 371.393 0.866 0 50 FCAA CCc1nccn1CCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 77353367 VJOSNHPPCNWOAX-CQSZACIVSA-N 358.446 0.572 0 50 FCAA Cc1ncsc1C(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77354751 IGGHAEUOCOJBGK-WDEREUQCSA-N 372.472 0.057 0 50 FCAA CN(CCO)Cc1nnc(C2CCN(C(=O)c3cnccn3)CC2)n1C 77564644 HGJHYTPHMLPVMT-UHFFFAOYSA-N 359.434 0.049 0 50 FCAA Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 91713753 XCVWRCVWTKDHPM-QWHCGFSZSA-N 355.464 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CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCOC)c(=O)n2C 11613317 KCLBHMDTFFOVII-UHFFFAOYSA-N 360.418 0.756 0 50 FCAA CC(=O)Nc1ccc2c(c1)nc(CN1CCN(S(C)(=O)=O)CC1)n2C 20706369 VRGOMASQFNPMJP-UHFFFAOYSA-N 365.459 0.609 0 50 FCAA Cn1ncc(N2CC[C@@H](CNC(=O)CSc3ccccn3)C2)cc1=O 23158760 PACFZJQRBJANQK-ZDUSSCGKSA-N 359.455 0.910 0 50 FCAA COC(=O)c1cc2n(n1)CCCN(C(=O)Cn1nc3ccccc3n1)C2 65528352 FPMVRSRCNFYZMZ-UHFFFAOYSA-N 354.370 0.847 0 50 FCAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCCN(Cc2cccs2)CC1 72406785 PFTQJMLELZKOAQ-UHFFFAOYSA-N 362.455 0.723 0 50 FCAA COc1coc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cc1=O 85533921 CPXNCOWNCPIDGH-WDEREUQCSA-N 358.416 0.294 0 50 FCAA Cc1cnc(C)c(N2CCN(C(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CC2)n1 91893338 BGJDYLCQHMJQSK-ZDUSSCGKSA-N 360.418 0.025 0 50 FCAA O=c1cc(CN(CCO)[C@@H]2CCS(=O)(=O)C2)[nH]c2ccc(F)cc12 92106836 OXQCZXWSKFBWDI-CYBMUJFWSA-N 354.403 0.649 0 50 FCAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)C1 95352282 MQGQAJXASZMVPP-AWEZNQCLSA-N 367.471 0.925 0 50 FCAA COCC(=O)N1CCC[C@H](C(=O)NCc2nnnn2-c2ccccc2)C1 95498935 DJUCQGYFCWCNQN-ZDUSSCGKSA-N 358.402 0.164 0 50 FCAA Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccnc3)C1)C2 95527125 XCLIXXHMIXCDCX-CYBMUJFWSA-N 353.382 0.364 0 50 FCAA CN(CCC(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1)S(C)(=O)=O 216307178 QUPGDJPHODKTSU-UHFFFAOYSA-N 363.443 0.638 0 50 FCAA O=C1CN(CC(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)C(=O)N1 217201004 RSQROTSYMQKKMA-UHFFFAOYSA-N 359.361 0.960 0 50 FCAA O=C(CNS(=O)(=O)c1cccs1)N1CCC(n2cnnc2)CC1 221452076 UICKPKWRRRBEOG-UHFFFAOYSA-N 355.445 0.482 0 50 FCAA CN(c1cnn(C)c1)S(=O)(=O)CCCCS(=O)(=O)NCC1CC1 241466074 NUPHILIEOYUCPC-UHFFFAOYSA-N 364.493 0.296 0 50 FCAA NC(=O)[C@@H]1CCCN(CCNC(=O)c2cnc(N)nc2C(F)(F)F)C1 244691917 JLFORVJEGVANNH-MRVPVSSYSA-N 360.340 0.005 0 50 FCAA COCCn1nnnc1[C@@H]1CN(CCn2cnc3ccccc32)CCO1 244708300 KRGYUCCNIXHXRZ-INIZCTEOSA-N 357.418 0.743 0 50 FCAA COc1ccc(CC(=O)NC2[C@H]3CC(N)C[C@H]2CS(=O)(=O)C3)cc1F 374019550 TUTIYIKLFDPCKV-LZSIIWAZSA-N 370.446 0.644 0 50 FCAA Cc1cc2[nH]c(CN3C[C@H]4COCC[C@@]4(O)[C@@H]4COCC[C@@H]43)cc(=O)n2n1 390825767 COLANZRWTWFXMJ-YBKUAAOGSA-N 374.441 0.319 0 50 FCAA O=C(CN1CCCCCC1)N1CCn2nc(CNc3cnccn3)cc2C1 426530770 IAJPEOAEOUQWTN-UHFFFAOYSA-N 369.473 1.503 0 50 FCAA Cn1ccnc1CN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC12CCNCC2 435560954 YNFQLSOLLWUKRH-JKSUJKDBSA-N 361.490 0.659 0 50 FCAA CN1CCC(c2n[nH]c3c2CN(C(=O)[C@H](O)c2cnn(C)c2)CC3)CC1 952851080 DXPFBLRECNAMGM-QGZVFWFLSA-N 358.446 0.571 0 50 FCAA CN1CC[C@@](C)(CN(C)S(=O)(=O)c2ccc(OCC(N)=O)cc2)C1 952860703 SGGXNVOJIPFXED-MRXNPFEDSA-N 355.460 0.513 0 50 FCAA CNc1nc(C)cc(C(=O)N2CCOC3(CN(Cc4ncccn4)C3)C2)n1 952892779 DDCZAYVBLBIWJK-UHFFFAOYSA-N 369.429 0.344 0 50 FCAA C[C@H](C(N)=O)N1CCC2(CC1)CN(C(=O)c1ccc(Cl)cn1)CCO2 952977328 XSCPLDJXXJJESM-GFCCVEGCSA-N 366.849 0.916 0 50 FCAA O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1C(=O)NCC12CCOCC2 1310439050 PHGJCLCKLYLRCM-AWEZNQCLSA-N 358.398 0.389 0 50 FCAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)O[C@@H]5CCN(C6CCOCC6)C5=O)[C@H]1[C@H]3[C@@H]42 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COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 20051551 OCSSGZTWIYLAGC-QGZVFWFLSA-N 374.441 0.724 0 50 FCAA O=C(NC[C@H]1CCc2ccccc2O1)c1cn(CCN2CCOCC2)nn1 20906420 HNFJJGSVMSPASQ-MRXNPFEDSA-N 371.441 0.734 0 50 FCAA Cc1ncc2c(c1-c1noc([C@@H]3CCN(C)C3)n1)CCN(C(=O)CN)C2 23478413 ONLHPQQTXRGENI-GFCCVEGCSA-N 356.430 0.703 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCSc1ccc2c(c1)OCCO2 67714118 SNQKZGBLQGUQST-YPMHNXCESA-N 365.455 0.614 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1nc2ccccc2[nH]c1=O 67833333 GEYJJFOTEOYUAV-WBMJQRKESA-N 371.441 0.309 0 50 FCAA CN(C)c1ccc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cn1 77378576 CWJJTJHQJQYEDT-IAGOWNOFSA-N 355.442 0.908 0 50 FCAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@](O)(CN2CCCC2)C1 77503612 WNWLGNMEIIINAS-IBGZPJMESA-N 370.457 0.784 0 50 FCAA COc1c[nH]c(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)cc1=O 91305091 CXFFFHVEDSZQCZ-PWSUYJOCSA-N 357.432 0.029 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCn2cccn2)CN1Cc1cccnc1 91493104 CHZCXEOSVATMNP-IRXDYDNUSA-N 370.457 0.564 0 50 FCAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 91535880 SJTNQFLYZFDMGN-UONOGXRCSA-N 365.455 0.807 0 50 FCAA CN(CCO)C[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CO 91818208 CNSWPQDZBHIOFP-IAGOWNOFSA-N 362.449 0.976 0 50 FCAA CCc1nc(C[C@H]2CN(c3nc(C)ncc3S(C)(=O)=O)CCO2)no1 95352570 RLIUTWLFXBHAJP-NSHDSACASA-N 367.431 0.582 0 50 FCAA CNC(=O)c1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1OC 96138523 WVDGNKWGXJUBRN-JTQLQIEISA-N 355.416 0.611 0 50 FCAA Cn1nnc(-c2ccc(NC(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)n1 96164238 YFTUCARMCYQVPD-JTQLQIEISA-N 350.404 0.433 0 50 FCAA O=C(NCc1nnc2n1CCCCC2)N1CCN(C[C@H]2CCOC2)CC1 175603401 GUVKBECQMUWSNZ-OAHLLOKOSA-N 362.478 0.868 0 50 FCAA CNC(=O)c1noc(CNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)n1 215271199 LGEOZKHDLKWBLG-QMMMGPOBSA-N 356.342 0.086 0 50 FCAA O=C(c1cccc(S(=O)(=O)NCCCn2cncn2)c1)N1CCCC1 215677879 CUJFCFPPOXZHSY-UHFFFAOYSA-N 363.443 0.883 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1=O 216162377 PIYLMSOAZLTKFO-HNNXBMFYSA-N 358.398 0.219 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1nc[nH]c1C)CC2 219557375 INUSMCBHHSXDCJ-UHFFFAOYSA-N 358.446 0.964 0 50 FCAA O=C(Cn1ccc(=O)c2ccccc21)NCc1nc(-c2cnccn2)n[nH]1 219882783 BQWNWGGZUZQAGU-UHFFFAOYSA-N 361.365 0.893 0 50 FCAA CC1CCN(C(=O)CCN2CCCn3nc([C@H](O)CO)cc3C2)CC1 220368117 HSXQEPVARWBAIR-QGZVFWFLSA-N 350.463 0.763 0 50 FCAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)nn2)CC1 244882823 XZQXEOBCTIJNIS-BETUJISGSA-N 367.417 0.831 0 50 FCAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1c[nH]nc1-n1cnnn1 252551781 UGXBYFJACOUVAK-YDHLFZDLSA-N 353.386 0.497 0 50 FCAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC(OCc3ccccn3)CC1)CC2 299785299 XTEVSPYKYXIGLF-CQSZACIVSA-N 371.441 0.747 0 50 FCAA CN(CC(=O)N1C[C@@H](c2c[nH]nn2)[C@@H](CC(=O)O)C1)Cc1cccnc1 299790458 BRQZPBMXDQDRRH-UONOGXRCSA-N 358.402 0.348 0 50 FCAA CN1CCCN(CC(=O)NCCc2csc(-c3cnccn3)n2)CC1 299792080 DGGMTVCGPVJNJR-UHFFFAOYSA-N 360.487 0.896 0 50 FCAA Cc1nonc1CN1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 299800751 VJWLNGMEQWYZSR-OAHLLOKOSA-N 355.398 0.897 0 50 FCAA CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1=O 333083716 XTMYSEUMFVCJCX-NWDGAFQWSA-N 353.444 0.340 0 50 FCAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)N1CCc2nc[nH]c2C1 426425517 VYXWXDYRWRMUNU-QGZVFWFLSA-N 356.430 0.946 0 50 FCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)NCCn1c(C)cc(C)nc1=O 426488300 RWLSUVQYIKOYJW-OAHLLOKOSA-N 363.462 0.903 0 50 FCAA C[C@@H](CCN1CCOCC1)NC(=O)N1CCc2c(c(CO)nn2C)C1 426494273 AIJREDDFOGRFBD-ZDUSSCGKSA-N 351.451 0.091 0 50 FCAA CC(C)c1noc([C@@H]2CCCN(C(=O)NCc3noc(C(N)=O)n3)C2)n1 584901242 XQDMRDAVPLJVMM-SECBINFHSA-N 363.378 0.764 0 50 FCAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(C(N)=O)cc2)C1 584901864 CRTDHNDYWWVFFZ-CYBMUJFWSA-N 353.444 0.752 0 50 FCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 952979779 OLWAOSCYZOPNOF-LBPRGKRZSA-N 352.412 0.878 0 50 FCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3c[nH]c(=O)cn3)C1)CC2 1704297273 KOBSPGTTZBBWML-SFHVURJKSA-N 354.414 0.746 0 50 FCAA CC(=O)c1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)s1 1704300928 BPZCBIGMWLAJFY-QWRGUYRKSA-N 360.457 0.587 0 50 FCAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCNS(C)(=O)=O)C1)CC2 1704338741 YPDZCDUXFTZAQB-INIZCTEOSA-N 352.460 0.531 0 50 FCAA O=C1C[C@H](C(=O)N2CCCN(C(=O)CN3CCCCCC3)CC2)CN1 1704340822 NBFXSZSDYSTXGV-HNNXBMFYSA-N 350.463 0.059 0 50 FCAA CS(=O)(=O)CCC(=O)N1C[C@H]2COC[C@@H]1CN(Cc1ccccn1)C2 1772701150 JSTLCMWHJZKSEL-HOCLYGCPSA-N 367.471 0.176 0 50 FCAA CN(C)C[C@]12CN(Cc3cncnc3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 1772807589 PJHAURZDNVFXOX-UYAOXDASSA-N 373.501 0.725 0 50 FCAA Cc1n[nH]cc1-c1nc([C@H]2CCCN(CC(N)=O)C2)n(-c2cnn(C)c2)n1 1772808976 HULSURKZJPOUJC-LBPRGKRZSA-N 369.433 0.364 0 50 FCAA COCC(=O)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1C(=O)[C@H]1CCCCn2nnnc21 1857670212 BFBMBQGYSNSYDF-SBJFKYEJSA-N 374.445 0.035 0 50 FCAA O=C(N[C@@H]1C[C@@H](C(=O)NCc2cccnc2)CC[C@H]1O)C1CCOCC1 1857699427 PLHBGKLMRCLUGG-GVDBMIGSSA-N 361.442 0.770 0 50 FCAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccn5ncnc5c4)[C@@H]2CC(=O)N13 1857736071 JLSMZZCHPRAJSW-IYOUNJFTSA-N 355.398 0.927 0 50 FCAA 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CNc1ncccc1C(=O)N[C@H]1C[C@H](c2nnc(CO)n2CCOC)C1 223005855 PCGBOGNOGZLMDR-TXEJJXNPSA-N 360.418 0.530 0 50 FCAA Cc1ncsc1C(=O)N1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 225404786 IGGHAEUOCOJBGK-MNOVXSKESA-N 372.472 0.057 0 50 FCAA CCS(=O)(=O)N1C[C@@H](C(=O)NC[C@H]2CCCO2)Oc2ccccc21 245224343 VGXPYDLKHXLGOI-DOMZBBRYSA-N 354.428 0.899 0 50 FCAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C2)n1 253535471 SZLWJTSSZZTYJP-PHIMTYICSA-N 366.381 0.919 0 50 FCAA Cc1cc(N2CC[C@H](NC(=O)c3ccnc(N4CCCC4)n3)C2=O)n(C)n1 266378107 JUANMLSFAPEVTL-AWEZNQCLSA-N 369.429 0.654 0 50 FCAA O=S(=O)(CCCN1CCOCC1)N1CCN(Cc2ccco2)CC1 274160123 FIPSVBFVIPSOOB-UHFFFAOYSA-N 357.476 0.449 0 50 FCAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc(-c2nnn(C)n2)cc1 299758517 MBLPVUGAGDZBFS-NSHDSACASA-N 356.390 0.606 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)NCCc1cn2ccccc2n1 299764355 UPCVLAYKBOARLI-UHFFFAOYSA-N 365.441 0.605 0 50 FCAA CN(C[C@@H]1CN(C(=O)c2ccc(F)cn2)CCO1)c1nccn(C)c1=O 328656940 ZVHPSIQOOCPQFH-CYBMUJFWSA-N 361.377 0.292 0 50 FCAA Cn1cccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1=O 330626945 WHWVQDSCPYWYON-UHFFFAOYSA-N 351.357 0.935 0 50 FCAA NC(=O)COc1ccc(/C=C/C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 371806847 PDCQNGPOGXJJEH-GIZXNFQBSA-N 359.426 0.497 0 50 FCAA Cc1nnnn1-c1cc(NC(=O)N[C@@H]2CCc3nnnn3CC2)ccc1F 421056618 TXZDRRKCNCMZTO-SNVBAGLBSA-N 372.368 0.623 0 50 FCAA COCCn1cnnc1CN(C)C(=O)Nc1cccc(-c2nnn(C)n2)c1 426405728 OHEOZCDOKFWTKP-UHFFFAOYSA-N 371.405 0.779 0 50 FCAA C=CC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 837081114 ITUOWJFIRRIWDN-CYBMUJFWSA-N 355.435 0.821 0 50 FCAA Cn1cnnc1SCC(=O)NC[C@H](c1cccnc1)N1CCOCC1 1506415547 YZNRBNMJTVHXSG-CQSZACIVSA-N 362.459 0.492 0 50 FCAA Cc1cc(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)on1 1615752197 NTERUQFXLLNQPG-HOTGVXAUSA-N 359.382 0.977 0 50 FCAA COc1c(F)cc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1F 1704314942 YVXCUJBYIPMQAM-JQWIXIFHSA-N 370.352 0.831 0 50 FCAA NC(=O)c1ccc(N2CCCN(C(=O)CCCn3cncn3)CC2)nc1 1772813894 ZWQIPJSFIVHKOE-UHFFFAOYSA-N 357.418 0.291 0 50 FCAA CCCc1nnc(N2C[C@@H](C(=O)N[C@H]3C[C@H](C(=O)OC)C3)CC2=O)s1 1857719297 IPQNWWPBMAOZTM-DCAQKATOSA-N 366.443 0.911 0 50 FCAA CC(=O)c1cccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c1 10111434 BDENIMFBVOGEJO-UHFFFAOYSA-N 355.460 0.723 0 50 FCAA CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 20181936 DHYXZSUZYUKULE-UHFFFAOYSA-N 367.471 0.596 0 50 FCAA CN1CCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 22935088 NFWFVWVFSHMADH-UHFFFAOYSA-N 368.503 0.450 0 50 FCAA COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc3oc(=O)ccc3c2)CN1C 65408986 ROKFGFCJZNAGCD-AAEUAGOBSA-N 366.395 0.317 0 50 FCAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(OCC(=O)N2CCOCC2)cc1 65424718 VTJAEHJAXCAAJW-SJORKVTESA-N 373.453 0.777 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)N3CCN(C(N)=O)CC3)cnn2c1 67641680 KLWVKVZXIRBFNL-UHFFFAOYSA-N 359.434 0.408 0 50 FCAA C[C@@H](O)[C@H](N)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 71681404 MQRMLRVSXSLDPU-WBMJQRKESA-N 355.442 0.802 0 50 FCAA CN1C(=O)C2(CCN(C(=O)CCN3CCNCC3)CC2)c2ccccc21 72125627 MRDCFVKNYSMCOA-UHFFFAOYSA-N 356.470 0.819 0 50 FCAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@]3(CNCCOC3)C2)c1C 72156358 HPGDNUDJVCDZKE-GOSISDBHSA-N 365.430 0.639 0 50 FCAA CS(=O)(=O)c1cnc(NCCn2ccnc2)nc1[C@H]1CCCNC1 72421788 LURIFMSYTLUCRS-LBPRGKRZSA-N 350.448 0.656 0 50 FCAA CS(=O)(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCNC3)CC1 72439271 WPQXWBHFXQVZOY-UHFFFAOYSA-N 350.448 0.446 0 50 FCAA CN(C)S(=O)(=O)N1CCOC[C@H]1CC(=O)NCCOc1ccccc1 72472999 IHSZJSCQTVVCDS-CQSZACIVSA-N 371.459 0.079 0 50 FCAA CN1CCN(C(=O)N2CCCCC2)C[C@]12CCC(=O)N(CC(=O)O)CC2 91444565 YAOGURNOKHMLOZ-GOSISDBHSA-N 366.462 0.676 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCOC[C@H]3CO)ccc21 95378685 KSJHXVBHQNWXOJ-CQSZACIVSA-N 360.414 0.243 0 50 FCAA Cc1nccn1Cc1nnc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1C 95382963 TXJGWIXNXYTHLJ-CYBMUJFWSA-N 367.479 0.354 0 50 FCAA CN1CCN(C(=O)CN2CCc3ccccc3C2)C[C@@]12CCNC(=O)CC2 95392319 ZZFKAHSDOPDXSV-OAQYLSRUSA-N 370.497 0.858 0 50 FCAA CS(=O)(=O)N1C[C@H]2CN(CCc3ccc(F)cc3)C[C@@]2(C(=O)O)C1 96139899 SBWZWTNSRVGYNU-CZUORRHYSA-N 356.419 0.646 0 50 FCAA CCN1CCN([C@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)CC1 153379317 KCZYGRVSWBEKHI-ZDUSSCGKSA-N 373.910 0.718 0 50 FCAA NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 171533782 FHXLPFRPZBSUOK-LLVKDONJSA-N 351.432 0.039 0 50 FCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1 219679489 KCQMHPUDXXEIGJ-HZPDHXFCSA-N 364.398 0.512 0 50 FCAA CN(C)[C@H]1CCN(CC(=O)N2CCN(c3ccc(C(=O)O)cc3)CC2)C1 223784215 XKFUCSLQSMKEAV-KRWDZBQOSA-N 360.458 0.669 0 50 FCAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@H](CO)[C@H](O)[C@@H]1O 239386659 PVZNOMYOMQFDQC-DRRXZNNHSA-N 353.415 0.307 0 50 FCAA O=C(Cn1nc2ccccc2n1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 244811466 SDGWMOOVUINLLS-QZTJIDSGSA-N 366.425 0.578 0 50 FCAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1CCN(c2ccccn2)C1 245521293 TWOYPJOFDPHVBY-MCIONIFRSA-N 352.460 0.877 0 50 FCAA Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 265631928 SAHHQCCYAKDBNT-UONOGXRCSA-N 367.471 0.640 0 50 FCAA O=C(CC1=CSC2=NCCCN12)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299762404 UZHZTBBQQPJHQX-UONOGXRCSA-N 360.443 0.990 0 50 FCAA NC(=O)COc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1 426628321 SDTXYMRYAGUULT-UHFFFAOYSA-N 361.442 0.924 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@H]2O)on1 1529094652 IZMAQEAWQDPYKA-IUODEOHRSA-N 357.366 0.953 0 50 FCAA O=C(c1cnn2ccccc12)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565526287 VVSHSFGBPYPXHY-HOTGVXAUSA-N 358.442 0.737 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704303866 KLEDEUXKNCTFTN-GJZGRUSLSA-N 364.446 0.213 0 50 FCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3csc(-c4ncccn4)n3)C[C@@H]21 1857696563 GYNXSPAYGWLOGN-RYUDHWBXSA-N 359.411 0.672 0 50 FCAA Cc1cc(O)c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)Cc2ccoc2)nn1 1875332520 WDJRHNSBLHQTLQ-KGLIPLIRSA-N 356.382 0.999 0 50 FCAA Cc1nc(C(=O)N2CC(=O)NC3(CC3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403797 DAFKBOWJQTUJTB-CQSZACIVSA-N 372.473 0.338 0 50 FCAA O=C(NCCn1ccnn1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356140922 RXDCUFIRCAAIMY-WTANOLMUSA-N 366.425 0.726 0 50 FCAA N=c1nc(N2CC[C@]3(C2)C(=O)N(CCO)c2ccccc23)c2nc[nH]c2[nH]1 2356163613 KTBOBSLFWGWJDR-GOSISDBHSA-N 365.397 0.252 0 50 FCAA Cn1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc(=O)n(C)c1=O 1425233 QJZPOJMIPJNFLK-UHFFFAOYSA-N 356.382 0.572 0 50 FCAA OC[C@@H]1O[C@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 3874445 LGZYEDZSPHLISU-OGIUKLMXSA-N 371.397 0.092 0 50 FCAA biogenic CCN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1 19527822 NVKTVDVOQZCFKN-UHFFFAOYSA-N 353.488 0.655 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCc1ccccc1 20547422 PSFKOHVQNZWSGP-UHFFFAOYSA-N 369.425 0.498 0 50 FCAA Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2C)n(C)c1=O 38142778 KCJCXYWRBBZWRN-UHFFFAOYSA-N 359.411 0.702 0 50 FCAA CN1CCN2CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C[C@H]2C1=O 72470648 IEHCWUFJRBEBHM-KRWDZBQOSA-N 359.470 0.989 0 50 FCAA CCCN1C(=O)CC[C@H]2CN(S(=O)(=O)N3CCN(C)CC3)CC[C@H]21 72474782 LCLYPYKANIXGHZ-LSDHHAIUSA-N 358.508 0.202 0 50 FCAA Cc1[nH]c(-c2ncccn2)nc(=O)c1CC(=O)N1CCCC[C@@H]1[C@@H](C)N 121865004 JIVKNNKYPMAZIC-BXUZGUMPSA-N 356.430 0.806 0 50 FCAA O=C(Cc1ccc(F)cc1Cl)N1CCN(C(=O)Cn2cnnn2)CC1 134908383 OQYBSOQIVPTQIG-UHFFFAOYSA-N 366.784 0.379 0 50 FCAA Cc1cn(CC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c(=O)[nH]c1=O 216057442 JDILHKZKUGZXRA-CYBMUJFWSA-N 356.382 0.362 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2COCC[C@H]2OC)cc1 223514981 VSWUKNJRUDUMRB-HUUCEWRRSA-N 356.444 0.447 0 50 FCAA CC(=O)N1CCN(C(=O)c2nnn3cc(-c4ccccc4)nc(O)c23)CC1 263616646 JXOIPKAJTGCCNE-UHFFFAOYSA-N 366.381 0.801 0 50 FCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 299749318 JXVMXQGYKVQXBX-QWRGUYRKSA-N 366.336 0.880 0 50 FCAA O=C(O)C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCO1 299753950 ZYOYIFYLZLIHED-NSHDSACASA-N 361.803 0.816 0 50 FCAA Cc1ccc([C@H](CNC(=O)CCNS(C)(=O)=O)N2CCOCC2)o1 299760860 PTPDCVBZYHUACD-ZDUSSCGKSA-N 359.448 0.017 0 50 FCAA CN(C)C(=O)c1cccc(N2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)n1 299768743 MJUJZKWTJGPCAP-NWDGAFQWSA-N 358.402 0.607 0 50 FCAA O=C1NCCN(C(=O)CC2CCN(Cc3ccccc3)CC2)[C@@H]1CCO 299768934 ROLRVHOKRRNJTN-GOSISDBHSA-N 359.470 0.998 0 50 FCAA CCN1CCNC(=O)[C@H]1CC(=O)NCc1nc(Cc2cccs2)no1 299780531 TVEYWXXSVDYBRT-GFCCVEGCSA-N 363.443 0.549 0 50 FCAA Cc1nc(-c2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)no1 299785511 SWBVBXUZRGYYSI-UHFFFAOYSA-N 357.370 0.992 0 50 FCAA CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cc1 330628599 LUDJMOSZFCAWSE-DIOULYMOSA-N 368.455 0.639 0 50 FCAA N=C(O)[C@@]1(O)CCCN(C(=O)c2cnn3cc(Br)cnc23)C1 331938614 FLZFLOODBFFSHR-CYBMUJFWSA-N 368.191 0.994 0 50 FCAA Cc1cc(O)nc2ccc(S(=O)(=O)NCCN3CCNCC3)cc12 828907267 JIFACYNROBEPKQ-UHFFFAOYSA-N 350.444 0.432 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)Cc2ccc3c[nH]nc3c2)C1 886084848 LGNKNNPETWLNSJ-SFHVURJKSA-N 354.414 0.830 0 50 FCAA O=C(c1ccco1)N1CCCN(C(=O)[C@@H]2CCCCn3nnnc32)CC1 1506406656 FXYZHXFLFXZBLR-CYBMUJFWSA-N 358.402 0.908 0 50 FCAA O=C1CO[C@H](C(=O)N2CCN(c3cnccn3)CC2)[C@@H](c2ccccc2)N1 1529172128 JQWJRODPFFGUEY-MSOLQXFVSA-N 367.409 0.382 0 50 FCAA Cc1ncc(CC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)c(O)n1 1565528050 HMBMIJYLXSRCIL-HOTGVXAUSA-N 358.398 0.919 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704339759 LYZWMVQGLQDQPA-CJNGLKHVSA-N 368.393 0.148 0 50 FCAA CN1CCOC2(CCN(S(=O)(=O)c3ccc(O)c(C(=O)O)c3)CC2)C1 1772811780 YZBWGHMNWROJDN-UHFFFAOYSA-N 370.427 0.576 0 50 FCAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(Cc3c[nH]nc3C(=O)O)CC2)C1 1775983315 KDXZLFCXFDFOMB-CQSZACIVSA-N 363.418 0.943 0 50 FCAA Cc1c(-c2nc(CC(N)=O)nn2C[C@@H]2COCCO2)nc2ccccn12 1857675563 DIBDNDJHBWFQGX-GFCCVEGCSA-N 356.386 0.344 0 50 FCAA CS(=O)(=O)CCC(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857677996 ICYYJRDXWGIOMT-KRWDZBQOSA-N 366.439 0.697 0 50 FCAA COCCC[C@@]1(CO)CN(C(=O)c2cnn3cc(C)cnc23)CC[C@H]1O 1857735197 MFCCHNHXYTVHMU-QAPCUYQASA-N 362.430 0.650 0 50 FCAA O=C1CC[C@H](N2Cc3c(NC(=O)[C@H]4CCCO4)cccc3C2=O)C(=O)N1 1857797890 CMOQCSZQZJTSAF-UONOGXRCSA-N 357.366 0.565 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)NCc1cccc(F)c1 1940198329 FYEUSXUHCUWOQF-GXTWGEPZSA-N 359.423 0.531 0 50 FCAA 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366.491 0.969 0 50 FCAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)CNS(C)(=O)=O)CC2)cn1 328652386 WLGRPKRWXFHKHV-ZDUSSCGKSA-N 369.491 0.490 0 50 FCAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 328979385 XJILKCOZXGYZFU-GPMSIDNRSA-N 370.457 0.799 0 50 FCAA O=S(=O)(NC[C@]1(N2CCOCC2)CCCOC1)c1ccccc1F 363840074 AXNCFGNTDMGDHU-MRXNPFEDSA-N 358.435 0.985 0 50 FCAA C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)N=c1cc[nH]cc1 886024601 NBHVZYKBEGLFBG-AWEZNQCLSA-N 354.414 0.757 0 50 FCAA CO[C@@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccc(=O)n(C3CC3)c2)C1 952851429 LDNRIKRVSNDSJS-LSDHHAIUSA-N 357.414 0.892 0 50 FCAA CN1CC(N2C[C@H](C(=O)NCCc3ccc(F)c(F)c3F)CC2=O)C1 952888919 ZQHAMSKKMBYWPK-LLVKDONJSA-N 355.360 0.925 0 50 FCAA COCCn1cnnc1CN(C)S(=O)(=O)N(C)Cc1ccccc1 952985809 AMYJBNGJYXGSLT-UHFFFAOYSA-N 353.448 0.733 0 50 FCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)[C@@H](C)CC(N)=O 952987032 IOLUPOASIYALSH-NSHDSACASA-N 352.416 0.765 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2cccc(O)c2)C[C@@H]1O 1529173567 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CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)c1 4197143 FDPWBZONXWFONB-JSGCOSHPSA-N 370.427 0.377 0 50 FCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccnc3)c2)CC1 35471732 PDJSYXZQWALVER-UHFFFAOYSA-N 374.466 0.948 0 50 FCAA Cc1ccc(-c2ccnc(N3CCN4C(=O)CNC(=O)[C@@H]4C3)n2)c(C)n1 71752861 VEPMMIZPFYKPOF-HNNXBMFYSA-N 352.398 0.302 0 50 FCAA O=C(CN1CCC[C@H](O)C1)N1CCN(c2ncnc3ccccc23)CC1 72412437 WKMAXVVZQXICSQ-HNNXBMFYSA-N 355.442 0.735 0 50 FCAA CCn1c(N)nc2cc(C(=O)NCC3(CN4CCN(C)CC4)CC3)cnc21 77438498 DDVNREICZNRFEG-UHFFFAOYSA-N 371.489 0.791 0 50 FCAA COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cc1O 77486817 UBNFWIKGAUTBCU-GDBMZVCRSA-N 371.393 0.801 0 50 FCAA O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91707902 ZJXMMKYBKPTKJB-GASCZTMLSA-N 363.389 0.953 0 50 FCAA Cc1nc(CNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)no1 95508472 DCXNKCLRRFFJCW-UHFFFAOYSA-N 368.401 0.239 0 50 FCAA Nc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n[nH]1 95519127 ZVMGLJHSYJKPLL-UHFFFAOYSA-N 369.429 0.641 0 50 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BSTWPMRSOMQGPP-RHSMWYFYSA-N 374.445 0.924 0 50 FCAA CC(=O)NCc1cc2n(n1)CCN(Cc1cc(=O)n3cccc(C)c3n1)C2 426716873 LSFWJAWGVUXKNG-UHFFFAOYSA-N 366.425 0.851 0 50 FCAA COc1nccnc1N1CCOC2(CCN(C(=O)c3ccnnc3)CC2)C1 824853292 ZEAAEGQFISQNIM-UHFFFAOYSA-N 370.413 0.787 0 50 FCAA CC[C@@H](CNS(=O)(=O)c1ccc(C(=O)NC)cc1)N1CCN(C)CC1 1506396767 XTKTWAMXMIJECH-HNNXBMFYSA-N 368.503 0.351 0 50 FCAA CN(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)Cc1ccccn1 1506396964 PXIAAQBUVLXYIM-UHFFFAOYSA-N 360.458 0.611 0 50 FCAA COCC(=O)N1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)[C@@H](O)C1 1565508174 VLLYLPQFTMMEGO-STQMWFEESA-N 356.806 0.687 0 50 FCAA COc1ccc(/C=C/CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1565514872 HYZPQMRNDHHDDU-XLYSIVADSA-N 369.487 0.540 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc4cccc(C)n4c3=O)C[C@@H]2O)n[nH]1 1704343873 KLDSGSFJXKPRAQ-CJNGLKHVSA-N 367.409 0.710 0 50 FCAA CS(=O)(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCCO)cc12 1857683516 HXKBWMHUCWZXKJ-UHFFFAOYSA-N 374.484 0.294 0 50 FCAA Cc1[nH]cc(C(=O)N2CCN(CCO)C[C@H]2C)c(=O)c1Br 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Cc1ccnc(NCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)c1 72152415 ZUAKDZYKPPODEX-INIZCTEOSA-N 371.441 0.902 0 50 FCAA O=C([C@@H]1COCCO1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72426872 UFPRHADWUPIODK-HNNXBMFYSA-N 359.382 0.854 0 50 FCAA CN(C)C(=O)NC[C@@]1(O)CCCN(C(=O)CCc2csc(N)n2)CC1 72478020 DNPORZGKEWMMHY-MRXNPFEDSA-N 369.491 0.673 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3CCC(N4CCOCC4)CC3)cnc21 77485551 IIWKBGFZJLWDBI-UHFFFAOYSA-N 358.446 0.970 0 50 FCAA CCCN1CCCn2nc(CNC(=O)Cc3cnc(C)[nH]c3=O)cc2C1 82093613 AUUMAPZGTQCLDO-UHFFFAOYSA-N 358.446 0.749 0 50 FCAA O=C(Cc1ccc(O)c(F)c1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91780580 DLDVQNNFFQBZSF-HZPDHXFCSA-N 366.433 0.863 0 50 FCAA Cc1cnc(C)c(N2CCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)n1 91893335 BGJDYLCQHMJQSK-CYBMUJFWSA-N 360.418 0.025 0 50 FCAA COCCN1CC[C@@]2(CCC1=O)CN(C(=O)N1CCCC1)CCN2C 91943053 GXWPBTCOACEMEY-SFHVURJKSA-N 352.479 0.847 0 50 FCAA Cc1cc(=O)n(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccn3)C2)nc1C 92022515 ZUAJISFHJZPGNX-ZIAGYGMSSA-N 356.382 0.582 0 50 FCAA 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372.830 0.815 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCN(c3nsc4ccccc34)CC2)NC(=O)N1 299766584 DBYPRVQONXWKEQ-LBPRGKRZSA-N 373.438 0.933 0 50 FCAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCN(Cc2nonc2C)CC1 299799190 DQSHQCLKYOYJTC-MRXNPFEDSA-N 360.414 0.771 0 50 FCAA O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@@H]1Cn1cncn1 363280925 TXQARWXNXMZAOX-MRXNPFEDSA-N 355.446 0.486 0 50 FCAA CCN(CC)c1nc(N)cc(-c2cccc(C(=O)N[C@@H]3CNC[C@H]3O)c2)n1 534590022 HAGGLRDVSBZGTD-HZPDHXFCSA-N 370.457 0.635 0 50 FCAA CCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H]1c1nccn1C 886027096 DZODEHUDOUJEET-JKSUJKDBSA-N 358.446 0.755 0 50 FCAA COCCC1(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)CCCC1 886097031 RVABAMXUBROMDP-SFHVURJKSA-N 354.447 0.971 0 50 FCAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1 1449508232 QPNJHCZTUSLPKY-AWEZNQCLSA-N 366.443 0.599 0 50 FCAA Cc1cncc(C(=O)N2CCCN(C(=O)Cn3nc(C)cc3N)CC2)c1 1529174222 QTHUQHBCVRJLNP-UHFFFAOYSA-N 356.430 0.852 0 50 FCAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(Cc3nc(C(N)=O)no3)CC2)C1 1529199133 VZCWPQSERVMYOH-GFCCVEGCSA-N 364.406 0.004 0 50 FCAA O=C(O)c1n[nH]c2c1CN(C(=O)c1cn(CC[C@@H]3CCCCN3)nn1)CC2 1857675912 LPIYKZIPNGOQLI-NSHDSACASA-N 373.417 0.430 0 50 FCAA CCOc1ccc(CC(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1 1857722094 BGQOSKZBGLWSNP-BBWFWOEESA-N 366.483 0.813 0 50 FCAA Cc1ccc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c(=O)n1C 1857741330 NTVWJUGQQBVFHT-KHYOSLBOSA-N 359.426 0.892 0 50 FCAA Nc1cncc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)c2cnn[nH]2)C3)c1 1875406505 GAMIRGJMESIFKM-UEKVPHQBSA-N 355.402 0.453 0 50 FCAA Cc1cc(S(=O)(=O)N2CCO[C@H](c3nnnn3C)C2)c2ncccc2c1 2356153791 VDOBSIYPQKYEEF-ZDUSSCGKSA-N 374.426 0.829 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOc2cccnc2)o1 15070207 NWVJSTXBMBMTKX-KRWDZBQOSA-N 372.425 0.869 0 50 FCAA COC(=O)[C@@H]1C[C@H](NC(=O)CCn2cnc3ccccc3c2=O)CN1C 65527524 ZVJSDVASWSHELP-WFASDCNBSA-N 358.398 0.149 0 50 FCAA COCCCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77298327 JDQUQRFDWJWORU-UHFFFAOYSA-N 351.495 0.988 0 50 FCAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2cc3n(n2)CCNC3)cc1 82162152 IFSIEQLKFKXFNI-UHFFFAOYSA-N 363.443 0.678 0 50 FCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCN1CCC(c2ccccc2)CC1 91551598 KDGXKGXELPJIDL-INIZCTEOSA-N 358.442 0.970 0 50 FCAA O=C(O)[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)C1CC1)C2 91645972 IELNKVANLJEFRV-RHSMWYFYSA-N 350.440 0.997 0 50 FCAA Cc1c([C@H](C)NS(=O)(=O)c2ccc(C(=O)NCCO)cc2)cnn1C 91745362 FEWUNOLCKBEQHZ-NSHDSACASA-N 366.443 0.490 0 50 FCAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ncccc1O)C2 91747065 GINZKQJHBAEUPS-QWHCGFSZSA-N 353.382 0.954 0 50 FCAA CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3ccn(C)c3c2)CC1 95382068 IQEFUHXFCQRQPD-UHFFFAOYSA-N 350.444 0.743 0 50 FCAA Cn1ccnc1CN(CCO)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 96153341 BUHUPPQOVVMCOI-UHFFFAOYSA-N 358.402 0.637 0 50 FCAA CC(C)n1cnc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 151639434 ZEQRXJXDBZXINZ-ZDUSSCGKSA-N 369.491 0.437 0 50 FCAA COCc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)o1 212038859 OEFZJLYPQWNUKE-GJZGRUSLSA-N 359.382 0.826 0 50 FCAA COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)cc(Cl)c1OCC(=O)O 215164934 CMTMMVBEYSXTMM-STQMWFEESA-N 358.822 0.919 0 50 FCAA CCCc1ncncc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 215548523 TXMLVMJFQVURBD-UONOGXRCSA-N 373.457 0.580 0 50 FCAA CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2nonc2C)cc1 219214034 KMHMHQMDSCLGQU-UHFFFAOYSA-N 354.388 0.948 0 50 FCAA O=C(NCCn1cccn1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 221377184 SUSAHFPJSXUEIK-OAHLLOKOSA-N 366.418 0.992 0 50 FCAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ncccc3Br)C2)N1 231764095 FEAFGYGHHPACSX-ZDUSSCGKSA-N 353.176 0.658 0 50 FCAA O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1C[C@@H](O)CN1 238007594 SNELLBPHURRSPY-BZUAXINKSA-N 353.850 0.552 0 50 FCAA O=C(NCC1C2CC3CC(C2)CC1C3)c1cc2n(n1)C[C@H](O)CNC2=O 244724219 MQBTVRLYWNOLTL-DUTNFGBUSA-N 358.442 0.790 0 50 FCAA CC(C)CCN(C)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248072574 BEPQTQLPAOHIPY-KGLIPLIRSA-N 353.492 0.534 0 50 FCAA O=C(O)[C@H]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 262683040 UAWPPYBDOWQWIF-HNNXBMFYSA-N 371.393 0.382 0 50 FCAA O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]1OCCc2ccccc21 269738724 ZRQZLRKWFTYMJK-SFHVURJKSA-N 370.409 0.994 0 50 FCAA CS(=O)(=O)N1CCC(C(=O)N2C[C@H](C(=O)O)c3ccccc32)CC1 281256410 AGXGJWCTCUFLKV-ZDUSSCGKSA-N 352.412 0.873 0 50 FCAA CN1CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCC1=O 299770115 LONPAPRIXWAHAQ-UHFFFAOYSA-N 360.823 0.683 0 50 FCAA O=C(NCc1cc(C2CC2)[nH]n1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 299775981 MWFCKEQFIJTSQF-OAHLLOKOSA-N 366.487 0.802 0 50 FCAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCO[C@@H](CN2CCCC2)C1 299790732 CFPPITDZPPAKGD-SFHVURJKSA-N 370.457 0.918 0 50 FCAA Cn1ccnc1N1CCC(NC(=O)c2ccc(-n3cnnn3)cc2)CC1 373015290 RGMBWDKUKUQQJC-UHFFFAOYSA-N 352.402 0.795 0 50 FCAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)CCCN3CCOCC3)C2)n1 426489613 JUBVYRJVIBUGFG-OAHLLOKOSA-N 364.446 0.786 0 50 FCAA Nc1cc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)nc(N2CCOCC2)n1 426536548 SJWCEMJNCLYBIR-OAHLLOKOSA-N 369.425 1.081 0 50 FCAA CC(=O)N1C[C@H](C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)Oc2ccccc21 922466285 HIKGVOPTZULWLA-XYPHTWIQSA-N 357.410 0.928 0 50 FCAA CCCNc1ncc(CN2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)cn1 1565510758 FSHIBEYMANMRHU-HOCLYGCPSA-N 371.445 0.454 0 50 FCAA O=C1O[C@H]2CN(c3ncccc3F)C[C@H]2N1CCCN1CCOCC1 1565512148 GNCNBVVVAWHQCI-CABCVRRESA-N 350.394 0.952 0 50 FCAA CCc1ncc(C(=O)N2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)cn1 1565515174 RWTDTRAZSCJLFD-KGLIPLIRSA-N 369.491 0.532 0 50 FCAA Cc1ccc(CCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704316331 YHERQCCZZQKDKH-JKSUJKDBSA-N 354.472 0.950 0 50 FCAA COc1ccc2[nH]nc(CN3C[C@H]4[C@H](N(C)C)CS(=O)(=O)[C@H]4C3)c2c1 1857710865 UPVMXBSDRWHTOE-XKQJLSEDSA-N 364.471 0.731 0 50 FCAA O=C1CN(c2ccc(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)cc2)C(=O)N1 1857727531 SHTZMJUZCMYYPF-BYCMXARLSA-N 359.382 0.355 0 50 FCAA COc1cc2nc(N3CCN4[C@@H](C)COC[C@H]4C3)[nH]c(=N)c2cc1OC 1875243844 AKCLJBFBEGTPDG-NWDGAFQWSA-N 359.430 0.969 0 50 FCAA Cc1cc(O)c(C(=O)N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@@]45CCOC5)[C@H]3C2)nn1 1875331972 HLJUVZALUKDKKC-HZKOEDQFSA-N 358.398 0.104 0 50 FCAA COc1c(Cl)cccc1S(=O)(=O)NS(=O)(=O)[C@@H]1CCOC1 1875335594 XFBIRVWELZKUCO-MRVPVSSYSA-N 355.821 0.746 0 50 FCAA CCOCCn1c(-n2nc(CC)cc2CC)nc2c1c(=O)[nH]c(=O)n2C 12518801 FGSZNOGEZXEREL-UHFFFAOYSA-N 360.418 0.770 0 50 FCAA CC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)CC1 12710624 QJHWAVDOKVFKIX-QGZVFWFLSA-N 364.490 0.448 0 50 FCAA C[C@H](Cc1ccsc1)NC(=O)Cn1nnnc1CN1CCOCC1 14958215 AGMMCXPNTCOBIW-GFCCVEGCSA-N 350.448 0.314 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cn2ccccc2n1 28834629 VSQUSFMMIZNJCK-UHFFFAOYSA-N 360.395 0.920 0 50 FCAA CCc1c(C)cc(C(=O)N2CCn3nc(C(=O)OC)cc3C2)c(=O)n1C 65462734 JHAILTSUWCNCAG-UHFFFAOYSA-N 358.398 0.895 0 50 FCAA CN1CCN(C)C2(CCN(C(=O)[C@@H](c3ccccc3)n3cnnn3)CC2)C1 67713875 UUJYCLMLCJSFCP-QGZVFWFLSA-N 369.473 0.501 0 50 FCAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)C1(C(N)=O)CC1)C2 71388596 AEROVOWJPFXQJC-UHFFFAOYSA-N 366.425 0.755 0 50 FCAA O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@@](O)(CO)CC1 72156638 NFTMQCWJKZREJF-INIZCTEOSA-N 351.428 0.770 0 50 FCAA COCCN1C[C@]2(CCCN(C(=O)Cn3ccccc3=O)C2)CCC1=O 77354420 MGLMPFJNYQAJCL-LJQANCHMSA-N 361.442 0.726 0 50 FCAA CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(CN(C)S(C)(=O)=O)o1)C2 77407861 BWYJCGLYAJRTDH-QWHCGFSZSA-N 355.460 0.724 0 50 FCAA Cc1nnc(SCC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)o1 91289279 BVOFULDZZBYCGM-OAHLLOKOSA-N 354.432 0.304 0 50 FCAA Cc1[nH]ccc1C(=O)N1CCn2nc(CCC(=O)N3CCOCC3)cc2C1 91526901 WQXZCHAVYPZEKJ-UHFFFAOYSA-N 371.441 0.967 0 50 FCAA CC(=O)NCCOc1ccc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)cc1 91943682 ZEOADNTZKFHVAL-IBGZPJMESA-N 359.426 0.944 0 50 FCAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)N1CCOCC1)CC2 91973870 NSDFRZHHVHPAGD-CYBMUJFWSA-N 353.419 0.616 0 50 FCAA CC(C)c1cc(C(=O)N2C[C@@H](CO)C[C@H](CN3CCOCC3)C2)[nH]n1 92027950 VLLJZCDFAXYUKD-CABCVRRESA-N 350.463 0.936 0 50 FCAA CN1C(=O)[C@@H](CC(=O)NCc2cnn(Cc3ccccc3)c2)N(C)C1=O 92097823 KLWJWWGWETZUOT-OAHLLOKOSA-N 355.398 0.830 0 50 FCAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)N(C)Cc3noc(C)n3)C2)cn1 95377971 ZJEKZRNTAJCYNR-UONOGXRCSA-N 372.429 0.904 0 50 FCAA CC(=O)N1CCC[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 95391267 CJQYOQVFDGXVTQ-CYBMUJFWSA-N 356.419 0.974 0 50 FCAA COCC(=O)N1CCC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1 95498936 DJUCQGYFCWCNQN-CYBMUJFWSA-N 358.402 0.164 0 50 FCAA Cc1nc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)nc2c1CCCC2 219734961 MBSLOLYYTJTCDX-ZDUSSCGKSA-N 366.487 0.399 0 50 FCAA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc(OC)nc2)C1 222998954 BAVAPTFNQHGNHX-BETUJISGSA-N 361.402 0.496 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCCN3CCNCC3)ccc21 244828528 TXUKBVWPOJDSAO-UHFFFAOYSA-N 372.473 0.045 0 50 FCAA C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N1CCS(=O)(=O)CC1 264519349 DRGQJACCDJUKHD-LLVKDONJSA-N 350.396 0.808 0 50 FCAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1nc[nH]n1 266793928 WZDBZYAYCUDGEX-QWRGUYRKSA-N 357.370 0.806 0 50 FCAA Cc1ccn(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c(=O)c1 285395754 XLTDSEOJPNNXEQ-FZKQIMNGSA-N 357.414 0.369 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@H](O)C1 299757580 HHLZQYKKQQGDAC-NVXWUHKLSA-N 358.442 0.281 0 50 FCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1cccc(N2CCCS2(=O)=O)c1 332961179 XHGNARMODWZGCB-CABCVRRESA-N 363.439 0.720 0 50 FCAA Cn1cnc(S(=O)(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 333523701 WORHHICKDWFNRV-PHIMTYICSA-N 357.338 0.911 0 50 FCAA C[C@H](NC(=O)CN1CCS(=O)(=O)[C@@H](C)[C@H]1C)C(=O)N1CCCCC1 408194932 ZAHBHASGDUBROK-MJBXVCDLSA-N 359.492 0.011 0 50 FCAA Cc1cc2cccc(C(=O)N[C@@H]3CCN(CC(=O)N(C)C)C[C@H]3O)c2o1 426667336 ACKBBYSOGNJDLB-HZPDHXFCSA-N 359.426 0.994 0 50 FCAA Cc1c[nH]ccc1=NCCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 534574558 VCTZVGQSUXPRCA-UHFFFAOYSA-N 374.489 0.173 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)CCn2cc(Cl)cn2)C1 886094670 BUSLHSXMWBSJBS-HNNXBMFYSA-N 352.826 0.651 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)C1 952976218 VBFMIGHMKNFGLX-SQNIBIBYSA-N 356.470 0.669 0 50 FCAA CN(C[C@@H]1CCCN(CCO)C1)S(=O)(=O)c1ccc2nc[nH]c2c1 952983518 UGSBFLSBQCAZJL-ZDUSSCGKSA-N 352.460 0.888 0 50 FCAA COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(C)n2)CC1 1529145262 FXYRAGJBASNWKV-AWEZNQCLSA-N 364.450 0.768 0 50 FCAA CN(Cc1cc(Cl)ccc1OCC(=O)O)[C@@H]1CS(=O)(=O)C[C@H]1O 1529189330 MFTJBQXPXHIHLE-VXGBXAGGSA-N 363.819 0.393 0 50 FCAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565513014 UKDZVSAUTPFBJU-STQMWFEESA-N 352.416 0.638 0 50 FCAA COc1cccc([C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C(=O)O)c1OC 1616104018 QASFGWXKMIHFGH-OLZOCXBDSA-N 357.428 0.848 0 50 FCAA CC(=O)NC[C@H]1[C@H]2CN(Cc3nc(O)c4cnn(C)c4n3)C[C@]23CC[C@H]1O3 1704337861 FXJNQOAHOGBJOR-VMXFXAJASA-N 372.429 0.184 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccc(Cl)cn3)C[C@H]2CO1 1857687959 NFEKRRWBUCNXIN-IHRRRGAJSA-N 366.849 0.785 0 50 FCAA O=C(Cn1cccn1)N[C@H]1C[C@H](C(=O)NCCCc2ccccn2)C[C@@H]1O 1875251576 WRBHHRJWYZWXCL-XIRDDKMYSA-N 371.441 0.283 0 50 FCAA O=C1CC[C@H](C(=O)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)N1 1875344541 HRYGQWJKNUBNOR-MRXNPFEDSA-N 352.394 0.798 0 50 FCAA CCOCC(=O)N[C@H](C)[C@]1(O)CCN(C(=O)c2cccc(O)c2F)C1 1875357087 YGDLMIDWMMUZBG-DIFFPNOSSA-N 354.378 0.650 0 50 FCAA COc1nc(N2CCC(O)(Cn3ccnn3)CC2)ncc1Br 2325713633 KKDIODRBZDKJDN-UHFFFAOYSA-N 369.223 0.871 0 50 FCAA O=C(c1cn(Cc2cccc(F)c2)nn1)N1CC(=O)N2CCOC[C@H]2C1 2325786837 IACXVYYKRNWBDA-CQSZACIVSA-N 359.361 0.149 0 50 FCAA C=CC(=O)N1CCC(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 2325883267 KEGULNHDGFCEBZ-UHFFFAOYSA-N 355.398 0.934 0 50 FCAA O=C(c1cncc(=O)[nH]1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356137287 IYNKXZNMBBHOQA-NJSLBKSFSA-N 374.441 0.671 0 50 FCAA O=C(NCCn1cnnn1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356146116 SJDONYAEFBZBDI-DFHBCGBQSA-N 367.413 0.121 0 50 FCAA COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 14291885 QKYBKBKXJGXASK-UHFFFAOYSA-N 370.427 0.189 0 50 FCAA O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 20075737 HUADQHFXAJSXTG-UHFFFAOYSA-N 362.430 0.228 0 50 FCAA Cn1c(CO)nnc1CC1CCN(C(=O)c2cc3ncccn3n2)CC1 55385815 VGAGKTSWTFDJHZ-UHFFFAOYSA-N 355.402 0.445 0 50 FCAA CCSc1nnc(-c2ccccc2NC(=O)CS(C)(=O)=O)c(=O)[nH]1 55414968 IIBRMBGUXDYKLR-UHFFFAOYSA-N 368.440 0.927 0 50 FCAA Cc1cc(C)n2nc(CC(=O)N3CCCn4nc(C(=O)O)cc4C3)nc2n1 65382278 OEAZKDVIGGGCHX-UHFFFAOYSA-N 369.385 0.611 0 50 FCAA CCc1nnc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)s1 71748129 DNUNLDHIEKRBQA-JTQLQIEISA-N 351.432 0.652 0 50 FCAA COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cn3c(n2)CNCC3)C1 72122382 RRLCLPXEFMRFFM-LJQANCHMSA-N 354.410 0.943 0 50 FCAA O=C1NC(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4C3)CC2)N1 72433002 FYOJFNTZOQPPIV-INIZCTEOSA-N 356.426 0.634 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnn(C)c2C)[C@H]3C1=O 77453897 AAMHMOBCBLPNRH-RCJHGTSTSA-N 374.441 0.115 0 50 FCAA CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccsc3)cc2C1 91505907 JEMIPMFKAGMFDD-UHFFFAOYSA-N 368.484 0.969 0 50 FCAA CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 91620048 AYXYACKADDLZJS-LLVKDONJSA-N 360.418 0.367 0 50 FCAA O=C(CC[C@H]1NC(=O)NC1=O)NCCc1csc(-c2cccnc2)n1 91644149 HXIWQYNPCMTPJK-GFCCVEGCSA-N 359.411 0.852 0 50 FCAA Cc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)s1 91781566 DXMPYAXQIUAPKV-QWHCGFSZSA-N 364.471 0.911 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cnc3ccccn13)C2 92038958 NSJAZKWTPZOXNH-UONOGXRCSA-N 362.455 0.759 0 50 FCAA CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCCn3nnnc31)C2 97694797 YJBYGDJCCAVHDG-NSHDSACASA-N 360.443 0.947 0 50 FCAA COc1ccnc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)n1 215543513 NMVILVQAKPQCRZ-UHFFFAOYSA-N 355.398 0.625 0 50 FCAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccn2nnnc2c1 223678294 ZSGFUMMWPMRDLL-HUUCEWRRSA-N 354.370 0.623 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 252536089 HOZJAOSGGJVYMH-HAQNSBGRSA-N 353.386 0.837 0 50 FCAA COc1cc2nc(C)n(CC(=O)N[C@H](CO)C(C)C)c(=O)c2cc1OC 253413720 VNMXRVHUYGLRAP-CQSZACIVSA-N 363.414 0.855 0 50 FCAA biogenic O=C(NCC(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(Br)c1 261919518 HQRCJCPTMADDGD-LLVKDONJSA-N 371.187 0.491 0 50 FCAA NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)O1 268419167 GCWLCLWEWLJTRB-IUODEOHRSA-N 373.413 0.692 0 50 FCAA O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)C(=O)N1C[C@@H](O)C[C@H]1CO 276241782 YLBHRYSMLHYOBI-KBPBESRZSA-N 372.381 0.507 0 50 FCAA CN(C)S(=O)(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 288107740 BJIRPEFMOTXKQS-UHFFFAOYSA-N 355.338 0.711 0 50 FCAA COCCn1cnnc1CN(C)C(=O)C1CCN(C2CCOCC2)CC1 299764100 SFPHSKKGZGOKCL-UHFFFAOYSA-N 365.478 0.774 0 50 FCAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)n(C)c1C 299792812 GKEZYWMBIJHHCO-OAHLLOKOSA-N 361.442 0.713 0 50 FCAA O=C1N(CCN2CCC[C@@H]2[C@H]2COCC[C@H]2O)C(O)=NC12CCCC2 328643747 AKAHAIFHGBBHPA-RBSFLKMASA-N 351.447 0.917 0 50 FCAA CC(C)NS(=O)(=O)N1CCN(CCCS(=O)(=O)C(C)C)CC1 330497637 ZVSVRIDKULUIEL-UHFFFAOYSA-N 355.526 0.060 0 50 FCAA CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CN(C2CCCCC2)C1 333730015 JRWHGIUIRYJXIK-CQSZACIVSA-N 371.503 0.013 0 50 FCAA Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C(=O)O)C3)CC2=O)c(F)c1 361981069 ILEVGQTYQNXCCL-BXUZGUMPSA-N 350.346 0.799 0 50 FCAA C[C@H]1C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CO1 408490145 ZBJDSEXYSSGAKU-UWVGGRQHSA-N 353.400 0.107 0 50 FCAA CN(CCC(N)=O)C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 426477601 RWLBWMHCIQJZSK-RVSXGSNBSA-N 371.485 0.071 0 50 FCAA CCS(=O)(=O)CCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 584898624 PHOHIEQHZAXFLS-CYBMUJFWSA-N 357.407 0.443 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc(S(C)(=O)=O)c3)C[C@H]2O)n[nH]1 1704353735 QZCIPZWBHIRKML-CZUORRHYSA-N 363.439 0.797 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2CN(CCc3ccccc3)C[C@@]2(CO)C1 1772813692 PBBIKRKRFCJHJS-IRXDYDNUSA-N 353.488 0.262 0 50 FCAA NCc1ccccc1CNC(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775961820 BSNUFVVVZJIWEL-UHFFFAOYSA-N 355.442 0.924 0 50 FCAA O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)C1(n2cncn2)CC1 1857531672 WMYFDCCXPVCBMU-DRZSPHRISA-N 350.810 0.573 0 50 FCAA CCc1ncc(S(=O)(=O)N2CCN(c3ccc(OC)nc3)CC2)[nH]1 1857670033 LYNWPWSHAPHBBY-UHFFFAOYSA-N 351.432 0.887 0 50 FCAA O=C(CCn1cnnn1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857717706 UONRZELYFOAEEQ-RKVPGOIHSA-N 368.397 0.364 0 50 FCAA CCC[C@]1(CO)CCN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C[C@@H]1O 1857724094 LVOGPKWIOMPWCJ-MAUKXSAKSA-N 359.430 0.863 0 50 FCAA Cc1n[nH]c(C)c1CNC(=O)[C@H]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 2100478114 SGXSPQRYQGUWNM-APHBMKBZSA-N 359.430 0.930 0 50 FCAA Cn1ncc2c(NCCNC(=O)c3ccc4c(c3)CCNCC4)ncnc21 2325740328 ZVDQYDVWVRTXPJ-UHFFFAOYSA-N 365.441 0.893 0 50 FCAA CN(CC(=O)NC[C@@H]1NCCc2sccc21)c1ncnc2[nH]cnc12 2325810522 PEMGBMJAIJVNRP-NSHDSACASA-N 357.443 0.854 0 50 FCAA Cn1ncc(C(=O)N2CCN(C(=O)C3(CO)CC3)CC2)c1Br 2325828612 MLYBFACETAGSMZ-UHFFFAOYSA-N 371.235 0.240 0 50 FCAA Cc1nn(S(=O)(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O 1126121 SZGMOQARKQJZSW-UHFFFAOYSA-N 362.411 0.951 0 50 FCAA CCn1nc(C)c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 65405058 DGFACVDZKZTETF-HNNXBMFYSA-N 363.462 0.782 0 50 FCAA O=C(O)c1c(S(=O)(=O)NCc2ccccn2)sc2c1CCNC2 67842953 WLHRUZVEZJPXEW-UHFFFAOYSA-N 353.425 0.966 0 50 FCAA Cc1ccn(CCNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n1 67847005 ACSPGVCAMWTNTP-UHFFFAOYSA-N 370.456 0.575 0 50 FCAA O=S(=O)(Cc1ccccc1Cl)N1CCO[C@@]2(CNCCOC2)C1 72131835 FEZJSOORFLFXSP-HNNXBMFYSA-N 360.863 0.861 0 50 FCAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NCCOc1ccccc1 72162205 LENQPIWSGGMGQL-GOSISDBHSA-N 368.437 0.967 0 50 FCAA Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 72434252 RGIBXSQGHFVFDV-UHFFFAOYSA-N 368.507 0.704 0 50 FCAA CSCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77301683 FOXDIXNZPWGTCT-UHFFFAOYSA-N 353.492 0.716 0 50 FCAA O=C(N[C@@H]1CCN(Cc2cccc3nonc23)C[C@H]1O)c1cccnc1 77523831 ZMMWRLASBWATRT-GDBMZVCRSA-N 353.382 0.983 0 50 FCAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2cnc[nH]c2=O)CC1 77555935 QXWCCTOLIJBFCS-UHFFFAOYSA-N 371.445 0.514 0 50 FCAA Cc1ccc(N2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 82155844 FVXVGRWHOCOAJF-CQSZACIVSA-N 350.440 0.995 0 50 FCAA COCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 91410166 DROUJMMXVHBVRX-UHFFFAOYSA-N 359.434 0.995 0 50 FCAA N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3cccn3)cc2)C1 91604853 JIYIYNGJGUVFKI-AWEZNQCLSA-N 363.443 0.035 0 50 FCAA CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccc(CO)o1 91625480 MAKVXZHHLRYRFL-JSGCOSHPSA-N 358.460 0.647 0 50 FCAA Cn1cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)c(=O)[nH]c1=O 95378139 SSARRPCIMORNKU-CYBMUJFWSA-N 357.366 0.792 0 50 FCAA Cc1n[nH]c(SCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)n1 95522292 RCTWUMKFRGSMJJ-NSHDSACASA-N 363.447 0.293 0 50 FCAA Cc1cccc(CCN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95523641 IUGOPSAABPUIPJ-DLBZAZTESA-N 363.483 0.652 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)COC(C)C)CN1Cc1cccnc1N 96147944 TUFIKPFLNAWQIF-GJZGRUSLSA-N 363.462 0.284 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)on2)CN1C(=O)CSC 96164310 CQVGIRLHQFLHBK-JQWIXIFHSA-N 354.432 0.181 0 50 FCAA CC(C)N1CCC(CC(=O)N2CCc3c([nH]n(CCO)c3=O)C2)CC1 97213086 VZKVFMOVIOISPG-UHFFFAOYSA-N 350.463 0.564 0 50 FCAA Cc1cccc(=O)n1CCC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O 97653992 QJHOQYLEXSGIQH-OAHLLOKOSA-N 369.487 0.867 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1nnnn1-c1ccccc1)C2 213349696 GXBGRRZICXMEDQ-HIFRSBDPSA-N 369.429 0.178 0 50 FCAA CN(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216965183 LAQSOQRTYQKVGL-CVEARBPZSA-N 362.455 0.523 0 50 FCAA Cc1cnn([C@H](C)C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1 244898912 ZDVQHXYQGOOPCF-CQSZACIVSA-N 368.503 0.910 0 50 FCAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)C(=O)O)cc1 262524760 NGIXSSCIBJDGOI-NXEZZACHSA-N 371.415 0.149 0 50 FCAA COc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)c3nc[nH]n3)C2=O)cc1 272337539 LUJQQLLECBLVPQ-BXUZGUMPSA-N 358.402 0.975 0 50 FCAA Cn1cc([C@@H]2CN(CC(=O)NCc3ccccc3)C[C@@H]2CC(=O)O)nn1 299756171 IVZFXTXAYUYBHH-LSDHHAIUSA-N 357.414 0.622 0 50 FCAA CC1CCC(O)(CN2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)CC1 328630104 IZPYAKFRBIHBOK-KOHRHEQBSA-N 364.490 0.859 0 50 FCAA CC(C)Oc1ncccc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 333288305 NYLQUTQOHDDFLD-KBPBESRZSA-N 354.428 0.897 0 50 FCAA CC1CCC(NS(=O)(=O)CC(=O)N2CC(F)(F)C[C@H]2CO)CC1 372547459 NPOPPZDLOLGSSU-MCIGGMRASA-N 354.419 0.713 0 50 FCAA CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 390832770 LACILHFSHQNZER-HOCLYGCPSA-N 369.487 0.504 0 50 FCAA CCS(=O)(=O)N1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 408179780 IHWKVXJJFRPMID-UHFFFAOYSA-N 361.493 0.757 0 50 FCAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)NCc1ccccc1C(F)(F)F 426533923 XYCRAPMVZBPVRJ-GFCCVEGCSA-N 372.347 0.852 0 50 FCAA CCOc1ncccc1C(=O)NC1CCN(c2cc(O)nc(N)n2)CC1 426602517 NXULHUBNDKEOFK-UHFFFAOYSA-N 358.402 0.957 0 50 FCAA CS(=O)(=O)NCCNC(=O)N[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 584895725 YHJRCQABALYGKT-NSHDSACASA-N 374.850 0.294 0 50 FCAA CN(C)c1ncc(/C=C/C(=O)NCc2nc(-c3cnccn3)n[nH]2)cn1 952971346 CZGLEXYPHRFEOG-ONEGZZNKSA-N 351.374 0.447 0 50 FCAA Cc1cc(C)n(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c(=O)n1 1565505747 QCDWTPBQXSOIJP-GJZGRUSLSA-N 358.398 0.608 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@@H](O)C1 1565511201 YDSPDOLGGWHHDA-IRXDYDNUSA-N 356.426 0.488 0 50 FCAA Cc1cnc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccn3C)C2)cn1 1875242461 UNISPFCBMWFUGY-YSVLISHTSA-N 371.441 0.699 0 50 FCAA COc1ccc(CN2C[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)CC2=O)cc1 1875345682 FSYYISGKZWDAKI-YPMHNXCESA-N 364.354 0.088 0 50 FCAA C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CCN1 1875350510 QACWODFCNRRFQQ-SNVBAGLBSA-N 354.370 0.522 0 50 FCAA Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C 2325807399 XGNZORTVIJXEKI-LSDHHAIUSA-N 372.473 0.940 0 50 FCAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NC[C@H]3CCCO3)c2)C1=O 12002716 LCSVXZDJTDCIFC-BXUZGUMPSA-N 352.412 0.908 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nonc2C)o1 14950087 NKHPFGOKAMDDTB-HNNXBMFYSA-N 361.402 0.629 0 50 FCAA O=C(NCCO)c1cc2n(n1)CCN(Cc1ccc3nsnc3c1)C2 65366000 YAYPNOLMMKFHNJ-UHFFFAOYSA-N 358.427 0.626 0 50 FCAA CCc1ccc(C(=O)N2CCN(C(C)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72411582 QTXGHTCGPIFQGN-CVEARBPZSA-N 350.440 0.719 0 50 FCAA CCN1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1=O 72433623 VJMAMGBHEDJGEJ-GFCCVEGCSA-N 367.475 0.016 0 50 FCAA Cc1cc(=O)cc(C(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)o1 77406574 ZXODONGVYJZWBP-HUUCEWRRSA-N 357.366 0.349 0 50 FCAA CC(C)[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1NS(C)(=O)=O 82134584 XTUKJLHOWVFFSM-UONOGXRCSA-N 368.503 0.945 0 50 FCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1csc(-c2cccnc2)n1 91644150 HXIWQYNPCMTPJK-LBPRGKRZSA-N 359.411 0.852 0 50 FCAA COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN(CC(N)=O)C2)CC1 91808690 JMKKJJFUNRKZBI-QGZVFWFLSA-N 374.485 0.537 0 50 FCAA Cc1ccc([C@@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)N(C)C)cc1 95383028 UTOJFMVTAIWOHU-KRWDZBQOSA-N 367.515 0.787 0 50 FCAA Cc1nonc1CN1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 97823127 NYFSOKODLAAPNY-CVEARBPZSA-N 363.443 0.256 0 50 FCAA O=C(N[C@H]1CC[C@H]1NC1Cc2ccccc2C1)c1c[nH]c2ncnn2c1=O 102765459 UTHPSEHPRAPGPE-CVEARBPZSA-N 364.409 0.435 0 50 FCAA COC(=O)C1=CN(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)N=C1C 169776882 WDKQQBMXXYEOLJ-UHFFFAOYSA-N 373.337 0.982 0 50 FCAA O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H](OCCO)C1 178658353 OBFNGJWWNYJXSH-LBPRGKRZSA-N 359.220 0.611 0 50 FCAA COc1ccccc1-n1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cn1 221199944 FZUYOHAOINODMR-HIFRSBDPSA-N 374.397 0.270 0 50 FCAA COCCn1nnnc1[C@@H]1CN(Cc2nc(-c3cccnc3)no2)CCO1 244811592 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CN1C[C@]2(CCN(C(=O)c3cc4ccccc4n(C)c3=O)C2)OCC1=O 426428103 QFTRHOPQRCNEST-IBGZPJMESA-N 355.394 0.612 0 50 FCAA Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)ccc21 826846961 ROXAGKWEAJSCOE-GHMZBOCLSA-N 351.384 0.230 0 50 FCAA Cc1cccc(OCC(=O)N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)c1C 1704332492 XXPLEIUNMAJWLC-CVEARBPZSA-N 362.426 0.926 0 50 FCAA Cc1cccc(S(=O)(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c1 1857726981 JLJNBOYLCVMPAP-ZNMIVQPWSA-N 358.485 0.343 0 50 FCAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3cc4n(n3)CCCNC4)C[C@H]2CO1 1857727909 FIPXEOWOEXLCCP-ULQDDVLXSA-N 372.473 0.637 0 50 FCAA COCCn1nnc([C@H]2CN(Cc3cn4cc(C)ccc4n3)CCO2)n1 1875243911 DCUBXKTVZHEBDA-OAHLLOKOSA-N 357.418 0.849 0 50 FCAA CN[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350723 YJSNUEWRQFNLOI-LLVKDONJSA-N 368.397 0.912 0 50 FCAA CN(CC(=O)Nc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 2356151717 VHTWBAJERJWZJO-MRVPVSSYSA-N 352.338 0.553 0 50 FCAA CCOC(=O)c1nnn(-c2nonc2N)c1Cn1nnc2ccccc21 2545748 YQTGFLMULQDSMU-UHFFFAOYSA-N 355.318 0.202 0 50 FCAA COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 23128753 QRLQWEWAMUGMCZ-QGZVFWFLSA-N 374.485 0.653 0 50 FCAA O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 44697918 ZGUPQVSHLQGSCX-UHFFFAOYSA-N 367.471 0.940 0 50 FCAA NC(=O)C1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 51186811 LEUHKMNPCWWCCR-UHFFFAOYSA-N 372.469 0.623 0 50 FCAA CN(CCc1ccccc1)c1cnn(Cc2nc(C(N)=O)no2)c(=O)c1 72157986 VLOQDOYVROIJIY-UHFFFAOYSA-N 354.370 0.452 0 50 FCAA Cc1sc2nc(CCNC(=O)[C@@H]3NCCc4[nH]cnc43)[nH]c(=O)c2c1C 72426723 DLVIRGZYEQALRD-CQSZACIVSA-N 372.454 0.870 0 50 FCAA CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ccnn2C)CC3)C1 91713128 ABXIWIMWHNGGSD-HNNXBMFYSA-N 359.474 0.969 0 50 FCAA CNS(=O)(=O)c1ccccc1NC(=O)N1CCCN(C(C)=O)CC1 96150074 OKKIKJHSEHKRKP-UHFFFAOYSA-N 354.432 0.681 0 50 FCAA Cc1ccoc1C(=O)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 211577741 PLWIKMRGOABASH-CABCVRRESA-N 363.414 0.956 0 50 FCAA CN(C)C1=NC2(CCN(CCn3c(=O)oc4ccccc43)CC2)C(=O)N1 216450107 WFSBZYXNZKKSHU-UHFFFAOYSA-N 357.414 0.477 0 50 FCAA CN1C[C@]2(CCN(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)C2)OC1=O 218993994 RGEBJKJRCHSZDN-INIZCTEOSA-N 360.349 0.532 0 50 FCAA CN1CCN(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)CC1 240228070 KFQLFXZRNIZXPE-KKUMJFAQSA-N 360.462 0.251 0 50 FCAA NC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CCCCC1 262607201 SYPKMCADICRSIG-OAHLLOKOSA-N 367.471 0.583 0 50 FCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCN(CC(=O)N(C)C)CC1 267766470 SBUZRKAXBWTBBR-UHFFFAOYSA-N 374.445 0.666 0 50 FCAA COc1cccc([C@@H]2CN(c3nc4c(c(=O)nc(O)n4C)n3C)CCO2)c1 268894105 YSWVTWJWPJQVOT-ZDUSSCGKSA-N 371.397 0.959 0 50 FCAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCO[C@H](CN2CCCC2)C1 299790717 CFPPITDZPPAKGD-GOSISDBHSA-N 370.457 0.918 0 50 FCAA O=C([C@@H]1CCS(=O)(=O)C1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 329807347 OORLIVNDLIBRJD-OCCSQVGLSA-N 363.501 0.770 0 50 FCAA CS(=O)(=O)C1(CNC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CCCC1 332893376 VPSYXWXBCIYOOJ-KFWWJZLASA-N 374.503 0.915 0 50 FCAA COCCn1nc(C)c(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1C 373874257 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C[C@@H](CNC(=O)c1cnc[nH]1)CN(C)c1ncnc2c1nnn2C1CC1 1875339333 FRCWJPVQLACURV-JTQLQIEISA-N 355.406 0.782 0 50 FCAA Cn1ccc(C(=O)N2CC3(CCC[C@@H]3NC(=O)CN3C[C@H]4C[C@H]4C3)C2)n1 1875406696 KCJRDXGTAHYZKV-LZWOXQAQSA-N 357.458 0.483 0 50 FCAA Cc1coc(C)c1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)C[C@@H]1C)C2 1875407117 SVUMCJIEHJDEOJ-SMDDNHRTSA-N 359.426 0.953 0 50 FCAA O=C(Cn1cnnn1)N1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cc[nH]c2)C1 2325826245 VOWDOCZEHXRRDG-GJZGRUSLSA-N 357.418 0.083 0 50 FCAA COc1ccccc1[C@@H](N)CNC(=O)c1cccc(-n2[nH]nnc2=N)c1 2325851724 HJKJDBVAHCWQKC-AWEZNQCLSA-N 353.386 0.513 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@H]3OCCN(C(C)=O)[C@@H]3C2)cc1 2325889761 RIGSQFRBINIDHY-IAGOWNOFSA-N 357.410 0.907 0 50 FCAA COC[C@H]1CCCN1S(=O)(=O)N1CCc2nc(C3CC3)nn2CC1 2356166806 ALSYAOLNXMCTBE-CYBMUJFWSA-N 355.464 0.369 0 50 FCAA Cc1nn(-c2nn[nH]n2)c(C)c1Nc1nccc(N2CCC[C@H](O)C2)n1 2356169177 VZFKEQXVGHXABE-NSHDSACASA-N 356.394 0.497 0 50 FCAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@]12CCCNC2=O 2356169198 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CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 373496529 PQZFBAHTNZTGHT-CSMYWGQOSA-N 359.426 0.972 0 50 FCAA COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)nc2=O)CC1=O 426509258 CVYSADXFSFBKSZ-UHFFFAOYSA-N 370.409 0.744 0 50 FCAA CN1CCO[C@H](C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)C1=O 901013879 YTNQHDXTUANQTF-OAHLLOKOSA-N 359.357 0.831 0 50 FCAA Cc1c(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)cccc1-c1nncn1C 952989558 RAMRHSFQTFKTHE-CYBMUJFWSA-N 356.430 0.926 0 50 FCAA CC(C)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)O)c2)[C@@H](C)C1=O 1506398348 LHZVXMHEQAANKW-NSHDSACASA-N 370.427 0.968 0 50 FCAA COc1cc2c(cc1CN1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1)OCO2 1529161172 AMGKUMVGWUNTJW-QWHCGFSZSA-N 372.443 0.108 0 50 FCAA CS(=O)(=O)CCC(=O)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529181410 OBNRDSGFLIZJCP-DOTOQJQBSA-N 355.456 0.236 0 50 FCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CC(N3CCOCC3)C2)OCC(=O)N1C 1529189739 WQJAVEGNJVGZLY-MOPGFXCFSA-N 373.453 0.436 0 50 FCAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 1565507671 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O=c1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)[nH]c2ccnn12 135723034 KVXLTVXMVNVHQC-CYBMUJFWSA-N 351.432 0.023 0 50 FCAA CC[C@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)CCN1CCOC 168056585 SFWPTQDJTZWOOM-AWEZNQCLSA-N 350.467 0.385 0 50 FCAA Cc1nc(N)nc(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 219941645 MWHQTUVTOOJHEX-OLZOCXBDSA-N 367.475 0.101 0 50 FCAA COc1ccc(NC(=O)CN2CCN(c3ccnc4nncn34)CC2)cc1 244708124 KNYHUPFDGFYEIT-UHFFFAOYSA-N 367.413 0.894 0 50 FCAA CCn1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)c(C(N)=O)n1 253432893 PMXRYLCYPFOPMQ-UHFFFAOYSA-N 368.371 0.510 0 50 FCAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cn1ccc(C(F)(F)F)n1 268315153 ALFTZBQTOJHNKQ-UWVGGRQHSA-N 368.381 0.736 0 50 FCAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C1=O 275235859 DWSWOYXRMAAOFB-QWHCGFSZSA-N 356.448 0.497 0 50 FCAA CN1CCN([C@H]2CN(C(=O)COc3cccc(Cl)c3)C[C@@H]2O)CC1 299756138 CXDMJNAJOJYCSZ-HOTGVXAUSA-N 353.850 0.538 0 50 FCAA NC(=O)Cn1cc(C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)nn1 435561295 SMCMDYISNGEOAR-AWEZNQCLSA-N 374.470 0.609 0 50 FCAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)NCc1nc(C(=O)NC)no1 584885380 HYAQAYLNSRZBRS-GFCCVEGCSA-N 363.374 0.400 0 50 FCAA CN(c1ccc(C(=O)NCCN2CCCC[C@H]2CO)cc1)S(C)(=O)=O 670456131 OMVMNCWESGPUFW-INIZCTEOSA-N 369.487 0.659 0 50 FCAA CN1CC[C@H](NC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)C1 823755220 JALDDWIBUBZQCN-HNNXBMFYSA-N 355.446 0.536 0 50 FCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1n[nH]c3c(OC)cccc13)C2 952848796 UVLHQCNHUZZFCY-ZMZPIMSZSA-N 358.398 0.796 0 50 FCAA CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)[C@@H]1c1cncn1C 952852953 QTSFGDHFUNOHGA-RDJZCZTQSA-N 359.430 0.311 0 50 FCAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1CCCN(CC(N)=O)C1 952981289 HFKICWBSGGGGGW-NSHDSACASA-N 361.368 0.524 0 50 FCAA O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC(=O)N(c2nccs2)C1 1177335018 HHFBWCQMFFZJDN-GFCCVEGCSA-N 369.410 0.993 0 50 FCAA Cn1nc2c(c1NC(=O)CN1CCN(c3ncccn3)CC1)CSC2 1529120996 XJNBZPQXRJLALQ-UHFFFAOYSA-N 359.459 0.718 0 50 FCAA CN(CCC(=O)N1CCCc2ccccc21)[C@H]1CS(=O)(=O)C[C@@H]1O 1616082599 NALWMSKSBWIKFQ-HOTGVXAUSA-N 352.456 0.446 0 50 FCAA NC(=O)C12CC(CNC(=O)[C@@H]3COc4ccccc43)(C1)OC21CCNCC1 1875393376 LWPUWBNFNCGTBT-FTXHTYHOSA-N 371.437 0.436 0 50 FCAA COc1ncc(Br)c(N2CCO[C@@H](CN(C)C(C)=O)C2)n1 2325867179 NOQKFKMKSRYFJJ-JTQLQIEISA-N 359.224 0.931 0 50 FCAA O=C(NCCc1nn[nH]n1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356143730 USPBXOWDAQYGFE-BVRBVLIYSA-N 367.413 0.190 0 50 FCAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 784005 PQECNVXEOZYRLJ-UHFFFAOYSA-N 368.455 0.955 0 50 FCAA O=C(NCCCN1CCOCC1)c1cn(CCN2CCCCC2)nn1 11934522 UOQDONXRCCMAEN-UHFFFAOYSA-N 350.467 0.216 0 50 FCAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN2C1=O 14541577 UCZNTUMIYLVYMZ-KKUMJFAQSA-N 359.430 0.405 0 50 FCAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cn(CCN3CCOCC3)nn2)n1 20541365 UNPCCUKZHNJOER-AWEZNQCLSA-N 361.450 0.242 0 50 FCAA O=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N1CC(N2CCOCC2)C1 67785622 BAQAZNQTYPTWLE-UHFFFAOYSA-N 366.425 0.964 0 50 FCAA Cc1cccc(CN2CCC[C@](O)(CNCCS(C)(=O)=O)C2=O)c1 67954398 AHHKPHJLOIDKBN-KRWDZBQOSA-N 354.472 0.483 0 50 FCAA Cc1c[nH]c(Cn2ncc(N3CCO[C@@H](CCN)C3)cc2=O)c(C)c1=O 72169412 AMZRHYYSVADLFK-HNNXBMFYSA-N 359.430 0.151 0 50 FCAA COC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cn2cnnn2)cc1 91663416 FJWQSBUDMFUKCW-KBPBESRZSA-N 362.365 0.630 0 50 FCAA Cc1cc(C(=O)N2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 91943504 OFTYDJSQQILNFQ-OLZOCXBDSA-N 372.468 0.455 0 50 FCAA O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)C1CCN(C(=O)C2CCCC2)CC1 95521390 USGCLMSTELTFFR-HNNXBMFYSA-N 362.430 0.950 0 50 FCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)on1 96139800 GOUZCJYZXVEDKO-DOMZBBRYSA-N 365.411 0.618 0 50 FCAA CN(C)c1noc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 170605782 TYGWXTJAIWDNTF-UHFFFAOYSA-N 353.404 0.316 0 50 FCAA Cc1ccccc1CN(C)C(=O)[C@]12CNC[C@H]1CN(S(C)(=O)=O)C2 209871524 LNALWXUQVNKVNK-RDJZCZTQSA-N 351.472 0.434 0 50 FCAA CN1CCN(Cc2ccccc2OCCN2CCOCC2)C[C@@H]1CCO 215547925 GRJGYEDQKHNHSN-IBGZPJMESA-N 363.502 0.896 0 50 FCAA O=C(Nc1ccccc1I)C(=O)NC1(CO)CC1 225687467 VESNDWCCXMPOMM-UHFFFAOYSA-N 360.151 0.871 0 50 FCAA CNC(=O)[C@H]1CN(Cc2ncc(I)s2)CCO1 241231057 KRPIHXGHGVHJGM-SSDOTTSWSA-N 367.212 0.695 0 50 FCAA CCn1ncnc1[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)C1CC1 244691952 JLURITRAIWCDJT-MRXNPFEDSA-N 370.461 0.478 0 50 FCAA CNS(=O)(=O)NC1CCN(Cc2cc(OC)ccc2OCOC)CC1 252491901 LYXZCAUQSKPRPJ-UHFFFAOYSA-N 373.475 0.696 0 50 FCAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2cnc(C(=O)O)cn2)C1 263475265 ZBMKCGJMCBKTPU-NSHDSACASA-N 357.370 0.929 0 50 FCAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)n1 275332531 QRECPLFYONTEQR-HWPZZCPQSA-N 365.411 0.984 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)NCc1noc([C@H]2CCCO2)n1 299761097 UTXUSGYDRISZHK-CYBMUJFWSA-N 373.417 0.150 0 50 FCAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CNC[C@H]3O)c2)cc1 299787765 YREZYJGYSRAEHH-IAGOWNOFSA-N 360.435 0.820 0 50 FCAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328622863 ISOPLFILVWKSSI-AWEZNQCLSA-N 366.491 0.945 0 50 FCAA C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CC[C@H]1N1CCN(C)CC1 378317155 RXEXFACTZWZSPH-HUUCEWRRSA-N 364.515 0.962 0 50 FCAA Cc1nc2ncc(C(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)c(=O)n2[nH]1 390825762 XTQCUENTROLTMG-HNNXBMFYSA-N 366.425 0.855 0 50 FCAA CN(C(=O)N[C@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 408019299 XRMADXAAYQUCSM-PWSUYJOCSA-N 358.441 0.344 0 50 FCAA CCN(CC)S(=O)(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 426403456 DPWZUFMASVYIAK-UHFFFAOYSA-N 369.491 0.702 0 50 FCAA Cc1nn(C)cc1CN(C)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 426730240 AGWRIGLSXWAHRW-INIZCTEOSA-N 368.503 0.586 0 50 FCAA COCCc1noc(CNC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)n1 584890736 XOJOJRURXAOOTQ-HNNXBMFYSA-N 353.379 0.433 0 50 FCAA COc1cccc(CN2CCN(C(=O)N[C@H](C)c3ncnn3C)CC2=O)c1 584904042 OPZUKEPCLSALAA-CYBMUJFWSA-N 372.429 0.939 0 50 FCAA Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888094918 HAFUDJLUYKDNGA-ZENOOKHLSA-N 350.419 0.358 0 50 FCAA CNC(=O)[C@H]1CC(=O)N(C2CN(c3nc(C)cc(C(F)(F)F)n3)C2)C1 888098596 IXOQUTUXDLSZJO-VIFPVBQESA-N 357.336 0.587 0 50 FCAA CCN1CCC[C@@H]1CN1CCCN(S(=O)(=O)N2CCOCC2)CC1 1506405975 YHUUJGDLNZVZQM-MRXNPFEDSA-N 360.524 0.055 0 50 FCAA CN(C)CCN1CCN(c2cc(C(=O)N3CCCC3)ccn2)CCC1=O 1529168665 KGDXIENWKVSYCV-UHFFFAOYSA-N 359.474 0.918 0 50 FCAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)c(O)nc1=O 1565510188 QJQFURKYZISDBJ-OCCSQVGLSA-N 362.430 0.201 0 50 FCAA N=c1[nH][nH]c(=N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)s1 1857711307 SFCDTUGQTYWMMB-IUCAKERBSA-N 353.429 0.009 0 50 FCAA Cc1cc(=O)c(C(=O)N[C@@H]2CCC(=O)NC2=O)nn1-c1ccc(Cl)cc1 1859588704 SRSJRDUZFXPYJF-GFCCVEGCSA-N 374.784 0.729 0 50 FCAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H]1C[C@@]12CC2(F)F 1875308697 SDJKYJDWWXOLAJ-SUMWQHHRSA-N 361.348 0.972 0 50 FCAA O=C1N[C@@H](COC(=O)[C@H]2[C@H]3CC[C@@]2(c2cccnc2)C3)C(=O)N2CCC[C@@H]12 2325769381 DOZVLEZSYLATPA-GWDMKLBJSA-N 369.421 0.782 0 50 FCAA Cc1cccc2nc(CN3CCC[C@@]34CCCN(CCO)C4=O)cc(=O)n12 2356163922 XFSZOILONHJULB-HXUWFJFHSA-N 370.453 0.952 0 50 FCAA NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)OCc1ccccc1 2561185 YYZXAAJFIOIYGD-INIZCTEOSA-N 371.393 0.831 0 50 FCAA in-vitro CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCOCC1 14977728 NQBCCBFGPVCKHQ-MRXNPFEDSA-N 361.442 0.635 0 50 FCAA Nc1nnc(SCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)s1 22737952 UWSBHVZLOMIJRC-JTQLQIEISA-N 371.488 0.310 0 50 FCAA COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(C)C 25664258 YJIGHRNHFWGNJX-QEJZJMRPSA-N 366.414 0.976 0 50 FCAA Cc1ccccc1CN(C)C(=O)[C@@]12CNC[C@@H]1CN(S(C)(=O)=O)C2 65380762 LNALWXUQVNKVNK-NVXWUHKLSA-N 351.472 0.434 0 50 FCAA CN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 65432737 IDTWTNAXLNRHHE-QGZVFWFLSA-N 359.470 0.998 0 50 FCAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCN(C)C)C2=O)c1 67743586 NDPBJEHJWQGBHE-GOSISDBHSA-N 353.438 0.839 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c(C)n2)cc1 72144360 TZDOVLKVWPRHKF-OAHLLOKOSA-N 356.430 0.428 0 50 FCAA COC(=O)NCC(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72407869 FKBFRMZIHVSMKO-ZDUSSCGKSA-N 364.450 0.473 0 50 FCAA COCCNc1nc2c(c(N[C@H](CO)c3cccnc3)n1)CCNCC2 72422602 WERWHGNAOXBATA-MRXNPFEDSA-N 358.446 0.764 0 50 FCAA CCOC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCn2cncn2)CC1 72457187 BBFWQZBCUSCIGS-CABCVRRESA-N 364.450 0.526 0 50 FCAA Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)n[nH]1 91486625 WSRVJAFNPJUFBB-HNNXBMFYSA-N 363.462 0.247 0 50 FCAA Cn1ccnc1C(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1 91547007 URAFFELBSZADQD-UHFFFAOYSA-N 354.418 0.813 0 50 FCAA NC(=O)CN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCC[C@H](N)C1)CC2 92046557 OLIZEXNFAGOYCP-KGLIPLIRSA-N 350.463 0.220 0 50 FCAA Cc1nnnn1CC(=O)N1CCC[C@H](c2nccn2CCCN(C)C)C1 95496723 XTSOHIDLYUXJAK-HNNXBMFYSA-N 360.466 0.536 0 50 FCAA O=C(Cn1cnnn1)N1CCC(c2nccn2Cc2ccccn2)CC1 95502068 VNKRQWPPJRPZFE-UHFFFAOYSA-N 352.402 0.719 0 50 FCAA CN1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@@]12CCNC(=O)CC2 107401926 MZWGJWUTDZXPTN-LJQANCHMSA-N 372.473 0.503 0 50 FCAA COC(=O)c1cncc(S(=O)(=O)NCc2cccnc2-n2cccn2)c1 170618032 NTXMSCJWRAQOEK-UHFFFAOYSA-N 373.394 0.927 0 50 FCAA NS(=O)(=O)CCCN1CCN(c2ccnc(-c3ccccc3)n2)CC1 171943135 IPKXWDXNTHBCAM-UHFFFAOYSA-N 361.471 0.944 0 50 FCAA O=C1CN(c2ccnc(C(=O)NC[C@]3(O)CCc4ccccc43)c2)CCN1 188532950 YYYSCRABIDYNRL-HXUWFJFHSA-N 366.421 0.582 0 50 FCAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3cccnn13)C2 218983477 RTYFGKXNQCRNHU-HNNXBMFYSA-N 355.402 0.177 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)Cn1cnc3ccsc3c1=O)C2 219301176 CHRZZMCUFKACTM-UHFFFAOYSA-N 357.395 0.403 0 50 FCAA NCCCOC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 237843503 STJZRKRDVANJOV-OAHLLOKOSA-N 360.458 0.787 0 50 FCAA C[C@@H]1CC[S@](=O)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 241126148 JJVKEMCAEKZZRL-YYUOZPCZSA-N 355.460 0.611 0 50 FCAA CN(Cc1ccccn1)c1nccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n1 248070782 ARTZGGRNLWQPNI-CABCVRRESA-N 374.470 0.083 0 50 FCAA CC(=O)O[C@@H]1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H]1CO 252431016 YHQCWFGKRPKMDG-YCPHGPKFSA-N 373.365 0.707 0 50 FCAA COc1ccsc1S(=O)(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 275304623 NGJOXUCBYBKFTQ-RYUDHWBXSA-N 357.457 0.887 0 50 FCAA COc1ccc(N(C)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cn1 329636699 VHHWOBVGCDQARP-CZPYZCIJSA-N 359.382 0.606 0 50 FCAA CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ncccc1C(F)(F)F)C2 364911923 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O=C(NCCCCO)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 225628633 INJBXVULLFSYHY-AWEZNQCLSA-N 356.444 0.646 0 50 FCAA COc1ccc([C@@H](NC(=O)c2c[nH]nc2-n2cnnn2)[C@H]2C[C@@H](O)C2)cn1 244774089 PNSNBDOBWGGOON-UHIISALHSA-N 370.373 0.031 0 50 FCAA COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](C(=O)O)C3)CC2=O)c(OC)c1 269193986 PDILODJWSPCPAX-VXGBXAGGSA-N 362.382 0.990 0 50 FCAA COCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C(C)=O)cn1C)C2 299765692 BSLOFSMRMBQKMS-UHFFFAOYSA-N 359.430 0.703 0 50 FCAA CCn1ccc(C(=O)N2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)cc1=O 299801996 RCKHIQSMZMXZCL-QWHCGFSZSA-N 359.386 0.327 0 50 FCAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)n1 328612533 OYVGPSSITHPHNA-OAHLLOKOSA-N 363.399 0.791 0 50 FCAA Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCO2)o1 328614837 WZYMHFVJMIIWIX-LBPRGKRZSA-N 367.383 0.911 0 50 FCAA Cc1nc2cncc(N3CCN(C(=O)c4ccn(C)c(=O)c4)CC3)n2n1 333255338 LCIAMDSHPDTLHI-UHFFFAOYSA-N 353.386 0.094 0 50 FCAA Cn1cc([C@@H]2CN(Cc3ccnn3C)CCN2Cc2ccnn2C)cn1 372348935 NZEVPSPSOYNISN-SFHVURJKSA-N 354.462 0.946 0 50 FCAA C=CC(=O)N(C)CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 858454099 VOENLUGZNZOMRL-UHFFFAOYSA-N 350.806 0.859 0 50 FCAA O=C(Cc1nc2ccccc2o1)N1CCC(N2CCN(CCO)CC2)CC1 1506410316 KCRKAPJEGDPDCP-UHFFFAOYSA-N 372.469 0.971 0 50 FCAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(CO)CC1 1529089930 CYVDBMARTBCDDD-MSOLQXFVSA-N 359.426 0.743 0 50 FCAA CC(C)c1nc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)no1 1529192154 PLMMCIQPBIBPRX-CABCVRRESA-N 359.386 0.803 0 50 FCAA Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NS(C)(=O)=O 1565512612 BSQWSXGDLGASSW-VZLIPTOUSA-N 354.432 0.030 0 50 FCAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccc2nnnn2c1 1565516439 XGUXIASTESZKAP-GJZGRUSLSA-N 354.370 0.623 0 50 FCAA Cc1nc2nc(CN3C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C3)cc(O)n2n1 1616106650 ZZCZMMGERPMHHD-OLZOCXBDSA-N 368.463 0.144 0 50 FCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cnc3cccnn23)CC1 1857727615 WIWWXMINTRLFJN-UHFFFAOYSA-N 365.397 0.758 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 1875245629 JBTNBHPYKWSQTO-YJBOKZPZSA-N 373.453 0.562 0 50 FCAA O=C1CC[C@H](N2Cc3ccc(C(=O)NC45CC(C4)C5)cc3C2=O)C(=O)N1 2325887751 SPUBYRLIABCAPY-JHMVVGAPSA-N 353.378 0.730 0 50 FCAA O=C(Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1 754098 PFZGPEQKYSGGFO-UHFFFAOYSA-N 369.425 0.970 0 50 FCAA biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 4306850 YTPHNVTZPNSHOT-CYBMUJFWSA-N 372.468 0.388 0 50 FCAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CN3CCOC3=O)C2)CC1 20453709 IBMWKHMLQRCVMY-AWEZNQCLSA-N 368.434 0.204 0 50 FCAA CCOc1ccccc1NC(=O)CC(=O)NCCSc1nnnn1C 55182583 WRBNTRIHBHTWEF-UHFFFAOYSA-N 364.431 0.846 0 50 FCAA O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)c1c[nH]c(=O)cn1)C2 65529064 XNQVDHNBVMEGCU-UHFFFAOYSA-N 364.365 0.875 0 50 FCAA NCCc1cc(N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ncn1 67562623 PEPCACIAGIMAMM-WJAMPBCPSA-N 364.497 0.957 0 50 FCAA O=C(CSc1ncn[nH]1)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71751701 CMPDORZPMJQRKI-UHFFFAOYSA-N 369.410 0.627 0 50 FCAA Cc1c(C(=O)N2CC[C@@](O)(CN(C)C)C2)sc2ncn(C)c(=O)c12 72140230 ACTCADBTVBIRTD-MRXNPFEDSA-N 350.444 0.442 0 50 FCAA Cn1ncnc1CCNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72476475 SVZXXLXOCPONRI-LLVKDONJSA-N 365.463 0.130 0 50 FCAA CNS(=O)(=O)CCNc1nc(-c2ccco2)nc2c1CCNCC2 72479668 AAPXMWOLZLSFLF-UHFFFAOYSA-N 351.432 0.386 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCOC[C@H](O)C3)ccc21 77300042 COAAFZVISQQPOL-CQSZACIVSA-N 360.414 0.243 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)C(C)(C)N)C1 77320338 RFFKXKNZIKFBBK-ZDUSSCGKSA-N 350.467 0.091 0 50 FCAA O=C1C[C@@]2(CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)C2)C(=O)N1 77424285 QBLNWSPTJRMDAC-GOSISDBHSA-N 356.382 0.024 0 50 FCAA O=C(CN1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2)N1CCNCC1 91586382 IGAANUBVHTYNSK-FXAWDEMLSA-N 368.525 0.982 0 50 FCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CCCNC3=O)C2)c1 91747117 PKZMGMIGTKNMSR-OAHLLOKOSA-N 355.391 0.215 0 50 FCAA CC(C)=CCN1CC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1=O 95378945 IUJUTFWHHGNIHD-ZDUSSCGKSA-N 362.430 0.392 0 50 FCAA COCCN1CCN(CCOc2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 95496515 CAFQPSSKJIIVDT-SJORKVTESA-N 372.462 0.634 0 50 FCAA C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)N1CCN(C)CC1 132321816 MFGGESNNMJINFP-AEFFLSMTSA-N 358.486 0.930 0 50 FCAA NC(=O)[C@H]1CC(C(=O)N2CC[C@@H](N3CCCC3)C2)=NN1c1ccc(F)cc1 171442386 ASHULRFNPYXHJQ-NVXWUHKLSA-N 373.432 0.942 0 50 FCAA NS(=O)(=O)c1cccc2c(C(=O)N3CCN(C4CC4)CC3)nccc12 180655339 ZTLOXNCGJSYIBX-UHFFFAOYSA-N 360.439 0.802 0 50 FCAA Cc1cn(CC(=O)NCCc2cnn(-c3ccccc3)c2)c(=O)[nH]c1=O 215495327 URCVOVZQUXTDRO-UHFFFAOYSA-N 353.382 0.390 0 50 FCAA Cc1cccc2[nH]c(COCC(=O)N[C@@H]3COCC[C@@H]3OCCO)nc12 223734367 ZZMMGVSXBQTXQH-CABCVRRESA-N 363.414 0.671 0 50 FCAA NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 264718187 GDQJWOKERSGTNC-ZWNOBZJWSA-N 369.418 0.779 0 50 FCAA Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 273847090 XUJZPUTWMATCSZ-SNVBAGLBSA-N 373.818 0.745 0 50 FCAA CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)O1 288514537 GMVZIZPQBYBFNT-QWHCGFSZSA-N 364.793 0.890 0 50 FCAA COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CN1CCNCC1=O 299738872 HNFMVPOSQNVEOE-INIZCTEOSA-N 361.442 0.635 0 50 FCAA CC(=O)NCc1cc2n(n1)CCN(C(=O)CN(C)Cc1ccncc1)C2 426510218 LZTBGXKPEQEBAE-UHFFFAOYSA-N 356.430 0.388 0 50 FCAA NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3cc(NCCO)ncn3)c2)C1 426538408 LWUKUEMXRJZNRF-OAHLLOKOSA-N 369.425 0.885 0 50 FCAA CN(C[C@@H]1CCCN(CCO)C1)S(=O)(=O)c1ccccc1C(=O)O 1506418230 GFTTXPVSPOOKMM-ZDUSSCGKSA-N 356.444 0.710 0 50 FCAA COc1cccc(OCC(=O)N[C@H]2CCOC[C@@H]2OCC(=O)N(C)C)c1 1565512373 WOTHEJKZQBQJHD-HOTGVXAUSA-N 366.414 0.453 0 50 FCAA CN1CCN(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(=O)O)cc2)CC1 1565525263 GYIKFGVQXWZGRO-HOTGVXAUSA-N 363.414 0.878 0 50 FCAA COc1c(C)cc(C)cc1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615740365 TVWZJBPCHDTIMZ-CVEARBPZSA-N 356.488 0.996 0 50 FCAA COc1cc(C)c(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c(C)c1C 1704316058 UJCPGXITWYXDAG-KGLIPLIRSA-N 368.455 0.756 0 50 FCAA Cc1n[nH]cc1-c1nc(-c2cc3n(n2)CCN(C)C3=O)n([C@@H]2CCOC2)n1 1857677900 QBWYKKBAYPLJNM-LLVKDONJSA-N 368.401 0.887 0 50 FCAA Cc1cc(C)n(CCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)c(=O)n1 1857724205 PTWOHIRYHKFNQS-LBPRGKRZSA-N 361.427 0.486 0 50 FCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CCCn2cncn2)CC1 1857739000 IIQXCYMPKMGTLM-UHFFFAOYSA-N 357.418 0.473 0 50 FCAA COC(=O)c1cc(O)cc(C(=O)N2CCc3nc(C(N)=O)cn3CC2)c1 1875248576 YRBDTHRPOKOMMF-UHFFFAOYSA-N 358.354 0.173 0 50 FCAA O=C1CC[C@](CC(=O)N[C@@H]2CNC[C@@H]2n2cccn2)(C(F)(F)F)CN1 1875404509 LDHZSHUZXLSPQW-UHIISALHSA-N 359.352 0.361 0 50 FCAA CCc1cccnc1C(=O)N1C[C@H]2CN(C(=O)COC3COC3)C[C@H]2C1 1875408220 RAGAMWMACXUYOK-GASCZTMLSA-N 359.426 0.590 0 50 FCAA COc1nc2ccccc2nc1CCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2 2100556248 JUCSSWJYLPOVJI-OLZOCXBDSA-N 370.409 0.544 0 50 FCAA NC(=O)c1c[nH]c(C(=O)NCC2(NC(=O)c3cccc4[nH]ncc34)CC2)c1 2325862814 JOXGFJLBXKUISL-UHFFFAOYSA-N 366.381 0.682 0 50 FCAA CO[C@@H](C)c1nc(Cl)cc(N2CCO[C@@H](CN(C)C(=O)CO)C2)n1 2325867990 KZKABIRYSMNDFZ-QWRGUYRKSA-N 358.826 0.493 0 50 FCAA N=c1[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)COc2cccnc2)cs1 2325873319 CWUAEGQORHMDQS-NSHDSACASA-N 361.427 0.750 0 50 FCAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)CC1 20453707 IBMWKHMLQRCVMY-CQSZACIVSA-N 368.434 0.204 0 50 FCAA CCc1cccc(NC(=O)CCC(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)c1 65497634 JPVIWWASIVGOGC-CABCVRRESA-N 372.425 0.183 0 50 FCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccon2)c1 72149699 YKFTWELBANLMLR-MRXNPFEDSA-N 358.398 0.690 0 50 FCAA Cc1occc1C(=O)N1CCC[C@](O)(CNC(=O)N2CCOCC2)CC1 72165133 ROMVPQSUWVRZGK-GOSISDBHSA-N 365.430 0.987 0 50 FCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)CCN3CCCCO3)CC[C@H]21 72436009 AWPKDBVXODYBCI-JKSUJKDBSA-N 352.479 0.463 0 50 FCAA Cc1cc(CN(C)C(=O)C[C@H]2COCCN2C(=O)c2ccc(N)nc2)no1 72462900 HWJRLKVVRKJQGI-HNNXBMFYSA-N 373.413 0.850 0 50 FCAA CCN(C)CC(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77338434 LDBLFUDYXWYTLO-SJORKVTESA-N 365.499 0.448 0 50 FCAA CCCNc1ncc(CN2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cn1 77358534 FSHIBEYMANMRHU-GDBMZVCRSA-N 371.445 0.454 0 50 FCAA COCCN1CCN(C(=O)C2C(C)(C)C2(C)C)[C@H]2CS(=O)(=O)C[C@H]21 82087264 YYYLERHUCBWQOA-OLZOCXBDSA-N 358.504 0.625 0 50 FCAA O=C(c1cn(CCN2CCNCC2)nn1)N1CCC(c2ccncc2)CC1 82160746 QRYKFEYJYORKEG-UHFFFAOYSA-N 369.473 0.598 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccc2c(c1)OCO2 91830813 ZIOJDMSNGKCFAD-WDEREUQCSA-N 357.322 0.439 0 50 FCAA NC(=O)[C@@H]1CC(C(=O)N2CC[C@@H](N3CCCC3)C2)=NN1c1ccc(F)cc1 171442382 ASHULRFNPYXHJQ-WBVHZDCISA-N 373.432 0.942 0 50 FCAA Cc1nc2ncccn2c1C(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 219928223 SOWWKCAMQHQRQY-OLZOCXBDSA-N 363.443 0.534 0 50 FCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1 262644354 TUUTYZHOMLOSIU-WMZOPIPTSA-N 369.469 0.915 0 50 FCAA C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)Nc1ccccc1 265362632 DZXNWNBZFRWTEM-WFASDCNBSA-N 370.413 0.852 0 50 FCAA CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)cs1 299747843 FICISGMATGSHFN-VHDGCEQUSA-N 368.503 0.608 0 50 FCAA COc1cccc(C(=O)N2CCC(C(=O)N(C)[C@H]3COC[C@@H]3O)CC2)c1 299792263 FQKMDIFZRGPCFS-IRXDYDNUSA-N 362.426 0.766 0 50 FCAA N=C(O)[C@]1(O)CCCN(C(=O)c2cnn3cc(Br)cnc23)C1 331938624 FLZFLOODBFFSHR-ZDUSSCGKSA-N 368.191 0.994 0 50 FCAA Cc1cccc(F)c1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 333881551 DQLJPJPXWOYOPA-STQMWFEESA-N 363.432 0.711 0 50 FCAA Cc1n[nH]c(C)c1CCCNc1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 426707523 WIKKIAWFASNLBH-CQSZACIVSA-N 372.473 1.546 0 50 FCAA CCOC(=O)[C@](C)(O)CNC(=O)Nc1cccc(N2CCNC2=O)c1 460122937 GYUFFSFOBFYBJZ-MRXNPFEDSA-N 350.375 0.652 0 50 FCAA CO[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1346890250 OOURCYSCQORANO-AWEZNQCLSA-N 363.462 0.708 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC2CCN(Cc3ccccc3)CC2)[C@@H](O)C1 1565514368 ALAFWITZIKPTJQ-PMACEKPBSA-N 374.529 0.764 0 50 FCAA NC(=O)c1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)no1 1565525410 WLBROKZSPDJTME-KOLCDFICSA-N 362.415 0.248 0 50 FCAA CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)cn1 1565528771 LENGGQFXCLYGQW-KGLIPLIRSA-N 362.459 0.983 0 50 FCAA C[C@H](C(=O)N1CC[C@@](C)(CNC(=O)Cc2cc[nH]n2)C1)c1cnn(C)c1 1875360399 HIDWAXXXCAPNOC-UGSOOPFHSA-N 358.446 0.844 0 50 FCAA Cc1n[nH]cc1C(=O)N1C[C@H](C)O[C@]2(CCN(Cc3cncn3C)C2)C1 1875405074 OXUUOTKJBRFHAE-UGSOOPFHSA-N 358.446 0.957 0 50 FCAA C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](NC(=O)c3cccc4nncn34)CO2)C1 1875406586 HUVQTWJDBKQPKJ-FRRDWIJNSA-N 355.398 0.485 0 50 FCAA N=c1ccc(C(=O)N[C@H]2C[C@H](C(=O)NCC3=CCCCC3)C[C@@H]2O)c[nH]1 2100534874 YBOWRDFEROJHRF-JYJNAYRXSA-N 358.442 0.980 0 50 FCAA Cc1cc2[nH]c(CN3CCC[C@@]34CCCN(CCO)C4=O)cc(=O)n2n1 2356151811 AQJJEYYUGRRTJC-GOSISDBHSA-N 359.430 0.280 0 50 FCAA COC(=O)[C@@H](C)Oc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 1149222 ZAMZAOVBXHFULP-SECBINFHSA-N 363.378 0.526 0 50 FCAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)cc1OC 5388687 HYACLAFVBVRKQU-UHFFFAOYSA-N 359.382 0.786 0 50 FCAA CC(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N3C2)cc1 14744551 FSNKZARVUYZWMK-MEYUZBJRSA-N 374.441 0.780 0 50 FCAA 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0.606 0 50 FCAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 244715924 LESPHPQIPHEWLT-UXLLHSPISA-N 368.441 0.773 0 50 FCAA CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)[C@H](C)C(=O)N(C)C 248651465 ATZMGJXBHKNVMN-OLZOCXBDSA-N 356.444 0.955 0 50 FCAA O=C(Cn1cnnn1)N1CCN(Cc2ccc(OCC(F)F)cc2)CC1 289981373 ZXFGZFXALAQKJR-UHFFFAOYSA-N 366.372 0.661 0 50 FCAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 290080374 GJTBJVRUENQFFJ-FZMZJTMJSA-N 356.386 0.862 0 50 FCAA O=C(O)[C@@H]1COCCN1C(=O)CCN1C(=O)CCc2cc(F)ccc21 299751114 POSNVLVFJJCPHF-AWEZNQCLSA-N 350.346 0.807 0 50 FCAA CCc1cc(N2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)nc(N(C)C)n1 299765706 BYABPQBMHLVRHW-UKRRQHHQSA-N 374.445 0.771 0 50 FCAA O=C(CN1CCN([C@H]2CCNC2)CC1)Nc1ccc(Cl)c(C(=O)O)c1 299765799 BKGDBAGVLWROSI-ZDUSSCGKSA-N 366.849 0.956 0 50 FCAA CN(Cc1ccc2nsnc2c1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 299783899 ZRGXPMWEWIRPSK-GFCCVEGCSA-N 368.484 0.769 0 50 FCAA Cn1c(=O)oc2ccc(C(=O)N3CC[C@H]4[C@H](C3)OCc3cnnn34)cc21 299786843 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1857528459 GJNCFHSYGXIVSW-CYBMUJFWSA-N 355.446 0.918 0 50 FCAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(-n2cnnn2)n[nH]1 1857680864 QEIXMLVBMUYFLI-CQSZACIVSA-N 352.402 0.780 0 50 FCAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857728200 RKJAZQFAPIOCHX-DDHJBXDOSA-N 362.411 0.419 0 50 FCAA Cc1conc1C1CN(c2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)C1 1875401638 NIZASMLTFADXDC-HUUCEWRRSA-N 358.446 0.878 0 50 FCAA CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C2)nn1 2325828352 FDIFOTNKEWZKQF-DNVCBOLYSA-N 371.441 0.622 0 50 FCAA CC(C)[C@@H](O)C(F)(F)C(=O)NC[C@@H](O)CNC(=O)c1ccc(O)cc1 2325860710 QLMYQLUFXDXZPW-QWHCGFSZSA-N 360.357 0.251 0 50 FCAA C[C@@]1(O)CCOC2(CCN(Cc3nc(C(F)(F)F)no3)CC2)[C@H]1O 2356141535 GOMAMLTVYONXOL-CMPLNLGQSA-N 351.325 0.955 0 50 FCAA COc1ccccc1-n1cc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)cn1 14744959 YLGKUWBQDGZKGM-MRXNPFEDSA-N 369.425 0.366 0 50 FCAA CCOC(=O)CNc1ccccc1C(=O)NC[C@H]1CCS(=O)(=O)C1 65507089 SKLOQVGQHHQULB-GFCCVEGCSA-N 354.428 0.826 0 50 FCAA 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369.425 0.978 0 50 FCAA CCCS(=O)(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1 219197432 KPHCYJOYVHKZGS-HNNXBMFYSA-N 353.448 0.644 0 50 FCAA CN(C)C(=O)N1CCN(Cc2ccc(F)c(F)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 220124148 UUSUFNJEEQNKDR-CABCVRRESA-N 373.425 0.930 0 50 FCAA O=C(CCn1ccc(O)nc1=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 253535871 VAUNIOTVXASDTB-QLFBSQMISA-N 358.398 0.232 0 50 FCAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 262749742 MFIFTKHNHAPDEK-FZMZJTMJSA-N 353.444 0.288 0 50 FCAA C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)Nc1ccccc1 265362620 DZXNWNBZFRWTEM-DOMZBBRYSA-N 370.413 0.852 0 50 FCAA CNC(=O)[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 284067284 NPLVDGOZXUCXCS-SWLSCSKDSA-N 363.414 0.316 0 50 FCAA COc1ccccc1CN1C[C@@H](C(=O)N2CCS(=O)(=O)CC2)CC1=O 299761858 YSEAQLINVNUZSE-AWEZNQCLSA-N 366.439 0.301 0 50 FCAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCN(S(C)(=O)=O)CC2)c1C 299767560 HXTAYUAZRLVZCM-LLVKDONJSA-N 370.475 0.757 0 50 FCAA CN(C)C(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2OCCCN)CCO1 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NC(=O)Cn1ccnc1[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 95528914 TVZJAKUXUCNLSY-AWEZNQCLSA-N 369.491 0.669 0 50 FCAA O=C(NC[C@H](O)COC1CCCCC1)c1cnn2cc(CCO)cnc12 97117153 LPFSOCGRKLEQIY-AWEZNQCLSA-N 362.430 0.704 0 50 FCAA CNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CCCCn3nnnc31)C2 97694796 YJBYGDJCCAVHDG-LLVKDONJSA-N 360.443 0.947 0 50 FCAA NC(=O)C[C@H](NC(=O)Cn1cnc(-c2ccccc2)n1)C1CCOCC1 119070712 DJSVNBNUIWYDKB-HNNXBMFYSA-N 357.414 0.732 0 50 FCAA COc1ccc([C@@H](NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2ccncc2)cc1 215788909 KHRROMRLURTKDL-QGZVFWFLSA-N 366.377 0.915 0 50 FCAA CN1CCCN(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)CC1 230059149 QSUICVUEYGFHTN-GOSISDBHSA-N 361.490 0.209 0 50 FCAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCc2c(c(C(N)=O)nn2C)C1 252483885 FKPBWDKLGYKLLF-LBPRGKRZSA-N 353.426 0.855 0 50 FCAA O=C(NCC1CCS(=O)(=O)CC1)[C@@H](Cc1ccccc1)n1cnnn1 252485535 GXWDVJDUVNQQBE-OAHLLOKOSA-N 363.443 0.398 0 50 FCAA CCOC(Cn1ncc(C(=O)NCCSCCCO)c1N)OCC 253405892 SNEWRRGPEZPMPF-UHFFFAOYSA-N 360.480 0.710 0 50 FCAA CCN(Cc1cnn(C)c1)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 299774600 FLPMSQFHXLRHER-MRXNPFEDSA-N 368.503 0.668 0 50 FCAA Cc1ccc(C)c2c(O)cc(CN3CCN(S(N)(=O)=O)CC3)nc12 299793924 HMAWNYLEMQUEEG-UHFFFAOYSA-N 350.444 0.878 0 50 FCAA NC(=O)c1cncc(-c2cccc(C(=O)NC[C@]3(O)CCCNC3)c2)n1 534663469 IDWWYMLURBQSPF-SFHVURJKSA-N 355.398 0.087 0 50 FCAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cnc(O)n(C)c1=O 1565514907 GNUSPDCEAQRPCU-KBPBESRZSA-N 351.403 0.285 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]2O)on1 1704343456 CBWHEODOBQKLBY-DOMZBBRYSA-N 365.411 0.306 0 50 FCAA CSc1nc(N)cc(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 1772818587 HKGWRDINWKXTBZ-JTQLQIEISA-N 350.448 0.098 0 50 FCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CNC2CC2)cn1 1857718541 JVXZGKKPALBSQC-HKUYNNGSSA-N 361.490 0.927 0 50 FCAA O=C(c1ccc2c(c1)nc(O)n2CC1CC1)N1CC(=O)N2CCOC[C@@H]2C1 1875302508 TUISNBYEKFSAPE-AWEZNQCLSA-N 370.409 0.835 0 50 FCAA Cn1nccc1COCC(=O)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403649 XHIINRQZYLNJQV-KCPJHIHWSA-N 367.837 0.743 0 50 FCAA CC(C)[C@H](C(=O)O)n1ncc(=NS(=O)(=O)c2cc(Cl)cnc2N)[nH]1 2325852150 UTFAXHBYBFWSOZ-SNVBAGLBSA-N 374.810 0.413 0 50 FCAA O=C(CN1CCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 4807666 YYKMUCNCBMJPDY-UHFFFAOYSA-N 353.444 0.742 0 50 FCAA CCNC(=S)NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1 13571885 YBICDSFSENZUMK-UHFFFAOYSA-N 366.495 0.509 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CN1 55645284 HSZCPBPKGQAQOI-CQSZACIVSA-N 365.455 0.436 0 50 FCAA CN1CCC(N(C)S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1 67588624 KQCBTKBSYAXLFI-UHFFFAOYSA-N 373.500 0.807 0 50 FCAA CC1=C(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)NC(=O)N1 67675618 JMUBQQNRTZMUEW-SNVBAGLBSA-N 366.443 0.528 0 50 FCAA COc1cccc(CN2CCC[C@@](O)(CN3CC(O)C3)C2=O)c1OC 67833444 QZKKVNVCJQCRGW-GOSISDBHSA-N 350.415 0.234 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCn1c(=O)oc2ccc(C)cc21 67843526 CSDKETALBXHADT-JSGCOSHPSA-N 360.414 0.357 0 50 FCAA COCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71774497 AOEDTRUBIPHAJW-MRXNPFEDSA-N 366.506 0.110 0 50 FCAA Cc1nc(NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)c2cnn(C)c2n1 72168185 JHOFFGXAPKJINH-GFCCVEGCSA-N 354.418 0.704 0 50 FCAA CCc1cc(N2CCN(C(=O)c3nc[nH]n3)CC2)n2nc(C)c(C)c2n1 72407311 OWVKBGUAFKBDRY-UHFFFAOYSA-N 354.418 0.989 0 50 FCAA Cc1cnn(C2(C(=O)O)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 72422285 OTYGHLAEQMUAIJ-UHFFFAOYSA-N 353.404 0.190 0 50 FCAA Cc1ccc([C@@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@H]2N(C)C)cc1 77302064 KSCXSLVKDZDMIQ-DLBZAZTESA-N 370.453 0.791 0 50 FCAA COCCc1noc(CN2CC[C@]3(CCCN(CCOC)C3=O)C2)n1 91574453 WXLFXDWIGXQXJA-QGZVFWFLSA-N 352.435 0.719 0 50 FCAA CN1C(=O)[C@H](CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)N(C)C1=O 91587146 RSTIOHIFTCFNAR-AWEZNQCLSA-N 363.389 0.918 0 50 FCAA O=C(Cc1cccc(F)c1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 95381934 OBNJVHGSVRYQBM-HZPDHXFCSA-N 350.434 0.892 0 50 FCAA NC(=O)Cn1ccnc1[C@H]1CCCN(CC(=O)NCc2ccccc2)C1 95511501 NSGFOKLRKKYEJO-INIZCTEOSA-N 355.442 0.864 0 50 FCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(c1nccc(N)n1)CC2 96138422 DPTCKZGLQGELIX-UHFFFAOYSA-N 370.461 0.439 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(c4cc(N)ncn4)CC3)n2C)CC1 96147797 VAPXMIZJBUDUMG-UHFFFAOYSA-N 371.493 0.319 0 50 FCAA COc1ccc(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1Cn1cncn1 97527232 AWMJYLRNFJKJRR-GASCZTMLSA-N 355.398 0.382 0 50 FCAA Cc1c(CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cnn1C 179359102 YGORZUGFSLZGLG-AWEZNQCLSA-N 357.480 0.732 0 50 FCAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 223004846 ZABVPZFAOWFGKK-KYQLBWAOSA-N 369.468 0.514 0 50 FCAA CCOC(=O)[C@@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NS(C)(=O)=O 225485504 YARIXBNBFFQKMF-GXTWGEPZSA-N 356.444 0.523 0 50 FCAA O=C([C@@H]1CNC[C@@H](C(=O)N2CCc3ncccc3C2)C1)N1CCOCC1 247796050 RNMBIZMKHJAKGT-HOTGVXAUSA-N 358.442 0.051 0 50 FCAA CCc1ccc(S(=O)(=O)N[C@H](CCCNC(=N)N)C(=O)O)cc1CC 274970657 WGPUAXRQZUDWDK-CQSZACIVSA-N 370.475 0.806 0 50 FCAA CN1CC[C@H]2OCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)[C@@H]2C1 285287332 OMKXNLXUGNBMFE-HZPDHXFCSA-N 372.425 0.284 0 50 FCAA O=C([C@H]1CSCN1C(=O)c1cnc2n(c1=O)CCS2)N1CCCC1 299636271 CZWXHDBIVZZSQJ-LLVKDONJSA-N 366.468 0.487 0 50 FCAA COCc1nnc(NC(=O)CN2CCC3(CCC(=O)N(C)C3)CC2)s1 299778401 MUHUUGZBQGINCH-UHFFFAOYSA-N 367.475 0.957 0 50 FCAA Cc1nn(CCO)cc1CN1CCn2nc(CNc3ncccn3)cc2C1 299797269 QIMINJAGJUVBAJ-UHFFFAOYSA-N 368.445 0.798 0 50 FCAA CCn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)nc1C 329151955 AKVDWYZBKXTOQL-GFCCVEGCSA-N 366.447 0.419 0 50 FCAA CN(Cc1cc[nH]n1)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1 408521109 IVYUBSUWKFDOSL-UHFFFAOYSA-N 374.426 1.216 0 50 FCAA CC(=O)N1C[C@H]2CN(C(=O)Cn3ncc4ccccc43)C[C@@]2(C(=O)O)C1 426620030 LIQMDAZISGMWBF-KSSFIOAISA-N 356.382 0.428 0 50 FCAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1c(C)n[nH]c1C)C2 426647870 DVRBOYFQIGZJJS-UHFFFAOYSA-N 352.420 0.064 0 50 FCAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H](Cc1ccccc1)n1cnnn1 426648167 QRNRNVCMMCTZPH-JTQLQIEISA-N 366.307 0.910 0 50 FCAA COc1ccc(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)cn1 759801386 FDXOHYRUZWMUBP-UHFFFAOYSA-N 350.343 0.957 0 50 FCAA COCCN1CCC[C@H](CNS(=O)(=O)N2CCC(COC)CC2)C1 824413193 UHZUWWYPNXZRTM-MRXNPFEDSA-N 363.524 0.538 0 50 FCAA CC(=O)NC[C@@H]1CCCN(c2ncnc3c2ncn3CC2(CO)COC2)C1 888098096 ZMCJJTLVLNLUPY-AWEZNQCLSA-N 374.445 0.188 0 50 FCAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N2CC(Oc3ccncc3)C2)n1 952887418 FGPMMVSSHXPONF-CQSZACIVSA-N 357.414 0.285 0 50 FCAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)Cn2cnnn2)cc1 1073334175 HDMPHAOHCGKOMI-CVEARBPZSA-N 356.430 0.805 0 50 FCAA Cc1cc(C[C@@H]2CN(C3CCN(C(=O)c4cnccn4)CC3)C[C@@H]2O)on1 1529159161 PNIAMWNCHFVKMD-KDOFPFPSSA-N 371.441 0.913 0 50 FCAA CN1CCCN(CC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)CC1 1565511713 GPGKQLAHBPRHAA-ROUUACIJSA-N 362.474 0.509 0 50 FCAA O=C(C1CCOCC1)N1C[C@@H]2CN(Cc3ccncc3)C[C@]2(C(=O)O)C1 1565512041 JTEVTMXOHLAVOE-LPHOPBHVSA-N 359.426 0.853 0 50 FCAA O=c1cc(CN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)[nH]c2ccccc12 1614344876 WBESBIFGSNJWRN-ICSRJNTNSA-N 357.454 0.920 0 50 FCAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 1704339027 BQYZXYLKXGNODU-CJNGLKHVSA-N 371.459 0.054 0 50 FCAA CCc1ocnc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2Cc1nccn1C 1772700494 BXEXPCMERZAYHH-KGLIPLIRSA-N 359.430 0.944 0 50 FCAA CN(C)CC1(CO)CCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)CC1 1772705203 RGEIJDCXXXSILI-UHFFFAOYSA-N 374.434 0.849 0 50 FCAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857689068 DCHBVIPUSGNOJK-PSBWJHGTSA-N 357.410 0.675 0 50 FCAA O=C1OCCN1CC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1ccccn1 1857702497 CZOSJEJIOIOBHB-GJZGRUSLSA-N 358.398 0.278 0 50 FCAA CN(C)CCN(CC(=O)O)C(=O)c1cccc(-n2nc(O)ccc2=O)c1 1875263645 CVPUMPITRHKIBR-UHFFFAOYSA-N 360.370 0.027 0 50 FCAA Cn1cc(C(=O)N2CC[C@H](n3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326351 HPJKJZCCXRRXGW-ZDUSSCGKSA-N 367.369 0.859 0 50 FCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cc(N2CCCC2)ncn1 1875402923 OKYMBLNRORSTJZ-SQWLQELKSA-N 356.430 0.843 0 50 FCAA CN(Cc1cnn2c1CNCC2)C(=O)NCc1cnn(-c2ccccc2)n1 2325759948 WGXDESUJVUPKBY-UHFFFAOYSA-N 366.429 0.909 0 50 FCAA Cc1ccc(F)c(C(=O)N[C@@H]2CN(C(=O)c3cc(F)n[nH]3)C[C@H]2O)n1 2325877652 WKXMCTFYGSEQOM-GHMZBOCLSA-N 351.313 0.007 0 50 FCAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccc(C)cc1 49765306 MMSXPPKURCSIOR-HZPDHXFCSA-N 358.442 0.949 0 50 FCAA COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)O)c1 71479615 BHIXHPQJYYYDMU-HNNXBMFYSA-N 372.381 0.909 0 50 FCAA CCCn1cnnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)o1 72151598 IGDBFEJPBVBGGZ-HNNXBMFYSA-N 374.445 0.596 0 50 FCAA CCn1ccc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 72410957 GUWRWEOHKLFPCQ-CVEARBPZSA-N 366.487 0.793 0 50 FCAA COc1ccc(OC2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)cc1 72411363 IGSKEBCVPOLXIQ-UHFFFAOYSA-N 373.409 0.695 0 50 FCAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3c[nH]c(=O)cn3)CC2)cn1 72418382 NTUPAYAETGECSW-UHFFFAOYSA-N 358.354 0.612 0 50 FCAA O=C(CCc1cc2n(n1)CCNC2)N1CCN(C(=O)c2cccs2)CC1 72433661 GSKKIXDMJOMFOC-UHFFFAOYSA-N 373.482 0.965 0 50 FCAA Cc1ncc(CC(=O)N2CCC(C(=O)O)(n3ccnc3C)CC2)c(=O)[nH]1 72475900 ZGNJGQPNKISITC-UHFFFAOYSA-N 359.386 0.228 0 50 FCAA CC(C)c1ccc(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)c(=O)[nH]1 77487505 PYTLICKSTHFGTK-ZDUSSCGKSA-N 371.441 0.848 0 50 FCAA COc1ccccc1[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C(=O)O 91551791 FRSPFWXXIQYWEM-QWHCGFSZSA-N 370.427 0.261 0 50 FCAA Cc1n[nH]c(C)c1[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)C(=O)O 95375554 ATAILUZIWLVXSR-INIZCTEOSA-N 369.381 0.987 0 50 FCAA CC(C)CN1CCN(Cc2nncn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 95527200 JXRIQFGNCOJIOR-CABCVRRESA-N 355.508 0.798 0 50 FCAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)Cn2cnnn2)CC1 96148893 FPXLYNYXBXTHMX-UHFFFAOYSA-N 373.465 0.194 0 50 FCAA CN(C)CCCOc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)cn1 96151821 KRVWLFVGKPFUFD-UHFFFAOYSA-N 358.402 0.353 0 50 FCAA O=C(c1ccc2[nH]c(CO)nc2c1)N1CCN(CCN2CCOCC2)CC1 97475065 MWEAOYLVFGOQLW-UHFFFAOYSA-N 373.457 0.145 0 50 FCAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H](CO)Cc1ccccc1 120644441 GQROPMBHZJMSDY-AWEZNQCLSA-N 353.378 0.410 0 50 FCAA biogenic O=C(CCCc1nc(C2CC2)no1)N1CCC[C@@H](N2CCNCC2=O)C1 186689432 BVCCNJBFWYPSHY-CQSZACIVSA-N 361.446 0.693 0 50 FCAA O=C(N[C@H]1CCNC1)c1cccc(S(=O)(=O)NCc2ccncn2)c1 215536911 BBBJDNAMDOXFMP-AWEZNQCLSA-N 361.427 0.047 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 215667586 UNQJTBVEWAKWDW-HNNXBMFYSA-N 353.382 0.668 0 50 FCAA COc1cncc([C@H](NC(=O)c2ccn3nnnc3c2)[C@H]2C[C@@H](O)C2)c1 218867747 AZFOPHZXPRSPTF-AXAPSJFSSA-N 354.370 0.770 0 50 FCAA Cc1ccc2c(c1)c(CNC(=O)c1c[nH]c3nc(C)nn3c1=O)nn2C 219354123 OEQZJFIKDXBECX-UHFFFAOYSA-N 351.370 0.851 0 50 FCAA Cc1ncn(CC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1C 221263810 FAKIWIZFIAOEOS-UHFFFAOYSA-N 369.491 0.375 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3[C@@H](N)[C@H]4CCO[C@H]43)CCC2)cc1 222786265 XTPZOIMJDNBYPV-QKPAOTATSA-N 364.467 0.743 0 50 FCAA CCO[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1O 223442350 ZSGGXHRHYZAQNW-GJZGRUSLSA-N 356.444 0.136 0 50 FCAA CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCO)[C@@H]4C2=O)cc1 252346846 IAWVTGHGKLSNCG-YKTARERQSA-N 371.393 0.040 0 50 FCAA CSc1nn2c(=O)cc(CN3CCN(c4nc[nH]n4)CC3)nc2s1 252488226 INXBCMJTXZVQSX-UHFFFAOYSA-N 364.460 0.313 0 50 FCAA Cc1ccnc(SCC(=O)N2CCCO[C@H](CN3CCOCC3)C2)n1 299787288 UHFOPUTUANEZHC-OAHLLOKOSA-N 366.487 0.827 0 50 FCAA CN1C[C@@H](C(=O)N2CCC(c3nnc(CO)n3C)CC2)Oc2ccccc21 299791017 CFJJWRHQRPXWGX-INIZCTEOSA-N 371.441 0.911 0 50 FCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)Cc1nc(CC(C)C)no1 584891051 KGSPNWOJCFMIQH-GHMZBOCLSA-N 360.436 0.222 0 50 FCAA CN1CCN(C(=O)[C@@H]2CN(Cc3ccon3)C[C@H]2C(F)(F)F)CC1=O 888103116 HONYFPACWIMCRQ-VXGBXAGGSA-N 360.336 0.586 0 50 FCAA NC(=O)C1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1 952865076 ORRKNUNNWVHUBQ-UHFFFAOYSA-N 357.414 0.012 0 50 FCAA C[C@H]1Oc2c(cccc2C(=O)N(C)Cc2cnn3c2CNCC3)NC1=O 952890187 OUYHJORETKLBDN-LLVKDONJSA-N 355.398 0.978 0 50 FCAA C[C@]1(C(=O)NCC2CCN(S(=O)(=O)N3CCCC3)CC2)CCCO1 952967490 IESWCPUTYUNJCV-MRXNPFEDSA-N 359.492 0.724 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C2CCN(Cc3ccco3)CC2)C[C@H]1O 1529105928 KGWYDHIGROKCGJ-WMLDXEAASA-N 371.503 0.428 0 50 FCAA CN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O 1565525646 PUSULCPOTRFWIA-HOTGVXAUSA-N 352.460 0.499 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(Cl)cc1 1704298326 JPBYHELQVVDKKG-JSGCOSHPSA-N 360.863 0.905 0 50 FCAA CN1CC2(CCN(C(=O)CN3CCOc4ccccc4C3)CC2)OCC1=O 1772810625 NHSZSJJWZFGEKK-UHFFFAOYSA-N 373.453 0.731 0 50 FCAA Cc1nnc(N2C[C@H](C(=O)N3CCC4(CC3)COC(=O)O4)CC2=O)s1 1857722441 VPTUGONFCHFHBG-SNVBAGLBSA-N 366.399 0.727 0 50 FCAA COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCc4ncnn4C3)CC2)cc1 1857729146 KRMICXWRGWBYAH-HNNXBMFYSA-N 369.425 0.976 0 50 FCAA C=CC(=O)N1CCC(C(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)CC1 1875365679 NXWWKXCJKQVDQI-UHFFFAOYSA-N 369.372 0.077 0 50 FCAA O=C(NCCN1CCCS1(=O)=O)C(=O)N[C@H]1CCCc2ccccc21 2325818239 SXLATTSPJMUVSG-HNNXBMFYSA-N 365.455 0.332 0 50 FCAA CN1CC(=O)N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2C1=O 14750102 JOTVHKBUWOIAPI-MRXNPFEDSA-N 357.389 0.496 0 50 FCAA Nc1nnc(CCNC(=O)CCCn2cnc3ccccc3c2=O)s1 65409420 SUOWQDWOYTYVFD-UHFFFAOYSA-N 358.427 0.969 0 50 FCAA CCn1c(C2CCN(C(=O)Cn3nc4ccccc4n3)CC2)nn(C)c1=O 67726553 AWUQCMZSXRGBRG-UHFFFAOYSA-N 369.429 0.753 0 50 FCAA CC(C)c1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)no1 72165548 SNKVCNVQAUQIFV-CQSZACIVSA-N 372.429 0.595 0 50 FCAA CNS(=O)(=O)CCNc1nc(-c2ccccn2)nc2c1c(C)nn2C 72407119 DCZMSPFKQYPOMV-UHFFFAOYSA-N 361.431 0.695 0 50 FCAA O=C(C[C@@H]1COCCN1C(=O)Cc1ccccn1)NCCn1cccn1 72479929 YINKXYLEJVPZBE-MRXNPFEDSA-N 357.414 0.255 0 50 FCAA O=C(CCc1cc2n(n1)CCCNC2)N[C@H]1CCCN(c2ncccn2)C1 72481048 MNSPXGOBCCUGMT-INIZCTEOSA-N 369.473 0.884 0 50 FCAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2)N1CCOCC1 77353533 PPWWGFYMLARXBL-BOSXTWCSSA-N 369.421 0.265 0 50 FCAA COC1CCN(S(=O)(=O)N2CC[C@H](Cc3ccc(=O)[nH]c3)C2)CC1 91769149 NOUBZCSHVCZPDU-CQSZACIVSA-N 355.460 0.595 0 50 FCAA CCn1cncc1CNS(=O)(=O)c1cccc(C(=O)NCCOC)c1 95522967 OLQSKQMAGURYMK-UHFFFAOYSA-N 366.443 0.758 0 50 FCAA CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CC2 95531781 UXHOIQGPLWROHW-CQSZACIVSA-N 362.478 0.196 0 50 FCAA COCc1noc(CCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 96142232 KNPIOFVKZXTWRU-UHFFFAOYSA-N 355.376 0.228 0 50 FCAA OCCOCCOCCOCCOCCOCCO[C@H]1CCCCO1 96503435 ABJWCLPYMPRGRB-KRWDZBQOSA-N 366.451 0.605 0 50 FCAA CS(=O)(=O)CCN1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 97785160 CGQNGHWAXCJYMQ-HNNXBMFYSA-N 365.455 0.050 0 50 FCAA O=C(NCCCn1ccccc1=O)[C@H]1Cc2ccccc2S(=O)(=O)N1 214995764 KFCQDPZKEXBRDP-CQSZACIVSA-N 361.423 0.258 0 50 FCAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cnnn2)cc1O 216210602 ZMNCMQLPFVMOPR-GFCCVEGCSA-N 359.386 0.826 0 50 FCAA Cc1ccc2c(c1)N(CC(=O)N1CC[C@]3(CN(C)C(=O)O3)C1)C(=O)CO2 219943146 FWJVWDSDRSKGLQ-SFHVURJKSA-N 359.382 0.774 0 50 FCAA CC(C)c1noc([C@H]2CCCCN2C(=O)Cc2c[nH]c(=O)n(C)c2=O)n1 220335828 FEFJUUHIYSOLEX-GFCCVEGCSA-N 361.402 0.876 0 50 FCAA CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H](O)CN1 237238127 OTVBHUYONGOYDD-MDZLAQPJSA-N 362.348 0.626 0 50 FCAA CCCNC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cnn1C 239274733 APUXDRCNECXRIV-WISYIIOYSA-N 350.375 0.377 0 50 FCAA CCCn1cc(S(=O)(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cn1 243901144 AYRDSVUZJZJYEM-LNSITVRQSA-N 353.448 0.817 0 50 FCAA Cc1cc(=O)n(CCN2CCN(c3ccc4nccn4n3)CC2)c(O)n1 253536404 DTMFGUFQHSNVKH-UHFFFAOYSA-N 355.402 0.122 0 50 FCAA COC(=O)c1cc(NC(=O)[C@@H](C)N2CC[C@H](O)C2)cc(C(=O)OC)c1 265162697 BZGBKBZRFKHVCP-YGRLFVJLSA-N 350.371 0.653 0 50 FCAA CS(=O)(=O)[C@H]1CCCN(C(=O)c2cccnc2N2CCOCC2)C1 274182114 OXSVGFPWKVKNGH-ZDUSSCGKSA-N 353.444 0.567 0 50 FCAA NC(=O)c1ncn(C2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c1N 283005561 VYZUGSFWNKHHPQ-ZDUSSCGKSA-N 369.425 0.979 0 50 FCAA Nc1nc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc2ccccc12 299745559 RBLARIKCTZWDMC-DOMZBBRYSA-N 359.405 0.983 0 50 FCAA CC(C)c1nc(CCNC(=O)CNS(=O)(=O)c2cccs2)no1 299761750 XZBQHVUZRLMPET-UHFFFAOYSA-N 358.445 0.892 0 50 FCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 299772583 CNXQVHMTOCUINV-LLVKDONJSA-N 357.407 0.083 0 50 FCAA Cn1c(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc(=O)n(C)c1=O 299791212 CTVRBBNOXOLDHF-GFCCVEGCSA-N 360.389 0.479 0 50 FCAA O=C(O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 299798995 SEQBKXFDVBEPCK-KBPBESRZSA-N 364.383 0.511 0 50 FCAA Cc1c([C@H]2[C@H](CNc3nccn(C4CC4)c3=O)CC(=O)N2C)cnn1C 328611837 MVMNJLKHFOGLGX-BLLLJJGKSA-N 356.430 1.252 0 50 FCAA Cn1ccnc(NC[C@H]2CN(Cc3ccc4c[nH]nc4c3)CCO2)c1=O 328625334 CZWAFFHTZITUJU-HNNXBMFYSA-N 354.414 0.970 0 50 FCAA NC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)Cn2cnnn2)CCO3)s1 363022717 LVMNCFODZKLEST-UHFFFAOYSA-N 370.394 0.926 0 50 FCAA CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1 426370160 ATCPTHHMCJUPNJ-OAHLLOKOSA-N 355.398 0.703 0 50 FCAA CC(=O)N1CCN(C(=O)NCCc2cnn(-c3ccccc3)c2)C[C@H](O)C1 426556065 WGJNFXIXEREQGR-GOSISDBHSA-N 371.441 0.649 0 50 FCAA Cn1c2c(cc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)c1=O)CCCC2 426707182 KIVUPJXFCIMTBE-LLVKDONJSA-N 353.444 0.015 0 50 FCAA CCCn1cnnc1CN(C)C(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1 584903652 RTOSMAZBSSFAIS-CYBMUJFWSA-N 372.495 0.501 0 50 FCAA NC(=O)c1ccc(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)s1 791803271 AGTJLHUXFDOWFR-UHFFFAOYSA-N 368.383 0.714 0 50 FCAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)COCc1nccn1C)C2 888095200 RPSSIBUVMGNBMC-KJWYOANISA-N 350.463 0.533 0 50 FCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)CSc1ccncc1 1565528027 OXQLTZGQRRYEOF-KBPBESRZSA-N 353.444 0.552 0 50 FCAA O=C1CCC(CCC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)=NN1 1565528539 YTXVZCZFVSIVAL-HOTGVXAUSA-N 360.414 0.918 0 50 FCAA COc1c(C)cccc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704299169 NCYABYVIWIEOMP-GXTWGEPZSA-N 356.444 0.640 0 50 FCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1704312021 JHFSZRIRHNHHTA-HIFRSBDPSA-N 372.418 0.373 0 50 FCAA COCC(=O)N[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H]1c1nccn1C 1775960918 OBUWFNRDIOXDAQ-BXUZGUMPSA-N 371.397 0.865 0 50 FCAA Cn1c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc(=O)n(C)c1=O 1875365351 BKOCRFKTDTXHKR-OAHLLOKOSA-N 370.409 0.005 0 50 FCAA Cn1[nH]c(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)nc1=O 2100483818 OEWQMVGHMGPWLE-DOMZBBRYSA-N 353.382 0.332 0 50 FCAA C[C@H]1CN(C(=O)c2cnc[nH]2)CC[C@H]1NC(=O)c1cccc2nn[nH]c12 2325826201 UDJCTZAVZFGLMA-CMPLNLGQSA-N 353.386 0.962 0 50 FCAA CN(C)[C@H]1C[C@H](C(=O)NC[C@@]2(CO)COCCN2Cc2ccccc2)C1 2325849060 ATTGVDPPGOVHAO-QWFCFKBJSA-N 361.486 0.706 0 50 FCAA NC(=O)[C@@H](NC(=O)C[C@@H]1SC2=NCCN2C1=O)c1ccc(F)cc1 2325861540 SWJANMMEXDLBKB-JQWIXIFHSA-N 350.375 0.172 0 50 FCAA COC(=O)[C@@H](C)Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1 804843 SVULASZBJBKLEA-LLVKDONJSA-N 369.447 0.198 0 50 FCAA COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 4694767 IDJPXNRCNCATBT-IZZDOVSWSA-N 350.352 0.760 0 50 FCAA CC(C)OCCCNC(=O)Cn1nnnc1CN1C[C@H](C)O[C@H](C)C1 20206153 IBSJFYFLKXUGGX-OKILXGFUSA-N 354.455 0.214 0 50 FCAA COC(=O)c1cc2n(n1)CCN(C(=O)CCn1nnc3ccccc31)C2 65409808 GURCRSNSTQPUOU-UHFFFAOYSA-N 354.370 0.847 0 50 FCAA COC(=O)[C@]1(C)N[C@H](c2ccc(OC)cc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65527074 KVYUWWLAADGJOX-HPTBWKMGSA-N 350.346 0.641 0 50 FCAA O=C(NCCO)c1cc2n(n1)CCN(C(=O)c1n[nH]c3ccccc13)C2 67513725 KQPQYLKARRINKO-UHFFFAOYSA-N 354.370 0.138 0 50 FCAA CSCC(=O)N1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72433536 PWMGYRMEROBKAW-ZDUSSCGKSA-N 367.519 0.841 0 50 FCAA O=C1CC[C@H](C(=O)N2CCCN(C(=O)CCOc3ccccc3)CC2)N1 75036240 HVBCBSJSJMHODE-MRXNPFEDSA-N 359.426 0.795 0 50 FCAA CCN(Cc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOC)C(=O)[C@@H]13)O2 77321894 RTULZQHXIIAEQG-XLSPSMHOSA-N 371.437 0.859 0 50 FCAA CNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CCCN(CC(N)=O)C1)C2 91270364 LQDNQVGEQGYDKS-LLVKDONJSA-N 364.471 0.190 0 50 FCAA CCN1CCN(CC(=O)N[C@H]2CN(C(C)=O)C[C@@H]2c2ccccc2)CC1 91694295 SMVBYKQLAITNII-MOPGFXCFSA-N 358.486 0.755 0 50 FCAA CCC[C@H]1CN(c2ncccc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O 91745893 AKDIPHRHPDMSHC-AAEUAGOBSA-N 358.439 0.491 0 50 FCAA CN(C)CCN1C[C@H](C(=O)NC2CCN(Cc3ccncc3)CC2)CC1=O 95359133 LBNGPEUEIJJMEW-QGZVFWFLSA-N 373.501 0.572 0 50 FCAA O=C(Cn1c(=O)cnc2ccccc21)N1CCCO[C@H](Cn2cccn2)C1 95527322 DJLIGFDGGUNUGP-HNNXBMFYSA-N 367.409 0.911 0 50 FCAA COC[C@@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C1CC1 151557982 RDNJMPJEZFSGPX-OAHLLOKOSA-N 359.430 0.919 0 50 FCAA O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)Nc1cccc(F)c1 169772611 HYPUFHQIYHWYMP-UHFFFAOYSA-N 369.374 0.263 0 50 FCAA Cc1cccc(=O)n1CCCNC(=O)[C@H](c1ccccc1)n1cnnn1 221322754 BCPWCFDOGDTBLG-KRWDZBQOSA-N 352.398 0.939 0 50 FCAA CCc1nc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cs1 230582206 OAKNJQRTBNWAGR-CQSZACIVSA-N 370.500 0.996 0 50 FCAA Cc1cc(C)n(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)n1 247984350 YNBRAAIWVGEEJK-CABCVRRESA-N 369.491 0.229 0 50 FCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(OC)cc3C2)C1 271461343 HXDURJLQFTWJKL-ZFWWWQNUSA-N 368.455 0.787 0 50 FCAA CN1CCN(C(=O)c2cccc(-c3cncnc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 299799231 DUSWCRFPSLRJNY-SJORKVTESA-N 372.450 0.697 0 50 FCAA COCCn1nnnc1[C@H]1CN(C(=O)c2cccc(F)c2F)CCO1 299800565 HMCAZHBBYMFYPF-GFCCVEGCSA-N 353.329 0.811 0 50 FCAA CN(CC(=O)N1CCCN(CC2CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 328980142 DFCQHGVBJBLFOV-MRXNPFEDSA-N 357.520 0.440 0 50 FCAA COC(=O)c1cn([C@@H](CO)[C@H](O)c2ccc(N)cc2)cc2c(O)nnc1-2 409415482 LOZYPNQGFGOHAJ-DZGCQCFKSA-N 358.354 0.724 0 50 FCAA C[C@]1(C(N)=O)CCCCN1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 425430046 CPZRXXBQULVBNF-QGZVFWFLSA-N 367.471 0.436 0 50 FCAA Cc1nc(C)n(CCCNC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)n1 534663415 XVNYCPXJAIPIKW-HNNXBMFYSA-N 360.418 0.386 0 50 FCAA NS(=O)(=O)c1ccc(CNC(=O)CCN2CCCCCC2=O)cc1 827819975 SMAAOVTZSBCPFW-UHFFFAOYSA-N 353.444 0.743 0 50 FCAA CN(CCC(=O)N(CC(=O)O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 952872835 DWPOZWFMHKAEGA-HNNXBMFYSA-N 368.455 0.609 0 50 FCAA O=C(NC[C@@H]1CCCN(C(=O)Cn2cccnc2=O)C1)C1CCOCC1 1506420437 HBXQTPFKXSVQIC-AWEZNQCLSA-N 362.430 0.025 0 50 FCAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(C)C(=O)[C@@H]1C(C)C 1506428827 QXEMCBJWBFBOCB-AWEZNQCLSA-N 370.427 0.881 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCc2cccc(Cl)c2)C[C@H]1O 1529101152 AVCVTRLNRPKXOX-DZGCQCFKSA-N 374.890 0.983 0 50 FCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(N2CC(=O)NC2=O)cc1 1565508193 NPWSBVPMALGFIC-UKMLZYKCSA-N 358.398 0.190 0 50 FCAA O=C1C[C@@H](C(=O)N2CCCN(C(=O)NCc3cccc(F)c3)CC2)CN1 1772809529 DEBLGAOKQGBKBA-CQSZACIVSA-N 362.405 0.706 0 50 FCAA O=C(N=c1ccn(-c2ncccn2)[nH]1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 2325824637 KLQPBKJEMGIFCM-SNVBAGLBSA-N 355.362 0.319 0 50 FCAA O=S1(=O)CC[C@@H](n2nc(-c3ccoc3)nc2C[C@@H]2COC[C@H]2O)C1 2325849616 VMGXCIFFIPSYSA-JHJVBQTASA-N 353.400 0.448 0 50 FCAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)NC4CCC4)cc3C2=O)C(=O)N1 2325887222 YMHAKFSAKLEANS-OAHLLOKOSA-N 370.409 0.799 0 50 FCAA Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccccc2)n(C)c1=O 623390 UCNPEYHYXBMSRJ-UHFFFAOYSA-N 355.398 0.319 0 50 FCAA biogenic O=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 11951010 CPFMAELRQACSAN-AWEZNQCLSA-N 362.405 0.706 0 50 FCAA O=C1CCCCN1c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 12002265 UZVMUAUYJZAWMX-LBPRGKRZSA-N 372.468 0.669 0 50 FCAA Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1N(C)S(C)(=O)=O 65361962 XRDIZSMQAQXINV-UHFFFAOYSA-N 353.444 0.728 0 50 FCAA CCc1nn(C)c(Cl)c1CN1CCN(c2cc(N)nc(N)n2)CC1 67713422 WIWUXTUMMBGWSF-UHFFFAOYSA-N 350.858 0.913 0 50 FCAA O=C(NCCCc1ccccn1)c1ccc(N2CCN(CCO)CC2)nc1 67974509 YTFFQNIHDXUNEY-UHFFFAOYSA-N 369.469 0.954 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72156641 DCSNYCLDPLLSKU-INIZCTEOSA-N 356.426 0.240 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(Cc2cnc[nH]2)C1 72431658 MDFWCJVCESQWJJ-AWEZNQCLSA-N 359.478 0.875 0 50 FCAA Cc1cc(C)c2[nH]c(=O)c(CN3C[C@H]4C(=O)NC[C@@]4(C(=O)O)C3)cc2c1 72462775 CFRAQSIOBOPJQS-IFXJQAMLSA-N 355.394 0.778 0 50 FCAA O=C(C[C@H]1COCCN1C(=O)CN1CCOC1=O)N1Cc2ccccc2C1 72477899 PPZYWYUMPMNCPE-INIZCTEOSA-N 373.409 0.599 0 50 FCAA O=C(c1cccnc1N1CCOC[C@@](O)(CN2CCCC2)C1)N1CCCC1 77297758 UXZRKJKPPLLCHM-HXUWFJFHSA-N 374.485 0.981 0 50 FCAA CCC[C@@H](NC(C)=O)C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2 77427336 OGKCNAOMTGIMMO-OAHLLOKOSA-N 368.478 0.666 0 50 FCAA O=C1NC(=O)[C@H](CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)N1 82109513 KPRVBEMADGFCAY-LBPRGKRZSA-N 357.370 0.010 0 50 FCAA Cn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 91620059 CSFCECQCDPKYQV-UHFFFAOYSA-N 367.413 0.768 0 50 FCAA Cc1cc(C(F)(F)F)nc(CNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)n1 92108025 KKQIKMICAROENC-MRVPVSSYSA-N 359.308 0.703 0 50 FCAA NS(=O)(=O)Cc1cccc(NC(=O)NCCN2CCCC[C@H]2CO)c1 96133827 KIVWVYRGCUKBQE-HNNXBMFYSA-N 370.475 0.443 0 50 FCAA CCCc1nnc(N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)s1 96179615 LZQDDOZVRXNKDW-NOZJJQNGSA-N 360.461 0.273 0 50 FCAA O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 102878500 BGNQSDPDYFCGJJ-FOLVSLTJSA-N 369.469 0.488 0 50 FCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 152783614 LZCMAHRRRVKXDY-QGZVFWFLSA-N 372.469 0.110 0 50 FCAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 153187004 INVBPKNREOLAKY-HZPDHXFCSA-N 364.490 0.543 0 50 FCAA CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@](C)(CO)C2)c1 170596292 OQWGBZCEXRTIEL-KRWDZBQOSA-N 368.455 0.789 0 50 FCAA Cn1cc(C(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)c(=O)[nH]c1=O 222741538 FUQPQKPALIEGQA-NSHDSACASA-N 362.817 0.983 0 50 FCAA Cc1cc(S(=O)(=O)NCCc2nc(=O)o[nH]2)ccc1Br 225391041 ZKYYSWHGUJBBLO-UHFFFAOYSA-N 362.205 0.955 0 50 FCAA O=C(O)c1cccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCOCC2)C3)c1 252499415 SAHOQXDXDDMKPD-UHFFFAOYSA-N 370.409 0.992 0 50 FCAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)c2c(O)n1 263616079 GWFFWLFNGYIWGV-UHFFFAOYSA-N 360.418 0.763 0 50 FCAA Cc1cc(C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)c(C(F)(F)F)o1 276683444 ZVCWFUGLZJNSIE-SNVBAGLBSA-N 363.336 0.865 0 50 FCAA CC1(C)Cc2cccc(CN3CCN(C(=O)Cn4cnnn4)CC3)c2O1 289666855 DFYCQMPZDCBCAK-UHFFFAOYSA-N 356.430 0.731 0 50 FCAA Cc1ccc(F)cc1CC(=O)N1CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C1 299755622 BAZZTQJMBNVZQE-HUUCEWRRSA-N 373.450 0.034 0 50 FCAA CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)co1 331374463 GFXYPEYZNKLWIR-NSHDSACASA-N 353.404 0.332 0 50 FCAA O=S(=O)(N1CCCC1)N1CCOC2(CCN(Cc3cnc[nH]3)CC2)C1 828388877 YUOQEARIDRTYIS-UHFFFAOYSA-N 369.491 0.417 0 50 FCAA O=C(NCc1nc(-c2ccncc2)n[nH]1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 828901968 GZWBLYQXNIYLMN-CRWXNKLISA-N 358.402 0.140 0 50 FCAA C=CC(=O)N(C)CC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 862166452 ZZUKPVVELUGMKZ-GASCZTMLSA-N 355.394 0.274 0 50 FCAA C[C@H]1CCCN(c2cc(C(=O)N(C)CCNS(C)(=O)=O)ccn2)C1 1323984503 ALMTXVYVVJLMLP-ZDUSSCGKSA-N 354.476 0.939 0 50 FCAA O=C(c1nc2ncc(Br)cn2n1)N1CCOC[C@]12CCOC2 1327031851 SBLNHGBLPQUTBN-CYBMUJFWSA-N 368.191 0.518 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)Cc2nc3ccccc3o2)C[C@H]1O 1529159008 MFZYGNXPCWTTSY-WCQYABFASA-N 367.427 0.081 0 50 FCAA Cc1c(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)cnn1C 1565515423 BSCPIHBISDOHEQ-HOTGVXAUSA-N 358.398 0.794 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc2nccnc2c1 1704298274 IYIDHULGRUXJCY-WFASDCNBSA-N 364.427 0.266 0 50 FCAA CN(C)CCn1cc(NC(=O)C(=O)Nc2ccc3cnn(C)c3c2)cn1 2325776165 YCYZCQSGUGMCKZ-UHFFFAOYSA-N 355.402 0.909 0 50 FCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1 4810398 JUEYNCHMRVHJQF-CYBMUJFWSA-N 363.439 0.384 0 50 FCAA CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 72151389 ASXCUOWGDYDGIR-INIZCTEOSA-N 371.441 0.313 0 50 FCAA CCc1nccn1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1 72422018 PRJJUFWYDZPCKE-OAHLLOKOSA-N 363.462 0.868 0 50 FCAA CS(=O)(=O)c1cnc(NCCN2CCOC2=O)nc1[C@@H]1CCCNC1 72425544 QTNOVOXWCBXTCW-LLVKDONJSA-N 369.447 0.211 0 50 FCAA CCN1CCN(C(=O)c2ccc(N(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77300364 NMUBEIRGMONHMY-CVEARBPZSA-N 351.472 0.696 0 50 FCAA Cc1nn(CC(=O)NCCn2ccnc2)c(=O)n1CCc1ccccc1 77379620 NXNIPKZIUAPXKO-UHFFFAOYSA-N 354.414 0.609 0 50 FCAA Cc1cccc(CCN2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95502693 JJBQBUABLBSFDL-DLBZAZTESA-N 365.499 0.898 0 50 FCAA Cn1cnn(CC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1=O 225531533 XFFAIHFYTGSHHU-SECBINFHSA-N 358.324 0.730 0 50 FCAA O=C(CCSc1nnc(-c2ccncc2)o1)NCCN1CCNC1=O 244659866 HKCDYXXXEJOIGT-UHFFFAOYSA-N 362.415 0.755 0 50 FCAA CCN(CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@@H]1CCS(=O)(=O)C1 252444030 UBVLDGGHUHYGFA-IOASZLSFSA-N 357.476 0.954 0 50 FCAA COC(=O)c1cn(CCS(=O)(=O)c2ccccc2)cc2c(=O)[nH]nc1-2 263588141 PNWLSEMKDXDGCX-UHFFFAOYSA-N 361.379 0.937 0 50 FCAA Cc1nnc(SCCCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 299768697 KFVDZQNENJDDSE-JTQLQIEISA-N 364.518 0.869 0 50 FCAA COc1cccc(SCC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1 299792764 GVTZWNJWXXHWOA-CYBMUJFWSA-N 374.484 0.564 0 50 FCAA CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 331800676 JZEPAHPMJFTGGC-ZDUSSCGKSA-N 374.484 0.666 0 50 FCAA CN1CCC[C@@H]1C(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 363999181 MIOHTSRVIDNUQL-OAHLLOKOSA-N 360.462 0.056 0 50 FCAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)[C@@H]2CCCN(C(C)=O)C2)O1 366985748 BDXWCAORGOLAIM-AMMHQNNLSA-N 352.431 0.955 0 50 FCAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 367375648 VUUDFMSDJBULJE-KBPBESRZSA-N 355.435 0.781 0 50 FCAA CC1(Cn2cc(C(=O)NS(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)nn2)COC1 408500333 PROBGDIGNOMAQV-NTZNESFSSA-N 354.432 0.563 0 50 FCAA Cc1c(C)[n+]([O-])c([C@@H](c2ccncc2)C2C(=O)N(C)C(=O)N(C)C2=O)n1C 409415700 YPTVSNPSGWUFGR-ZDUSSCGKSA-N 371.397 0.469 0 50 FCAA Nc1nnc(CCNC(=O)N2CCN(c3ccc4nccn4n3)CC2)s1 584890756 VJVXARQNWYUEDY-UHFFFAOYSA-N 373.446 0.237 0 50 FCAA Cc1cc(N2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)nc(N)n1 1506400011 GVRGTBSBPQRTFH-UHFFFAOYSA-N 365.397 0.338 0 50 FCAA Cc1nonc1CC(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C(=O)O)cc1 1565510430 YANZFFOFPMTQHS-GJZGRUSLSA-N 361.354 0.971 0 50 FCAA Nc1nc(-c2ccc(C(=O)N[C@H]3CNC[C@@H]3O)cc2)cc(N2CCCC2)n1 1565526651 ZNXIQRCNNDMSKM-HOTGVXAUSA-N 368.441 0.389 0 50 FCAA O=S(=O)(c1cccnc1C(F)(F)F)N1C[C@@H]2CNC[C@@]2(CO)C1 1772709124 HYRGHRKEVKHEDW-CABZTGNLSA-N 351.350 0.303 0 50 FCAA Cn1nnc(-c2ccc(C(=O)N3C[C@H](C(=O)O)C4(CCOCC4)C3)cc2)n1 1775980128 SLJWTMAWUIQIIL-CQSZACIVSA-N 371.397 0.831 0 50 FCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3ccc4c[nH]nc4n3)CC(=O)N21 1857705951 CDLMYOZADZBNFF-OBJOEFQTSA-N 371.397 0.582 0 50 FCAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(CC(=O)O)C[C@]23CC[C@H]1O3 1857729554 PFWYLXBXSVJGMV-MYQWFSQQSA-N 352.416 0.140 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)c2cn3cccnc3n2)[C@H]1c1cnn(C)c1 1857736524 KUZZNUXQRPDINJ-HOTGVXAUSA-N 369.429 0.607 0 50 FCAA Cn1cc(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875327139 RUYXNAXHNWLQLC-UHFFFAOYSA-N 367.369 0.544 0 50 FCAA C=CC(=O)N[C@@H](C)[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1 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CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1 426370153 ATCPTHHMCJUPNJ-HNNXBMFYSA-N 355.398 0.703 0 50 FCAA COCCN1C[C@H](CNC(=O)N2CCN(Cc3ccco3)CC2)CC1=O 426474437 WGMHDLZZHJZVDJ-HNNXBMFYSA-N 364.446 0.602 0 50 FCAA COCc1nc([C@H]2CCOC2)cc(N2CCN(S(C)(=O)=O)CC2)n1 426575085 VXYHRPWMFWHIQV-LBPRGKRZSA-N 356.448 0.209 0 50 FCAA CCN1C(=O)C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1nccn1C 886062959 AXJSZDREQHWAEN-MEDUHNTESA-N 356.430 0.971 0 50 FCAA O=C(CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2)N1CCNCC1 1565526983 NUQFFGGQRBYJFB-HOTGVXAUSA-N 357.458 0.050 0 50 FCAA Cc1nc(CN2CC[C@H](NC(=O)c3nc4ncccn4n3)[C@@H](O)C2)cs1 1565529196 OQIRSOBHLSGJIU-STQMWFEESA-N 373.442 0.254 0 50 FCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC[C@@H](c2nnc3ccccn23)C1 1857674730 WBSHHYIOMHXEEG-LLVKDONJSA-N 364.373 0.448 0 50 FCAA CN1CCN(c2noc([C@H]3CCc4nnc(C(C)(C)C)n4C3)n2)CC1=O 1875326795 MUSJAPJARBLRGL-NSHDSACASA-N 359.434 0.967 0 50 FCAA CNc1cccc(C(=O)N2CCC[C@@H]2CCNC(=O)[C@@H]2CCC(=O)N2)n1 1875331879 YIWSOKJJLCSYBN-OLZOCXBDSA-N 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WEYGKWRZXOYHKB-OAHLLOKOSA-N 365.499 0.927 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@@H]2CN(C)S(=O)(=O)c3ccsc32)n1 1506399875 KGXIBTMPOXVBTR-SECBINFHSA-N 355.445 0.327 0 50 FCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCC(O)CC2)cc1OC 1529119633 ZKRWCLKXWMUBES-SJORKVTESA-N 364.398 0.243 0 50 FCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1CCN(Cc2ccco2)CC1 1565513592 YMQMQJWAPGDFPH-MHORFTMASA-N 361.442 0.900 0 50 FCAA COc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)c(OC)cc1C 1704305025 OGMUQFYYQDVSSW-QWRGUYRKSA-N 359.400 0.468 0 50 FCAA CCc1cc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)ccc1OC 1704332544 RLKHXWPBJQZJIX-OLZOCXBDSA-N 354.428 0.393 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772805778 RZVGYLSCJHMVME-HIFRSBDPSA-N 356.430 0.610 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCCN(c3nc4ccccc4n3CCO)CC2)N1 1772809382 VQCCDFMLLXDFGE-HNNXBMFYSA-N 371.441 0.346 0 50 FCAA CN1CCOC2(CCN(c3ncc(F)c(N4CCOCC4)n3)CC2)C1 1772810593 MSMZLKIRAYBAPJ-UHFFFAOYSA-N 351.426 0.753 0 50 FCAA Cc1nc(C[C@H]2C(=O)NCCN2Cc2ccccc2)n(-c2cnn(C)c2)n1 1800412013 UJHLQVXCLGUZFV-KRWDZBQOSA-N 365.441 0.852 0 50 FCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)C[C@@H]12 1857695239 AQBOBYOWGNPGJM-BBWFWOEESA-N 374.466 0.876 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 1875371979 SNMZNFQAEHJDMW-SWLSCSKDSA-N 359.430 0.455 0 50 FCAA CC[C@H](NC(=O)Cn1cnc2c(O)nc(=N)[nH]c21)c1c(C)nn(C)c1C 2325826086 OGMRUKZBENHZQJ-JTQLQIEISA-N 358.406 0.562 0 50 FCAA NCCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325899031 KEFDVVNANDATRR-CYBMUJFWSA-N 372.381 0.155 0 50 FCAA Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)c2c(O)nc(=O)n(C)c2n1 2356165720 HEXUYDGYOXRCOG-AOOOYVTPSA-N 360.370 0.716 0 50 FCAA COC(=O)Cc1c(O)ccn(CCc2ccc(S(N)(=O)=O)cc2)c1=O 6228675 NFWRONQQUZEAKS-UHFFFAOYSA-N 366.395 0.160 0 50 FCAA Cc1ccccc1OC1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1 77505230 ILLOJEPUZVLTMW-UHFFFAOYSA-N 357.410 0.995 0 50 FCAA CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)CC1 77555304 XRBNGAXFNFGOCJ-BOSXTWCSSA-N 368.437 0.138 0 50 FCAA CCC[C@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1NS(C)(=O)=O 91459949 BPAOPLUOINBRHQ-JSGCOSHPSA-N 355.460 0.484 0 50 FCAA COCCN1CC[C@]2(CCC1=O)CN(C(=O)c1ccon1)CCN2C 91906434 JQAKYGXXXWJHON-QGZVFWFLSA-N 350.419 0.460 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc3c(c1)OCCO3)C2 95510877 FXEBRBBYKJRORY-JKSUJKDBSA-N 373.453 0.969 0 50 FCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)C2 216350441 ISXNVOMOARUMLR-KGLIPLIRSA-N 366.439 0.840 0 50 FCAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc3[nH]c(CO)nc3c2)C1 219317848 GZOVONZXAOLRPL-PHIMTYICSA-N 356.386 0.352 0 50 FCAA Cc1cccnc1NCCNC(=O)[C@@H]1Cc2ccccc2S(=O)(=O)N1 220342487 IRQVOWMMVLACLU-AWEZNQCLSA-N 360.439 0.821 0 50 FCAA COC(=O)c1ccc(NC(=O)COc2c(C)n(CCO)ccc2=O)cc1 263585160 FTDVECGDJMGNKX-UHFFFAOYSA-N 360.366 0.953 0 50 FCAA biogenic COc1cc(CN2CC[C@H](NC(=O)[C@H](C)NC(N)=O)C2)cc(OC)c1 267972598 CGWYYCHKUAZKPD-AAEUAGOBSA-N 350.419 0.451 0 50 FCAA CC(C)NS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 284364148 TUBGVFSMMWIRNV-ZDUSSCGKSA-N 374.532 0.786 0 50 FCAA O=C(O)[C@H]1COCCN1C(=O)CCN1C(=O)CCc2cc(F)ccc21 299751115 POSNVLVFJJCPHF-CQSZACIVSA-N 350.346 0.807 0 50 FCAA O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cnccn1 299755074 BBCMBPYWPUWRED-MRXNPFEDSA-N 373.457 0.451 0 50 FCAA COCc1n[nH]c(C)c1-c1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1 534655163 XPSQUOODFFXBRE-MRXNPFEDSA-N 372.425 0.855 0 50 FCAA Nc1n[nH]c(SCC(=O)N2CCCN(C(=O)c3ccco3)CC2)n1 1529098877 NPCBOJIPKLOGJP-UHFFFAOYSA-N 350.404 0.447 0 50 FCAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(C(=O)C3=NNC(=O)CC3)CC2)C1 1529145596 DDFUKROIVYEVRD-CQSZACIVSA-N 363.418 0.114 0 50 FCAA CN(C)C(=O)CN1CC2(CCN(C[C@H]3CCOC3)CC2)OCCC1=O 1704311696 QTHULZXQUPQKRJ-OAHLLOKOSA-N 353.463 0.195 0 50 FCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704338916 KPLZSQFHSPQXDW-CZUORRHYSA-N 368.393 0.460 0 50 FCAA CN(C)C[C@@]12CN(Cc3cnc[nH]3)C[C@@H]1CN(C(=O)Cc1cccnc1)C2 1772817439 PGVHCVQKTOKADF-XLIONFOSSA-N 368.485 0.869 0 50 FCAA NC(=O)Cc1nc([C@@H]2CCc3ncnn3C2)n(CCc2ccccc2)n1 1857717231 NTOVIIXZTGGXIF-CQSZACIVSA-N 351.414 0.870 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@@H]1O 1857723994 GUEYPFFXBPIBJX-ZFWWWQNUSA-N 367.471 0.369 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc2cc[nH]c2n1 1875241628 CWEPSPLYYABWTL-WCQYABFASA-N 352.416 0.199 0 50 FCAA COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)NCc1ccc(F)cc1 1875298317 WURFATJMLJVLTN-LSDHHAIUSA-N 362.423 0.570 0 50 FCAA CCn1nc(C)c(C(=O)N2C[C@@H]3CN([C@H](C)c4n[nH]c(C)n4)C[C@@H]3C2)n1 1875406807 MMDAGCWCKPZSNN-BNOWGMLFSA-N 358.450 0.798 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)c3ccc4ccn(C)c4n3)CC2)C(=O)N1 2100537734 SNNXZJZRRDDZKV-UHFFFAOYSA-N 354.414 0.596 0 50 FCAA COc1ccc(-n2cccn2)cc1CN1Cc2nncn2C[C@@H]1C(=O)O 2325798326 MREVXWNSUZFWHZ-CQSZACIVSA-N 354.370 0.941 0 50 FCAA CN(c1ccc(C(=O)NC[C@H](O)c2cccc(O)n2)cc1)S(C)(=O)=O 2356142411 QVJRCSKOJPCJBR-AWEZNQCLSA-N 365.411 0.646 0 50 FCAA C[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(C)(=O)=O 10119371 XMGBHPMPRKMJBG-LLVKDONJSA-N 360.457 0.418 0 50 FCAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2CC2)cc(OC)c1 12594103 CCRBQCONMVSVIA-KRWDZBQOSA-N 361.442 0.921 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCCOc1cccnc1 55370619 JAIMXOIPEQRDMM-INIZCTEOSA-N 358.398 0.560 0 50 FCAA NC(=O)c1cc2c(nc1N1CCC(C(=O)O)(n3cccn3)CC1)CCC2 72421115 NEZRQIFNJZLGOF-UHFFFAOYSA-N 355.398 0.946 0 50 FCAA Cc1ncc(CN2CCN(Cc3ccncc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72428066 IOPKXLNPIGYCRC-MSOLQXFVSA-N 373.482 0.663 0 50 FCAA OCC[C@H]1CN(c2ncnc3c2CCNCC3)CCN1Cc1ccoc1 72480811 AWAFDWJOIIKDQH-INIZCTEOSA-N 357.458 0.831 0 50 FCAA O=C(c1ccccc1-n1cncn1)N1CCOC[C@](O)(CN2CCCC2)C1 77487712 BSVJNQDSQYTTBD-IBGZPJMESA-N 371.441 0.567 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(CCCCO)CC1 77503243 DPAFBKJPDDLSHS-UHFFFAOYSA-N 351.495 0.724 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1cn(CC[C@@H]3CCCCN3)nn1)C2 82166880 VXWQWSWIKJBNNB-ZDUSSCGKSA-N 371.445 0.368 0 50 FCAA CC(C)N1CCC[C@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1=O 91694496 MKYROOYWFHIRKD-GOSISDBHSA-N 364.446 0.566 0 50 FCAA O=C(c1cnn2ccccc12)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91829136 VVSHSFGBPYPXHY-HZPDHXFCSA-N 358.442 0.737 0 50 FCAA CCN(C)C(=O)c1cccc(S(=O)(=O)NCc2noc(COC)n2)c1 95357109 XDRUQQXQMICWDX-UHFFFAOYSA-N 368.415 0.786 0 50 FCAA O=C(c1cnc(-c2cccnc2)nc1)N1CCc2c([nH]n(CCO)c2=O)C1 95372368 ZSGNHQIEFCCAHO-UHFFFAOYSA-N 366.381 0.219 0 50 FCAA O=C(C1CCN(Cc2ccco2)CC1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 95373982 HXOUNVVWTOELEC-ROUUACIJSA-N 363.458 0.396 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)NC(=O)N1 97522061 BTBKSLUTOCRDRU-ZDUSSCGKSA-N 368.397 0.318 0 50 FCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2ccc(CN(C)S(C)(=O)=O)o2)C1 97610072 VRVZQQXSLJEDPX-RISCZKNCSA-N 359.448 0.260 0 50 FCAA Cc1c(-c2cc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)on2)cnn1C 185163312 ANNDEXKBAZBJDP-UHFFFAOYSA-N 355.358 0.179 0 50 FCAA Cc1nn(C)c2sc(C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)cc12 186662265 YHAASTSTHTZTSH-GFCCVEGCSA-N 361.471 0.980 0 50 FCAA CCNC(=O)c1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCNC)C2)nc1 215336537 BMDWFOMTPRTDDO-CVEARBPZSA-N 359.474 0.868 0 50 FCAA CCc1cc(C(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)no1 219501568 WFMCVGBUTDZWLG-INIZCTEOSA-N 356.386 0.905 0 50 FCAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C)CC1 222858059 RQJLKRMLAJEERN-HZPDHXFCSA-N 352.435 0.923 0 50 FCAA O=C(CCCN1CCCC1=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 240517206 NWSBVUXUTGLEDQ-IAGOWNOFSA-N 360.458 0.536 0 50 FCAA CCOCCN1CCN(Cc2nnc([C@H]3C[C@H](NC(C)=O)C3)n2C)CC1 252570438 WTHJLKWIBCFVMI-WKILWMFISA-N 364.494 0.351 0 50 FCAA COc1cccc(C(=O)N2CCC(C(=O)NCCS(C)(=O)=O)CC2)c1 299774498 JQAOLGBLNBSCAG-UHFFFAOYSA-N 368.455 0.708 0 50 FCAA Cc1nc(N)ncc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299800844 WQIHCVZOISSBDI-UHFFFAOYSA-N 357.418 0.492 0 50 FCAA O=C([C@@H]1COCCN1CC(F)(F)F)N1CCOCC2(CCOCC2)C1 329366245 GVSYOORTJAPECA-ZDUSSCGKSA-N 366.380 0.905 0 50 FCAA Cc1cn2c(n1)CN(C(=O)C1=NN(c3ccccc3)C(=O)[C@H](C)N1)CC2 373320096 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FCAA CNC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1 225473640 AEFAGBYPQCEANQ-UHFFFAOYSA-N 361.786 0.926 0 50 FCAA CC(=O)NCc1ccc(S(=O)(=O)N2CCOC[C@@]23CCOC3)s1 282478597 IXELBQIUFINPHN-AWEZNQCLSA-N 360.457 0.564 0 50 FCAA CN(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)Cc1ccccn1 299780417 JRKPPASQHFQXTK-MRXNPFEDSA-N 360.458 0.611 0 50 FCAA COc1nc(-c2cccc(C(=O)N(CCO)Cc3nccn3C)c2)nn1C 299781374 DQJZIAQWVKBKRS-UHFFFAOYSA-N 370.413 0.859 0 50 FCAA Cc1nc2cncc(N3CCN(C(=O)c4cccn(C)c4=O)CC3)n2n1 333276656 ONYVMPNYZCBNSK-UHFFFAOYSA-N 353.386 0.094 0 50 FCAA Cn1cnnc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 363441994 LLHYFSCCJXIVOU-LBPRGKRZSA-N 357.370 0.465 0 50 FCAA CS(=O)(=O)CCC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 370076418 FYVCFONIMHETJP-UHFFFAOYSA-N 370.446 0.864 0 50 FCAA CCn1cnnc1CCNC(=O)N1CCN(CC2CC2)[C@H](CCO)C1 426613606 JCDCYWVREVUOMV-OAHLLOKOSA-N 350.467 0.329 0 50 FCAA Cn1ccnc1CNC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 534590209 HZZNYEQULOYSFX-UHFFFAOYSA-N 371.445 0.758 0 50 FCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2COCC[C@H]2O)(c2ccccc2)CC1 871191857 VVKNOUMYXPHSMI-IAGOWNOFSA-N 358.438 0.999 0 50 FCAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 888093547 FKEBVEXDZIYNQL-QWQRMKEZSA-N 366.462 0.155 0 50 FCAA CCn1c(C[C@]2(O)CCCN(C(C)=O)C2)nnc1N1CC(C)(OC)C1 952886859 CSPHDIDVDVPWDQ-QGZVFWFLSA-N 351.451 0.439 0 50 FCAA Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(Cc3nc(C)c(C)n3C)C[C@]2(CO)C1 1775981155 PWIJAOOXQNSBBT-KBXCAEBGSA-N 373.461 0.030 0 50 FCAA CN1C(=O)CC[C@H](C(=O)N2CCS(=O)(=O)CCO2)[C@H]1c1ccccc1 1875276904 LNRAATALMIQLGS-GOEBONIOSA-N 366.439 0.785 0 50 FCAA Cn1ncc2c1CCN[C@H]2C(=O)NCCNc1nccc(C(F)(F)F)n1 1875392830 WEDOFONCZIDLAG-GFCCVEGCSA-N 369.351 0.644 0 50 FCAA C[C@@](O)(C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1)C(F)(F)F 2325804441 OLJGWGYZTITELR-CQSZACIVSA-N 370.335 0.624 0 50 FCAA C[C@H](CC(=O)O)NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325895925 MUWFKICKRUNWEL-NOZJJQNGSA-N 373.365 0.041 0 50 FCAA CNC(=O)c1[nH]cnc1-c1nnc2n1[C@H](Cc1ccccc1)C(=O)N(C)C2 2356135651 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ZUXXRLNTOVXWOG-QGZVFWFLSA-N 365.499 0.232 0 50 FCAA COc1ccc2[nH]c(=O)c(CN(CCO)[C@@H]3CCS(=O)(=O)C3)cc2c1 216302085 BHZWWNMNEDQOHK-CQSZACIVSA-N 366.439 0.518 0 50 FCAA CCc1nc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)cs1 223435890 OAKNJQRTBNWAGR-AWEZNQCLSA-N 370.500 0.996 0 50 FCAA COc1ccccc1N1CCN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)CC1 239038749 DVRGCYXXWBWGPY-WCXIOVBPSA-N 358.394 0.998 0 50 FCAA COc1cc(OC)cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 244325521 XKWXWPRZHJNFCZ-CQSZACIVSA-N 368.455 0.649 0 50 FCAA CC(=O)N1CCC(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1 244787809 QEBXNNYTDJNMAX-UHFFFAOYSA-N 356.430 0.636 0 50 FCAA CN(C)CCN1CC2(CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC2)OC1=O 257372216 OSGCXELVBURENX-GASCZTMLSA-N 353.463 0.913 0 50 FCAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F 263480740 KUIPRXCYCXWBKN-BRDIYROLSA-N 356.331 0.886 0 50 FCAA COc1cncc(S(=O)(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 282739569 VMZWQMJLTMZQTR-ZDUSSCGKSA-N 355.460 0.964 0 50 FCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)n1 328614828 WZWNYYQMUBCMRM-AWEZNQCLSA-N 355.420 0.692 0 50 FCAA CC(=O)c1cn(CC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)nn1 331816547 GMHAQJBVHRHUHC-UHFFFAOYSA-N 359.386 0.675 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2ncon2)CC1 426500094 LQBSSSHWRRWJKP-UHFFFAOYSA-N 357.418 0.388 0 50 FCAA COCc1n[nH]c(C)c1-c1cccc(C(=O)N2CCNC(=O)[C@@H]2CCO)c1 534655160 XPSQUOODFFXBRE-INIZCTEOSA-N 372.425 0.855 0 50 FCAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCOc4ccc(CO)cc4C2)[C@@H]3C1=O 670440780 ZKDYJJHAUXMMOO-LJCCNALRSA-N 370.405 0.312 0 50 FCAA CC(C)N1C[C@H](NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1=O 821735057 KAPGIWZZLCJEFR-SNVBAGLBSA-N 353.400 0.419 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2cnn3cccnc23)[C@@H]1c1ccnn1C 886079330 GQDOFEQGHZAHSR-GJZGRUSLSA-N 355.402 0.265 0 50 FCAA Cc1ccc(C2CCN(C(=O)c3cn([C@@H]4COC[C@H]4O)nn3)CC2)cn1 888093682 NTTWSOLIBHZGRC-IAGOWNOFSA-N 357.414 0.934 0 50 FCAA CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCSC[C@H]1c1nn[nH]n1 1448020770 PLFGRTZUXVPMIL-UWVGGRQHSA-N 372.451 0.092 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3cccnc23)C[C@@H]1O 1529120555 BEOZTEMUYVORLN-ZFWWWQNUSA-N 363.439 0.559 0 50 FCAA COc1cccc(OC)c1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529172844 JITGFVFYDAWMRB-NWDGAFQWSA-N 372.443 0.028 0 50 FCAA CC(C)c1csc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2NS(C)(=O)=O)n1 1565512807 VDCFXBABDKWYIO-IELRGYKMSA-N 359.473 0.701 0 50 FCAA O=C(NCc1cc(O)ncn1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1615689855 BGKDEDWRONHKDL-KGLIPLIRSA-N 372.381 0.971 0 50 FCAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C)C2(CCOCC2)C1 1775984284 MVFVPLSPUYYRHN-UHFFFAOYSA-N 372.473 0.997 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NS(=O)(=O)c3ccccc3)C[C@H]2CO1 1857688685 WQKCCTJNMAFBIT-ILXRZTDVSA-N 367.471 0.285 0 50 FCAA C[C@@H]1N(C(=O)c2cc3n(n2)CCN(C)C3=O)CCC[C@@]12CCCNC2=O 1875240575 CBLPZVXXVAFYKK-SGTLLEGYSA-N 359.430 0.490 0 50 FCAA O=C(O)c1cc(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)n[nH]1 1875338488 ZGHLSASKDQMYAU-UHFFFAOYSA-N 362.371 0.226 0 50 FCAA C=CC(=O)N1CC2(CO[C@@H](CNC(=O)c3c(C)nc4ccnn4c3C)C2)C1 1875389228 GSJQORQTIOAARK-CQSZACIVSA-N 369.425 0.879 0 50 FCAA Cc1nc(C(=O)NCC(F)(F)CO)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403824 FSPKLUFDODXIJD-GFCCVEGCSA-N 357.405 0.591 0 50 FCAA O=C(NC1CC1)c1nn[nH]c1NS(=O)(=O)c1cnc(C2CC2)s1 1875405952 SJTBGNMVHSYCFC-UHFFFAOYSA-N 354.417 0.832 0 50 FCAA O=C1CCCN1CCCN1C[C@@H](O)CN(C2Cc3ccccc3C2)CC1=O 20363476 QVEZZUGOIWLLCV-LJQANCHMSA-N 371.481 0.671 0 50 FCAA COc1cc(CN2CCOCC2)ccc1OC[C@@H](O)CN1CCOCC1 39510204 MGIVOCOTCMEFQT-KRWDZBQOSA-N 366.458 0.599 0 50 FCAA C[C@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nnc2n1CCNCC2 67725981 HZTNYNSFPPZWFL-LBPRGKRZSA-N 352.402 0.496 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1sc2nc(C)[nH]c(=O)c2c1C 67868203 PTBCWMATOGMRLG-UWVGGRQHSA-N 363.443 0.279 0 50 FCAA CS(=O)(=O)NC1CCN(C(=O)c2ccccc2[C@@H]2CCNC2)CC1 72145924 JAOBVRYYRCQYSM-CYBMUJFWSA-N 351.472 0.917 0 50 FCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(O)CC2)c1 72154008 SRWYEPYCOTWVNC-KRWDZBQOSA-N 361.442 0.369 0 50 FCAA 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FCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1565531223 QZLNROZTSIADFG-ORQFMDKSSA-N 352.456 0.466 0 50 FCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3cc(Cl)ccc3OCCN)C[C@@H]21 1857695633 RQRSRKIMNJASSJ-ZFWWWQNUSA-N 367.833 0.749 0 50 FCAA O=C(CCn1cnnn1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857733386 IVEZUQARIMJJTJ-SFHVURJKSA-N 369.429 0.943 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)c2cc3ncccn3n2)[C@H]1c1cnn(C)c1 1857738587 OQONVBTXTAJLDT-RDJZCZTQSA-N 369.429 0.607 0 50 FCAA CS[C@H]1CN(C(=O)C2CCN(c3cc(O)ncn3)CC2)C[C@H]1N(C)C 1875306554 KDGHWFSWAWYKKS-KGLIPLIRSA-N 365.503 0.903 0 50 FCAA Cc1nc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC[C@H]2CCC(=O)N2)C3)n[nH]1 1875361760 ALGSVBFPBUYRTF-CRWXNKLISA-N 374.445 0.281 0 50 FCAA CCn1ccc(C(=O)N(C)[C@@H](CNC(=O)c2cnn(C)c2OC)C2CC2)n1 2325879078 GYZAZOIZIXOCDB-HNNXBMFYSA-N 374.445 0.926 0 50 FCAA CCOC(=O)Cn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 10233765 RPBRNRKUEYOXFX-UHFFFAOYSA-N 361.402 0.547 0 50 FCAA COc1ccc(CN(CCO)CCO)cc1OC[C@H](O)CN(C)C(C)C 11947822 DEBHACLMRZLLHE-QGZVFWFLSA-N 370.490 0.562 0 50 FCAA COCCN1C[C@@H](C(=O)NCc2ccc(-n3cncn3)cc2)CCC1=O 12836119 RMLVZFWOGFOODU-HNNXBMFYSA-N 357.414 0.769 0 50 FCAA COCCN1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 23128754 QRLQWEWAMUGMCZ-KRWDZBQOSA-N 374.485 0.653 0 50 FCAA CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1=O 46197733 DGYQRRFOEQZWFB-OAHLLOKOSA-N 359.426 0.848 0 50 FCAA CC[C@H]1CN(C(=O)CN2CCNCC2)CCC(=O)N1Cc1ccccc1 71764078 DCWGRGCMMXKSJF-SFHVURJKSA-N 358.486 0.931 0 50 FCAA CN1C(=O)[C@]2(CCCN(C(=O)C(=O)N3CCOCC3)C2)c2ccccc21 72166278 ADAJAQJZCCKKFR-IBGZPJMESA-N 357.410 0.382 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(c2nccc(N)n2)C1 72433345 GQPOAPQFSLNWCV-CYBMUJFWSA-N 358.450 0.404 0 50 FCAA NCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CC[C@H]21 72438450 MDFJTGFJQYFMPO-LSDHHAIUSA-N 359.426 0.870 0 50 FCAA Nc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCn1cccn1)CC2 72476333 ICUSFDSOQPTKRI-UHFFFAOYSA-N 355.446 0.873 0 50 FCAA CN(C)c1nccnc1N1CCC(c2nnc(Cn3cncn3)n2C)CC1 91562743 FVIMBPYUHAILFT-UHFFFAOYSA-N 368.449 0.695 0 50 FCAA CN(C)CCN1C[C@H](C(=O)NC2CCN(Cc3ccco3)CC2)CC1=O 95362611 SKHSPXJDFAJIJH-OAHLLOKOSA-N 362.474 0.770 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cc(C)cn2)CN1Cc1ccoc1 95376161 XNKKECCKRMJUDO-CVEARBPZSA-N 359.430 0.680 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CC)CN1Cc1noc(-c2ccco2)n1 96154086 FNBJHVWJAGOLTN-RYUDHWBXSA-N 361.402 0.935 0 50 FCAA COc1ccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)c(OC)c1 170618053 OGHIYSDXGLAYBQ-QGZVFWFLSA-N 362.386 0.316 0 50 FCAA CCC(=O)N1CCN(Cc2c(C)nn(CC)c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 219314910 HDNSUEBOPXZAJW-CVEARBPZSA-N 368.503 0.740 0 50 FCAA Cc1cc(S(=O)(=O)NCC(=O)N[C@@H](C)Cc2cnccn2)ccc1F 222945712 LRWPEERFNXEEMS-LBPRGKRZSA-N 366.418 0.950 0 50 FCAA O=C1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1cccnc1 242967830 HMSAILUCYLYBRL-INIZCTEOSA-N 366.425 0.569 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3cnc(SC)nc3)C[C@H]2C1 247813337 DSMSNANQEMWQIE-YOEHRIQHSA-N 366.487 0.630 0 50 FCAA Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)c3nnnn3C)CC2)cc1 252509679 YTIHGXRIPNEKFK-CYBMUJFWSA-N 357.418 0.747 0 50 FCAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F 263480743 KUIPRXCYCXWBKN-MATHAZKKSA-N 356.331 0.886 0 50 FCAA CNS(=O)(=O)c1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)co1 331140327 GQABGJQNDKFVMR-LLVKDONJSA-N 357.432 0.517 0 50 FCAA O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1)c1cnccn1 408520908 AUXZQUOEQVWXGQ-CYBMUJFWSA-N 362.411 0.874 0 50 FCAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCCc2nc3ccccc3[nH]2)[nH]1 426368147 ARRPVZRIDUMMIS-CYBMUJFWSA-N 368.441 0.759 0 50 FCAA Cc1cc(C)n2nc(C)c(C(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)c2n1 426544602 AOZALBPHAVOIDP-HOTGVXAUSA-N 373.457 0.562 0 50 FCAA Cn1c(CCNC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)nc2ccccc21 426728335 WCDCYYLLSBXWCL-IRXDYDNUSA-N 373.457 0.203 0 50 FCAA O=C(CCCn1cncn1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 670463491 ATOGHJGAYIDFFJ-UHFFFAOYSA-N 369.491 0.216 0 50 FCAA CN(C)S(=O)(=O)N1CCOC2(CCN(Cc3nccs3)CC2)C1 823724790 NQWDDTFSWVFZQS-UHFFFAOYSA-N 360.505 0.616 0 50 FCAA Nc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)[C@@H]2CCCO2)CCO3)cn1 827969384 FJYCQAHCJJVZGL-HNNXBMFYSA-N 374.441 0.676 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2cn(CC3CC3)nn2)[C@@H]1c1ccnn1C 886079065 DCNXHQVWXIUUHF-HOTGVXAUSA-N 359.434 0.223 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(c3ncccn3)CC2)C1 1506397712 WDCYBIRQHVBQLL-HNNXBMFYSA-N 369.491 0.592 0 50 FCAA Cc1nc(CN2CCN(Cc3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)co1 1565513213 KHJRVUHHDMLOQI-DLBZAZTESA-N 362.455 0.861 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CSc1ccncc1 1704297530 ATVYXKCIHITWMO-WCQYABFASA-N 359.473 0.196 0 50 FCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc4c3ccn4C)C[C@@H]12 1857723859 ZOJOKVFUPMXKEB-UAGQMJEPSA-N 361.467 0.978 0 50 FCAA CN1C(=O)OC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc21 1875407238 VVTRRFUHTNZVOO-DARAHFNDSA-N 355.394 0.589 0 50 FCAA O=C(N[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)CC[C@H]1O)c1ncc[nH]1 2100482422 YJSDQGFJEBAPRT-NUEKZKHPSA-N 372.425 0.864 0 50 FCAA Cn1c(=O)n(CCC(=O)N2CCNC[C@H]2c2cn[nH]c2)c2ccccc21 2325779051 CRMITCGBQOYNKD-INIZCTEOSA-N 354.414 0.626 0 50 FCAA CO[C@@H]1CC[C@H](C(=O)NCc2cccnc2)C[C@H]1NC(=O)Cc1cc[nH]n1 2356165584 KIIAKOGHYUBHJG-USXIJHARSA-N 371.441 0.964 0 50 FCAA CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1C=O 727931 UBCGCAFFUFJSHB-CYBMUJFWSA-N 372.381 0.073 0 50 FCAA OCCN(CCO)C[C@@H](O)COc1c(F)cc(Br)cc1F 2941077 RLLGXMRWZGIBML-SNVBAGLBSA-N 370.190 0.754 0 50 FCAA COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1 4110565 HLSYRBYRACAEMU-UHFFFAOYSA-N 354.370 0.608 0 50 FCAA COCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 16650867 YWZWRUGDQMVLLN-UHFFFAOYSA-N 374.484 0.806 0 50 FCAA Cc1cccnc1N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1 65398806 NCHZRNGEZCNKSG-MRXNPFEDSA-N 369.473 0.944 0 50 FCAA CCc1nc(CN2C(=O)N[C@](c3cccnc3)(C3CCNCC3)C2=O)no1 71278918 YTQGCBVWAJPABQ-SFHVURJKSA-N 370.413 0.974 0 50 FCAA O=C([C@H]1CC2(CCNCC2)CN1)N1CCc2c(nc(CC3CC3)[nH]c2=O)C1 72144033 DZLCGNZDJDUYPK-OAHLLOKOSA-N 371.485 0.339 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 72144328 RHFLQGAHTNNTCH-CYBMUJFWSA-N 372.381 0.438 0 50 FCAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1c[nH]nc1-c1cccc(F)c1 72166405 LJFLIWVOEZFCDB-OAHLLOKOSA-N 357.389 0.908 0 50 FCAA CC[C@@]1(O)CCN(CC(=O)NCc2cc(C(=O)O)ccc2C)C[C@H]1O 72477423 YHWYICLQQPARRZ-CRAIPNDOSA-N 350.415 0.517 0 50 FCAA CC(=O)N1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@H]2CS(=O)(=O)C[C@H]21 77485287 RWLXHSIWLIAUEF-CVEARBPZSA-N 361.423 0.638 0 50 FCAA CCOCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77556488 ISJSVPJKEHDWMF-UHFFFAOYSA-N 351.451 0.390 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccccn1)CC2 91997592 NBMMYHUATMHFOV-UHFFFAOYSA-N 369.425 0.967 0 50 FCAA CCCn1cc(CN2CCN(CCOC)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)n1 92065650 YPPKQQYJXWEAOA-SJORKVTESA-N 370.519 0.531 0 50 FCAA COc1cc(NC(=O)N2CCOC[C@@H](CO)C2)cc(-n2nnnc2C)c1 95505291 ZITZUJHINKXUGF-GFCCVEGCSA-N 362.390 0.452 0 50 FCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(CC(=O)NCCc1ccccc1)C2 216496737 FSIVHXOKDYEUFJ-MSOLQXFVSA-N 359.470 0.915 0 50 FCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 220167864 RGTGUTPFVGKMSK-WBVHZDCISA-N 369.425 0.977 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCN1CCCCO1)C2 222611812 LTKPJYGKAIJADQ-MRXNPFEDSA-N 351.451 0.238 0 50 FCAA COCc1nc(O)cc([C@H]2C[C@@H](NC(=O)CSc3nncn3C)C2)n1 253535443 YPEDEXYYKKMYQU-AOOOYVTPSA-N 364.431 0.612 0 50 FCAA CN(C)S(=O)(=O)NCCNC(=O)NC[C@H]1CCCc2ccccc21 294250101 PMDFMUSSUPYMJU-CQSZACIVSA-N 354.476 0.802 0 50 FCAA Cc1nc(CCCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)sc1C 299755200 BDDAJQDAXWECMD-ZDUSSCGKSA-N 359.517 0.928 0 50 FCAA Nc1cc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)nc(N)n1 299755210 BHHUSEGGPHHJAL-UHFFFAOYSA-N 356.434 0.664 0 50 FCAA Cc1nn(C)c(C)c1-c1cc(C(=O)NCCS(=O)(=O)N(C)C)n(C)n1 299776634 BERXYINHLGNZCC-UHFFFAOYSA-N 368.463 0.059 0 50 FCAA COCC(=O)N1CC[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)[C@H](O)C1 299793750 HFJQNJBIDHRQHJ-ZIAGYGMSSA-N 374.359 0.972 0 50 FCAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 329841972 OUDOMSFRLSTEAY-CABCVRRESA-N 364.450 0.329 0 50 FCAA CN(C)C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C(C)(C)C1 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0 50 FCAA Cc1nnc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)n1C 886088365 PXMDSJHRMQSMHV-JSGCOSHPSA-N 357.418 0.938 0 50 FCAA CCc1cc(N[C@@H]2CCCCN(Cc3nn(C)c(=O)n3C)C2=O)ncn1 952851290 XBSKGJJKDZPANG-CYBMUJFWSA-N 359.434 0.464 0 50 FCAA CC1CCN(S(=O)(=O)N2CCC(CNC(=O)[C@@H]3CCOC3)CC2)CC1 952868877 BPJUPEXDUSOHIK-MRXNPFEDSA-N 373.519 0.828 0 50 FCAA CCN1CCN(CC(=O)NC2CCN(C(=O)N3CCCC3)CC2)CC1 952985259 AMRRJKZNTULQKY-UHFFFAOYSA-N 351.495 0.420 0 50 FCAA O=C(O)CCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1501018214 DXQHHPDVZILLOC-LLVKDONJSA-N 359.338 0.365 0 50 FCAA Cc1cc(C(=O)N2CCCN(C(=O)c3ccc4nn[nH]c4c3)CC2)n(C)n1 1529113685 HVJUYRJFZKVZEA-UHFFFAOYSA-N 367.413 0.988 0 50 FCAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3cncn3C(C)C)C[C@H]2C1 1565512639 IAIIZQZDQDSEDA-YJBOKZPZSA-N 350.463 0.896 0 50 FCAA CNC(=O)c1noc(CN2CCCN(C(=O)c3cncc(C)c3)CC2)n1 1704280026 JGJZOFMJHYXNDJ-UHFFFAOYSA-N 358.402 0.481 0 50 FCAA CCOCc1nnc(N2C[C@H](C(=O)NCc3nnc(C)o3)CC2=O)s1 1857667801 UZGDZIMUEBXADO-SECBINFHSA-N 366.403 0.435 0 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O=C(NCCS(=O)(=O)N1CCCC1)c1cc2c([nH]c1=O)CCCC2 96132917 RYSNYNDVJIMZNO-UHFFFAOYSA-N 353.444 0.409 0 50 FCAA O=C1NCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@H]12 106250957 SXJJXMXDQZXRIO-LLVKDONJSA-N 364.254 0.798 0 50 FCAA CN1CC[C@@H]2CN(C(=O)COCC(F)(F)C(F)F)C[C@]2(C(=O)O)C1 216398894 SUXAMUCYEPQUQK-NOZJJQNGSA-N 356.316 0.768 0 50 FCAA CN(C)[C@@H]1[C@@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)[C@H]2CCO[C@H]21 222482801 HCMSVWWDDPRPOQ-QKPAOTATSA-N 364.467 0.827 0 50 FCAA CC[C@@H](C)[C@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 230214029 CFNFWDYLZBUKAS-OCCSQVGLSA-N 357.414 0.958 0 50 FCAA COc1ccc(N2C[C@H](C(=O)N[C@@]3(CC(=O)O)CCOC3)CC2=O)cc1 263033969 RCMKSEWMOAIJOL-KZULUSFZSA-N 362.382 0.798 0 50 FCAA COc1cccc(/C=C(/C(=O)N2CC[C@H](C(=O)O)C2)n2nnnc2C)c1 328590418 GCZUDMVOXYVWEC-GRRFOWRYSA-N 357.370 0.921 0 50 FCAA O=S(=O)([C@H]1CCOC1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 330139941 PFSXGADKSVFXQV-QMMMGPOBSA-N 372.394 0.798 0 50 FCAA Cn1nnnc1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 330763590 QNTDPPBRDXKVAH-UHFFFAOYSA-N 374.829 0.509 0 50 FCAA CCCCN1CCOC[C@H]1C(=O)NC1CCN(CC(=O)N(C)C)CC1 376766462 RFHOEOLVZJJNOT-INIZCTEOSA-N 354.495 0.156 0 50 FCAA COc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)cc1OCCN 426517548 HPGMTALXYJWXDM-GOSISDBHSA-N 363.414 0.106 0 50 FCAA COc1cc(C(=O)O)cc(C(=O)N2CCC(=O)N(CCN(C)C)CC2)c1 426620289 SOXBYZZSSQWQJW-UHFFFAOYSA-N 363.414 0.630 0 50 FCAA O=C(NCCCN1CCc2ccccc21)c1cc2n(n1)C[C@@H](O)CNC2=O 426697255 BSOXBSGPYAMBEQ-AWEZNQCLSA-N 369.425 0.170 0 50 FCAA Cc1csc([C@@](O)(CC(=O)O[C@H]2CCC(=O)NC2=O)C(F)(F)F)n1 798605257 HUSZDRFXJQEXPD-MADCSZMMSA-N 366.317 0.940 0 50 FCAA Cn1cc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCCN3)CC2=O)cn1 864767400 QLQMTWURZRXXTH-AWEZNQCLSA-N 357.418 0.447 0 50 FCAA Cn1ccc(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)n1 888095128 JMUCQSGAOYBHIW-DLBZAZTESA-N 355.442 0.597 0 50 FCAA CO[C@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 1565508597 XZZPYELKDQLFFV-ZFWWWQNUSA-N 370.427 0.514 0 50 FCAA NC(=O)c1cnc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cn1 1772710914 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362.474 0.656 0 50 FCAA Cc1ccc2ncc(C(=O)N[C@H]3CCO[C@@H]3c3ccnn3C)c(=O)n2c1 285572174 VMIVJZRKTOQODM-BBRMVZONSA-N 353.382 0.996 0 50 FCAA Cc1cc(N)n(CC(=O)N(C)CCNc2cc([C@@H]3CCOC3)ncn2)n1 299790373 BDBZILIERDPCMY-CYBMUJFWSA-N 359.434 0.638 0 50 FCAA CS(=O)(=O)Nc1ccc(F)c(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)c1 299792525 FIGYWPOIFIBHJF-KOLCDFICSA-N 370.406 0.940 0 50 FCAA COCCn1cnnc1CCNC(=O)N1CCN(c2ccccn2)CC1 534655211 CSYSEZYKYFCWHQ-UHFFFAOYSA-N 359.434 0.394 0 50 FCAA CN1CC[C@@H](CNC(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)C1 534663288 LYEQJRWFHRMUOI-AWEZNQCLSA-N 374.489 0.776 0 50 FCAA COCCn1cnnc1[C@@H](C)NS(=O)(=O)c1cc(C(N)=O)cs1 670471750 MGRGJNZSEYRFRQ-MRVPVSSYSA-N 359.433 0.124 0 50 FCAA CN1C[C@@H](NC(=O)Cn2c(O)nc3ccccc32)[C@H](c2cncn2C)C1 952886487 QEHSBLMRSNRUCJ-TZMCWYRMSA-N 354.414 0.689 0 50 FCAA O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1C(=O)NCC12CCOCC2 1310439051 PHGJCLCKLYLRCM-CQSZACIVSA-N 358.398 0.389 0 50 FCAA COc1cccc(CCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704324814 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FCAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCCc2ccc(O)cc2)[C@@H]3C1=O 215056914 FDHFBCZVJVOTCC-GGXPGOJBSA-N 359.426 0.016 0 50 FCAA C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](O)c2ccccc2C1 222201148 WPKZGXWHJWADQM-SMDDNHRTSA-N 372.425 0.177 0 50 FCAA CS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)CC1 261732207 RUFWRLUWGHWZCL-HNNXBMFYSA-N 366.439 0.869 0 50 FCAA O=C(c1n[nH]c2c1CCC2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266463697 ZBQCXIHTMFICTE-UHFFFAOYSA-N 365.415 0.174 0 50 FCAA COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 284556061 FJQOPNZYNBJKIB-VXGBXAGGSA-N 374.484 0.937 0 50 FCAA COC(=O)[C@@H]1CC[C@@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 285264840 SQIUZWTXVSRTKE-UONOGXRCSA-N 354.428 0.421 0 50 FCAA COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1OC 299770610 WWFHRBUPPXSUOZ-ZIAGYGMSSA-N 373.475 0.035 0 50 FCAA Cc1cnc2c(C(=O)NCC[C@H]3CCCCN3S(C)(=O)=O)cnn2c1 299783455 UTJMQVHPBZZWNR-CYBMUJFWSA-N 365.459 0.972 0 50 FCAA CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)c1 332860708 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Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)c1ccc3c(c1)OCCO3)C2 952849664 ZZJJTZFLOCFRAE-AWEZNQCLSA-N 357.414 0.944 0 50 FCAA CCCn1cc(S(=O)(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cn1 952984721 MIARAILTHDGGAM-MRXNPFEDSA-N 369.535 0.941 0 50 FCAA Cc1c(-c2cc(C(=O)N[C@H]3CCOC[C@@H]3OCC(=O)O)no2)cnn1C 1565506733 ZEZQPOUFPLMOPH-FZMZJTMJSA-N 364.358 0.372 0 50 FCAA CCc1nc(C)c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)s1 1704334450 JABCIJPUDZYCLS-QWRGUYRKSA-N 361.489 0.650 0 50 FCAA CCOc1ccccc1N1CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)CC1 1857670552 UOPWSZACSBFAKY-UHFFFAOYSA-N 368.401 0.747 0 50 FCAA Cc1cccc2c(=O)c(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)c[nH]c12 1857723751 URDAJBMNGZXESE-KKUMJFAQSA-N 371.437 0.790 0 50 FCAA CC1(C)OCc2c1n[nH]c2C(=O)NCC1CCN(S(C)(=O)=O)CC1 1875317479 YKEGQIHRDSXFKK-UHFFFAOYSA-N 356.448 0.576 0 50 FCAA C[C@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CC[C@H]1N 1875350131 BRRNEXKNBBKHIV-WDEREUQCSA-N 368.397 0.898 0 50 FCAA CN1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)c3cnccn3)C2(C)C)C1=O 1875406500 FZXCHFVFBHQLAH-GXTWGEPZSA-N 359.430 0.454 0 50 FCAA O=C(N[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@@H]1O)c1cccc(O)n1 2100547671 MUAQOMUNMQGZID-YDHLFZDLSA-N 373.413 0.060 0 50 FCAA O=C(c1cc(N2CCOCC2)ncn1)N1CCN(c2ccc(O)nc2)CC1 2325803056 NHMSENIHPPIOMA-UHFFFAOYSA-N 370.413 0.376 0 50 FCAA C[C@]1(O)CC2(CCN(C(=O)CCc3csc(=N)[nH]3)CC2)OC[C@@H]1O 2356159129 NCYPEBXHVJHWEY-WFASDCNBSA-N 355.460 0.382 0 50 FCAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCOCC2)cc1 814458 DDTXKACUKWJNAT-CQSZACIVSA-N 352.412 0.534 0 50 FCAA Cc1cc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 985309 XYYABCDLXJSZJY-UHFFFAOYSA-N 355.398 0.998 0 50 FCAA biogenic CN(C)c1nc2nonc2nc1N1CCC[C@H](C(=O)N2CCOCC2)C1 12092228 KJMSFCYEARHSKB-NSHDSACASA-N 361.406 0.154 0 50 FCAA Cn1ncc(N2CC[C@H](CNC(=O)Cc3n[nH]c4ccccc34)C2)cc1=O 23337246 UPVVWDUOUUOXBA-CYBMUJFWSA-N 366.425 0.842 0 50 FCAA CCC(=O)Nc1cccc(OCC(=O)NCCn2[nH]c(=O)ccc2=O)c1 65410871 LBQVVKHASHPOGO-UHFFFAOYSA-N 360.370 0.080 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(C(C)=O)cc1 67605547 WJQZMDLJSNNWEF-ZBFHGGJFSA-N 367.471 0.848 0 50 FCAA Cc1nnnn1-c1cccc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c1 67726013 SGXXVQSLKKVUHP-ZFWWWQNUSA-N 357.418 0.037 0 50 FCAA Cc1cc(C)nc(CN(C)C(=O)c2cn(CCN3CCNCC3)nn2)c1 77459168 ILEDHXZCWGWBFH-UHFFFAOYSA-N 357.462 0.467 0 50 FCAA Cc1cc(N2CCN(C(=O)CN3C[C@@H]4CC[C@H](CC3=O)N4)CC2)cc(C)n1 95499053 LQKDFOBUSTUKPG-SJORKVTESA-N 371.485 0.700 0 50 FCAA Cc1ccc(CN2CCC(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)o1 95523309 HHNZDKYBGROIHN-UHFFFAOYSA-N 374.441 0.627 0 50 FCAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)C1CCN(C2CCOCC2)CC1 96153242 FFVQYJPAJKQMLJ-MRXNPFEDSA-N 362.430 0.639 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ncoc2C)CN1C(=O)COC 96153245 GCLPTYKAHKIGNU-OLZOCXBDSA-N 366.418 0.197 0 50 FCAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)NCCc2ncnn2C)c1 96162595 SBSHVPNQHGRDFX-UHFFFAOYSA-N 367.435 0.398 0 50 FCAA O=C(Nc1ccccc1CN1CCOCC1)N[C@@H]1C=CS(=O)(=O)C1 96179603 HEJDSOZGMXMFQP-CQSZACIVSA-N 351.428 0.951 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(CC2CC2)CC1 109117322 BXWFENLMEOSBDD-UHFFFAOYSA-N 353.444 0.510 0 50 FCAA O=C(c1nnc2n1CCCC2)N1CCN(c2ccc3nccn3n2)CC1 215612722 QOSRHICWVFCEDE-UHFFFAOYSA-N 352.402 0.620 0 50 FCAA O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@@H]1COCC[C@@H]1Oc1ccc(F)cc1 219099342 HHLNOZJVMFZTSH-KGLIPLIRSA-N 363.345 0.098 0 50 FCAA Nc1nc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(=O)[nH]1 219143737 BQNHZXXFYOKBMY-UHFFFAOYSA-N 351.370 0.258 0 50 FCAA Cc1nccn1CCC(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 244866609 VZBVOPNRLBFCDK-IAGOWNOFSA-N 356.426 0.973 0 50 FCAA O=C(c1cn2ccsc2n1)N1CCN(S(=O)(=O)N2CCCC2)CC1 252488402 IRFGIFORHNMTOG-UHFFFAOYSA-N 369.472 0.494 0 50 FCAA CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@H]2[C@H](C)O)C(=O)Nc2ccccc21 253381377 DOMSBGXMTOVLON-GPNFVODBSA-N 357.410 0.588 0 50 FCAA CCN1CCCN(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CC1=O 253396365 AZWSENPBGXNANF-HNNXBMFYSA-N 352.479 0.751 0 50 FCAA COc1ccc([C@H](NC(=O)Cc2cnc(O)nc2O)[C@H]2C[C@@H](O)C2)cn1 253535209 HDASUNUSFVONSG-NVBFEUDRSA-N 360.370 0.462 0 50 FCAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@H](C(=O)O)C1 263072783 ZUXXBJKGCDJKGS-KGLIPLIRSA-N 363.349 0.216 0 50 FCAA CCN(C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 299744083 QSXBBVAKMVEXDB-XGUBFFRZSA-N 372.487 0.740 0 50 FCAA Cc1nnnn1-c1ccc(CC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1 299775910 LHXJNGRNWXFFAG-ROUUACIJSA-N 370.457 0.571 0 50 FCAA Cc1ccc(CCC(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)o1 328636241 NYUQYKPMYWSAQM-HNNXBMFYSA-N 360.414 0.954 0 50 FCAA Cc1cc(C)cc(-c2nnc(NC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)s2)c1 333570734 XZKJWWDSEZRHJJ-TXEJJXNPSA-N 371.422 1.558 0 50 FCAA NC(=O)[C@@H]1CCCN(CCNC(=O)c2cccc(-c3ccnc(N)n3)c2)C1 426425182 HCVOOXNGXWMHGR-OAHLLOKOSA-N 368.441 0.653 0 50 FCAA CS(=O)(=O)CCNC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 426656921 IQBYGJOSHZCFQH-QGZVFWFLSA-N 365.499 0.916 0 50 FCAA Cc1n[nH]c(C)c1CCCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426707519 WIKKIAWFASNLBH-AWEZNQCLSA-N 372.473 1.546 0 50 FCAA Cc1nc(CN2CCCN(S(=O)(=O)N3CCOCC3)CC2)n(C)c1C 670441996 AQYIEBJPOHULIW-UHFFFAOYSA-N 371.507 0.122 0 50 FCAA CCOC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](c3ccnn3C)C2)C1 894267809 YBOLGTGVJQJYJX-JSGCOSHPSA-N 351.407 0.734 0 50 FCAA C[C@@H]1Oc2c(cccc2C(=O)N(C)Cc2cnn3c2CNCC3)NC1=O 952890188 OUYHJORETKLBDN-NSHDSACASA-N 355.398 0.978 0 50 FCAA O=C(Nc1ccccc1-n1cccn1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1073414387 FIISHVBEXSFXDW-HIFRSBDPSA-N 361.427 0.475 0 50 FCAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)CN1C(=O)NC(C)(C)C1=O 1506419981 PBVPORBSSYJZTA-GFCCVEGCSA-N 364.446 0.566 0 50 FCAA CCN(Cc1noc(C2CC2)n1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529179390 XLJLYFLWUUHVIX-CVEARBPZSA-N 371.397 0.947 0 50 FCAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)N1CCN(C)CC1 1565526235 RQJLKRMLAJEERN-HOTGVXAUSA-N 352.435 0.923 0 50 FCAA Cc1cc(C[C@@H]2CN(c3cc(N4CCOCC4)nc(N)n3)C[C@@H]2O)on1 1704336582 YICNXHULFOERPQ-OCCSQVGLSA-N 360.418 0.232 0 50 FCAA COCCn1nnc([C@@H]2CN(C(=O)C3Cc4ccccc4C3)CCO2)n1 1857713545 PAYIDYZZOLOINL-INIZCTEOSA-N 357.414 0.634 0 50 FCAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3ncc(F)cc3F)CC(=O)N21 1857719346 IZNUPSFMVRDUGC-GVXVVHGQSA-N 367.352 0.984 0 50 FCAA O=C(N1CCCN(C(=O)C2(c3cc[nH]n3)CC2)CC1)C1(c2cc[nH]n2)CC1 1875323746 RWJVTVNOJIZWRS-UHFFFAOYSA-N 368.441 0.957 0 50 FCAA CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325789055 CRQVWBFDSIWTMJ-AAEUAGOBSA-N 353.781 0.927 0 50 FCAA O=C1N[C@@H](CN2CCc3ccccc32)C(=O)N2C[C@H](OC(F)F)C[C@@H]12 2325809013 RMCAMMRKXAOAIP-DYEKYZERSA-N 351.353 0.756 0 50 FCAA O=C(NCc1nc(O)n[nH]1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356134554 RYPOSOCVNPHOHT-QAMHXRKUSA-N 368.397 0.458 0 50 FCAA COc1ccc(CCN2C[C@H](NS(=O)(=O)N3CCCC3)CC2=O)cc1 12074105 OQPUUUXGZRHLJB-OAHLLOKOSA-N 367.471 0.769 0 50 FCAA C[C@@H](Cc1cccs1)NC(=O)Cn1nnnc1CN1CCOCC1 20777173 VKDALLYUGGFTLZ-LBPRGKRZSA-N 350.448 0.314 0 50 FCAA CC(C)[C@@H]1CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1CC1CC1 71551898 SKSKRCUABVYGNZ-AWEZNQCLSA-N 362.430 0.101 0 50 FCAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCOc2ccc(F)cc2)CC1 72117886 CSJBJWLPZQSHDY-UHFFFAOYSA-N 373.450 0.839 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2 72133301 VBABNFCDSQKAGK-CQSZACIVSA-N 367.409 0.595 0 50 FCAA CCCNC(=O)N1CCn2nc(CCC(=O)NCCN(C)C)cc2C1 91288566 QRPBGZZREGBCRV-UHFFFAOYSA-N 350.467 0.429 0 50 FCAA Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)ccc1=O 91819318 VENQXMWQTWBDKH-JKSUJKDBSA-N 353.426 0.912 0 50 FCAA CNCCN(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](COC)C2)c1 95353984 VCZCQBYZKIHHPS-CQSZACIVSA-N 369.487 0.635 0 50 FCAA CN1C(=O)CN(CC(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)C(=O)c2ccccc21 95520644 NZKNZSAQMGWJJW-ULAZLLGUSA-N 369.421 0.741 0 50 FCAA O=C1CC[C@H](NC(=O)c2csc(I)c2)C(=O)N1 124121413 BDYYIQYIAJKUKB-LURJTMIESA-N 364.164 0.888 0 50 FCAA Cn1cnnc1CCC(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 219465478 AOYZWEJHFIYXRI-OLZOCXBDSA-N 351.432 0.695 0 50 FCAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)c1csnc1N)C2 222542957 MQJOPPYKXWMMAC-CQSZACIVSA-N 373.442 0.783 0 50 FCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N[C@@H]1COCC[C@H]1OC 223101116 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299780963 CCOJQCCOWLJRHK-NSHDSACASA-N 353.386 0.494 0 50 FCAA Cn1ccnc(NC[C@@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)c1=O 328626846 FMTJFOHKCRGJPR-MRXNPFEDSA-N 356.426 1.028 0 50 FCAA O=C(NCCN1CCCc2ccccc21)c1cc2n(n1)C[C@@H](O)CNC2=O 426405754 QOXQGODOJGIXQM-AWEZNQCLSA-N 369.425 0.170 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1 426486055 VZKBPROWEPSZFB-ZIAGYGMSSA-N 364.475 0.290 0 50 FCAA Cc1cnn(CCC(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)c1 426545033 KCLJIBWKUCWAMV-IAGOWNOFSA-N 356.426 0.973 0 50 FCAA Cn1ccnc1CN(C(=O)CN1CSCC1=O)[C@H]1CC12CCNCC2 435573818 KYULFWWORPYMPO-ZDUSSCGKSA-N 363.487 0.424 0 50 FCAA COCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ncccc3O)[C@H]2C1 534576011 QNUNBVOCERJZEZ-UVBSCNOISA-N 363.414 0.702 0 50 FCAA O=C(NCCN1CCCC[C@H]1CO)C1(N2CCOCC2)CCCCC1 670443387 DSDAIPSJHKNYJR-KRWDZBQOSA-N 353.507 0.985 0 50 FCAA Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 828282397 AURDMXPMBMDWFN-KOLCDFICSA-N 357.819 0.026 0 50 FCAA O=C(NCc1csc(-c2cnccn2)n1)N[C@H]1CCS(=O)(=O)C1 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COc1ccnc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 223017360 IYCPZXAIWQRBNO-MRXNPFEDSA-N 355.402 0.907 0 50 FCAA COc1ccc(CNC(=O)CCN2CCN(S(C)(=O)=O)CC2)cc1 252497535 QKBFCCKQMMHMPR-UHFFFAOYSA-N 355.460 0.279 0 50 FCAA Cc1cn(CC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(O)nc1=O 253534823 HSELAYOQJUOFRP-JYJNAYRXSA-N 357.410 0.756 0 50 FCAA COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H]2CN)cc1OC 262631058 MUSQKFRKKIZHDV-LBPRGKRZSA-N 356.444 0.817 0 50 FCAA C[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 263285597 XZMWMMXJZANIES-RKDXNWHRSA-N 367.383 0.772 0 50 FCAA Cc1c(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cnn1-c1ccc(=O)[nH]n1 268002722 ZYRIAGBZCVXNKC-AWEZNQCLSA-N 372.429 0.818 0 50 FCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCN[C@H](C)C2)ccc1OC 269241636 YIRRBMYLMDZRRG-HOSRBBHYSA-N 353.444 0.437 0 50 FCAA COc1nc(N2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)ncc1F 299761006 SVNRHTJALWJGPQ-ZYHUDNBSSA-N 351.338 0.290 0 50 FCAA O=C1C[C@@H](C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)C2(CCCC2)O1 299773220 ATJSLVBFRKZOPQ-LBPRGKRZSA-N 370.413 0.877 0 50 FCAA O=C(NCCNC(=O)C1CCN(C2CCOCC2)CC1)c1cccnc1 299801604 ZVAWZMHZACTPFK-UHFFFAOYSA-N 360.458 0.819 0 50 FCAA COc1coc(C(=O)N=c2cc(C)[nH]n2[C@@H]2CCS(=O)(=O)C2)cc1=O 334159146 GLKSVFVGQRJMPQ-SNVBAGLBSA-N 367.383 0.187 0 50 FCAA CCCN(Cc1nnnn1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 370493096 UVGQUNUOQXBSSG-CQSZACIVSA-N 357.480 0.499 0 50 FCAA Cc1nnc2n1C[C@H](NC(=O)N[C@H](C)C(=O)NCc1ccccc1)CC2 378562626 RFLPIUUHODFVNX-IUODEOHRSA-N 356.430 0.905 0 50 FCAA CCn1ncc(S(=O)(=O)N2CCn3nc(CNC(C)=O)cc3C2)c1C 426538357 IVOLBUGLCZJLBU-UHFFFAOYSA-N 366.447 0.249 0 50 FCAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)NCc2ccc3c(c2)OCO3)n1 952886004 GGTZMQSZYBENSQ-AWEZNQCLSA-N 358.398 0.645 0 50 FCAA C[C@H](C1CCN(C(=O)/C=C/c2cnc(N)nc2)CC1)N1CCN(C)CC1 952989834 DGRNBXFAIUWGPF-NHZBNJEXSA-N 358.490 0.947 0 50 FCAA COC[C@H]1[C@H](NC(=O)CN2C(=O)COc3ccc(C)cc32)[C@H]2CCO[C@H]21 1074567823 KJSPYFYBQQZTNN-JSVGYJQLSA-N 360.410 0.887 0 50 FCAA CN(C)C(=O)CN1CC[C@H](NC(=O)c2cccc(OC(F)F)c2)[C@@H](O)C1 1565527223 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CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)C1(C(N)=O)CC1)C2 71745391 GJWSCWMRNAAIHG-UHFFFAOYSA-N 366.425 0.755 0 50 FCAA CCCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 72126319 OHHLOQQAUWAJLS-MRXNPFEDSA-N 351.422 0.747 0 50 FCAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1cc(=O)c2cccc(F)c2[nH]1 72150324 KGGMQRDWTWVPFI-CQSZACIVSA-N 358.373 0.360 0 50 FCAA CS(=O)(=O)c1cnc(NCCN2CCCC2=O)nc1[C@@H]1CCCNC1 72431096 HANQUGXBALZVHG-GFCCVEGCSA-N 367.475 0.381 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(CCC(=O)O)C1 72458434 KEMITPLFPHAQIF-CYBMUJFWSA-N 351.451 0.426 0 50 FCAA CO[C@H]1[C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2C12CCNCC2 72478746 ORXKKHQPQAZDDR-MSOLQXFVSA-N 368.437 0.901 0 50 FCAA CN(C)C1(CNC(=O)c2cn(CC[C@@H]3CCCCN3)nn2)CCOCC1 77354865 XQMCRIOAPXRZGU-HNNXBMFYSA-N 364.494 0.651 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nccs2)[C@H]3C1=O 77375175 DYJJAEADKSWMOQ-SYEQVDHESA-N 363.439 0.530 0 50 FCAA O=C(CN1CCC[C@@H](O)C1)N1CCN(c2cccc(Cl)c2)C(=O)C1 82108874 FDUIYVOXUCQCCO-OAHLLOKOSA-N 351.834 0.972 0 50 FCAA Cc1[nH]ccc1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82115008 QNHDGBPFNREBCS-UHFFFAOYSA-N 351.432 0.615 0 50 FCAA COc1ccc2c(C)c(C(=O)N3CCN[C@H]4CS(=O)(=O)C[C@H]43)oc2c1 91476351 MLKPDQGNCSBXJU-UONOGXRCSA-N 364.423 0.961 0 50 FCAA COCCN(C)C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H]1CO 91894931 XZEJBQUCQDLHPE-HZPDHXFCSA-N 373.457 0.526 0 50 FCAA COc1cccn(CC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1=O 95526354 NQLJBPOMPSXQHB-HNNXBMFYSA-N 363.414 0.097 0 50 FCAA Cc1cc(Br)cc(C)c1NC(=O)C(=O)NN1CC(=O)NC1=O 170617168 NZUXAHIUUFPDOI-UHFFFAOYSA-N 369.175 0.587 0 50 FCAA NC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3cccnc3)CC2)o1 172155166 DONPWXMVPTUHCO-UHFFFAOYSA-N 364.427 0.323 0 50 FCAA CN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)NCCc3ccncc3)C2)CC1 212553825 DQSRFRQEQDTDNF-SJORKVTESA-N 359.474 0.866 0 50 FCAA CC(C)[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1NS(C)(=O)=O 213081482 QSZNCEPDCFZPCZ-CABCVRRESA-N 371.484 0.753 0 50 FCAA COCCn1nnnc1[C@@H]1CN(Cc2cnn3c(C)cc(C)nc23)CCO1 216290983 JWTNERNHBZTMFE-HNNXBMFYSA-N 372.433 0.553 0 50 FCAA CNc1ncccc1C(=O)N1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 219845795 GSFMMNIVYFDIJA-OAHLLOKOSA-N 372.429 0.488 0 50 FCAA Cn1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)c(=O)[nH]c1=O 219860267 PTSYFXMTKLJIFX-XRGAULLZSA-N 355.394 0.450 0 50 FCAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(N)nc1)C2 220584661 COWCFFDFIOSVCW-HNNXBMFYSA-N 353.386 0.332 0 50 FCAA CN1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)(c2ccccc2)CC1 222692820 QPKANHJVTYNBPB-HNNXBMFYSA-N 358.442 0.754 0 50 FCAA Cc1cccc(N2CCN(CCC(=O)N3CC[C@](C)(O)[C@H](O)C3)CC2)c1 248124013 TXHYGFASHCWZPS-QUCCMNQESA-N 361.486 0.851 0 50 FCAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)c3cnc(O)cn3)C[C@@H]21 248182448 FGGSMDSNMQVWGB-VOJFVSQTSA-N 371.349 0.894 0 50 FCAA Cc1nc(C(=O)NCc2ccc(N3CCCC3=O)cc2)nn1-c1nnc[nH]1 253419207 FUMHNKZQCZWUOP-UHFFFAOYSA-N 366.385 0.751 0 50 FCAA C[C@H]1OCCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H]1C(N)=O 285463801 QXFVSFFLACCIDQ-BFVZDQMLSA-N 367.352 0.419 0 50 FCAA Cc1cnn(CCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)c1 299780394 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426381412 HKHHZQOFHOSMRR-SNVBAGLBSA-N 352.441 0.956 0 50 FCAA O=C(CN1CCCCC1=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426546248 SNGHQAJIBPLXHQ-HZPDHXFCSA-N 359.426 0.391 0 50 FCAA CCn1cc(-c2ccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)NC)cc2)cn1 534634793 DYUABKZGIKQOAI-MRXNPFEDSA-N 369.425 0.647 0 50 FCAA OCC1(Cn2cnc3c(N4C[C@H]5C[C@@H](O)CC[C@H]5C4)ncnc32)COC1 888097780 ONYKNUOYNGALMX-MJBXVCDLSA-N 359.430 0.432 0 50 FCAA CN1CCO[C@@H](CNC(=O)NC[C@@H]2CCN2C2CC2)[C@@H]1c1cnn(C)c1 888101869 PVNISYWQBWHYLI-ULQDDVLXSA-N 362.478 0.328 0 50 FCAA C[C@H](C(=O)N1CCC(CNC(=O)CCc2ccnn2C)CC1)n1cncn1 952860081 CZGANTFHLMNAMM-CQSZACIVSA-N 373.461 0.560 0 50 FCAA CN1CC(N2C[C@H](C(=O)NCc3ncc(C(F)(F)F)cn3)CC2=O)C1 952888637 UNIUIWWVQWBJLU-SECBINFHSA-N 357.336 0.274 0 50 FCAA NS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CNC[C@@H]3O)cc2)s1 1565530774 UQJKXNCLKYUBHO-RYUDHWBXSA-N 367.452 0.125 0 50 FCAA O=C(Cn1ccc(=O)cc1)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565530918 WYLWYINZWCEDSU-ROUUACIJSA-N 358.394 0.693 0 50 FCAA Cc1nn(C)c(C(=O)N[C@@]2(C)CC3(CCNCC3)OC[C@@H]2O)c1Cl 1704312329 IRNSGFMOXBHMGY-NHYWBVRUSA-N 356.854 0.774 0 50 FCAA Cc1ccccc1CCC(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704339368 JKWSPMBCLNHHGR-JKSUJKDBSA-N 354.472 0.950 0 50 FCAA CCCc1nnc2n1C[C@@]1(CCN(C(=O)c3n[nH]c4c3COCC4)C1)OC2 1857683305 UVSQCQRKHPWFRO-SFHVURJKSA-N 372.429 0.842 0 50 FCAA N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3nc4ccccc4s3)C[C@@H]12 1857696804 NPHLMNPJRNOUED-WDMOLILDSA-N 365.480 0.812 0 50 FCAA O=C(c1ccon1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857735491 PSHXZZIXAMNQSF-IRXDYDNUSA-N 358.398 0.984 0 50 FCAA COC(=O)/C=C/CCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 1875311671 JNEZOKSRDQAJBO-SQUITACLSA-N 371.393 0.831 0 50 FCAA O=C1N[C@@H](CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)C(=O)Nc2ccccc21 1875331426 GRVONVSNCCMXOT-HYKPAMGXSA-N 357.366 0.591 0 50 FCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3nnn(C)c3C)C2)c1C 1875400431 ZNIKFNREUCECEQ-CQSZACIVSA-N 372.477 0.601 0 50 FCAA Cc1nc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)c2cnn(C)n2)n[nH]1 1875407922 KHLVYTKVMVUKBT-YOGCLGLASA-N 358.406 0.197 0 50 FCAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2ccn3ccnc3n2)c1 2325862868 LQEWUZFHNIAERW-UHFFFAOYSA-N 367.369 0.979 0 50 FCAA NC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2cn(CC3CC3)nn2)cn1 2325873587 MJILUIVOGCKVEO-HNNXBMFYSA-N 356.386 0.396 0 50 FCAA O=C1CC[C@@H](N2Cc3c(NCC(=O)NC4CCC4)cccc3C2=O)C(=O)N1 2325897084 OCHUJJBIHHTSAU-OAHLLOKOSA-N 370.409 0.528 0 50 FCAA OC[C@@H]1O[C@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 3874443 LGZYEDZSPHLISU-AZAGILFBSA-N 371.397 0.092 0 50 FCAA biogenic CCN1CCN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)CC1 20029364 ULEKHQZEHTWESR-UHFFFAOYSA-N 367.471 0.819 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2cccn2)o1 60230122 CMGMIDHAPOJTCI-MRXNPFEDSA-N 359.430 0.682 0 50 FCAA O=C(Cn1c(=O)oc2ccccc21)N1CCCN(C(=O)[C@H]2CCCO2)CC1 65395865 IRFHXQCLWPRXPG-MRXNPFEDSA-N 373.409 0.834 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)NCCc3nncn3C)cnn2c1 67895729 IWUNOCNYBPHSRH-UHFFFAOYSA-N 356.434 0.672 0 50 FCAA CCOC[C@H](O)CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 71750083 SJYXEAYOSQTXNI-CQSZACIVSA-N 357.414 0.879 0 50 FCAA Cc1nnnn1-c1cccc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)c1 72132120 WKNZKSJRUIGHMT-INIZCTEOSA-N 369.429 0.007 0 50 FCAA Cc1cnn(C2(C(=O)O)CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)c1 72435348 RUZAOXUCIOGVOM-CQSZACIVSA-N 372.429 0.633 0 50 FCAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C 72475765 USJZOKSBPFHUHK-QGZVFWFLSA-N 371.485 0.567 0 50 FCAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)cn1 72477117 XCLVUZCHAVEQNY-UHFFFAOYSA-N 359.386 0.896 0 50 FCAA CCn1cc(C(=O)NCc2cc3n(n2)CCNC3)c(=O)c2ccc(C)nc21 82161821 VOUHYDGPLXYSRB-UHFFFAOYSA-N 366.425 0.955 0 50 FCAA Cc1cc(C)c(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)c(=O)[nH]1 91552051 MLMWOUJIXWWCPF-UHFFFAOYSA-N 353.386 0.620 0 50 FCAA CCC1=NO[C@@H](C(=O)N2CCn3nc(CCC(=O)NC4CC4)cc3C2)C1 91595851 PAULWPQTVQFIOQ-MRXNPFEDSA-N 359.430 0.991 0 50 FCAA Cc1ncn(Cc2nc(CC(N)=O)nn2-c2ccc3c(c2)OCCO3)c1C 96152395 KCTDOWSZNWEHSN-UHFFFAOYSA-N 368.397 0.928 0 50 FCAA COc1ccccc1-n1nc(C2CCOCC2)nc1C[C@H]1NC(=O)NC1=O 96166281 DCSPGTYWFAVISS-GFCCVEGCSA-N 371.397 0.920 0 50 FCAA COc1cc2c(cc1CN1CCN(S(N)(=O)=O)CC1)OCCCO2 216451501 RVGLNHHEAMFMMB-UHFFFAOYSA-N 357.432 0.178 0 50 FCAA COC[C@@H]1[C@@H](NC(=O)CCn2cnc3ccccc3c2=O)[C@@H]2CCO[C@@H]21 218874014 HMYCIOHZDIWFML-DACLVMHWSA-N 357.410 0.953 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cnc2ccccc2n1 222835605 JYXIJSZJTNCDLG-GDBMZVCRSA-N 358.398 0.622 0 50 FCAA COc1cn(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(C)cc1=O 225413967 GNUTYWKTMKNRQC-CABCVRRESA-N 369.421 0.973 0 50 FCAA biogenic C[C@H]1CC[S@](=O)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 241126146 JJVKEMCAEKZZRL-MCFWBGNESA-N 355.460 0.611 0 50 FCAA CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)c1OC 262110103 KETJJFYHMYEKBI-ZETCQYMHSA-N 364.807 0.802 0 50 FCAA COC(=O)c1cn(CC(=O)NCc2nc(C(C)C)no2)cc2c(=O)[nH]nc1-2 263588291 RIAHGMFFDMKXMO-UHFFFAOYSA-N 374.357 0.286 0 50 FCAA NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)O1 268419169 GCWLCLWEWLJTRB-SWLSCSKDSA-N 373.413 0.692 0 50 FCAA O=C(O)CN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CC1 268953538 SDFSNZCFMXEWLO-NSHDSACASA-N 360.366 0.886 0 50 FCAA CN1CCN(c2cc(N3CC[C@](CO)(c4ccccc4)C3)ncn2)CC1=O 292312079 LXXOZNUFEDAGAR-FQEVSTJZSA-N 367.453 0.895 0 50 FCAA C[C@@H]1Cc2cc(C(=O)N3CCOC[C@@H]3C(=O)O)ccc2N1S(C)(=O)=O 299753366 XZJJHPYPKTVNJK-QMTHXVAHSA-N 368.411 0.323 0 50 FCAA Cc1nccn1[C@H](C)C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299766342 NMOSTVRZCKBMLG-LLVKDONJSA-N 366.447 0.041 0 50 FCAA Cc1cc(N2CCC[C@H](NS(=O)(=O)C3CCOCC3)C2=O)n(C)n1 328612108 NYMNFZGAAIZWLE-ZDUSSCGKSA-N 356.448 0.322 0 50 FCAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 331956118 IVYZEQAPWUXSRT-VIFPVBQESA-N 360.819 0.868 0 50 FCAA O=C(O)[C@@H]1Cn2c(O)nnc2CN1C(=O)[C@@H]1C[C@@]12CCc1ccccc12 333459079 GEDVIGMDBHQPET-ZJNRKIDTSA-N 354.366 0.683 0 50 FCAA CN(CCS(=O)(=O)N(C)C)C[C@@]1(O)CCN(Cc2ccccc2)C1 375631641 QNJISPAIEWYOTH-KRWDZBQOSA-N 355.504 0.447 0 50 FCAA NS(=O)(=O)c1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c(Cl)c1 408111280 CRHQXPIZDIVSTA-CHWSQXEVSA-N 371.846 0.871 0 50 FCAA CN(C(=O)NCc1nc(-c2ccncc2)n[nH]1)C1CCS(=O)(=O)CC1 534631118 OGHIARVWYZGWLI-UHFFFAOYSA-N 364.431 0.585 0 50 FCAA O=C(NCc1ccccc1N1CCOCC1)c1ccc(-n2cnnn2)cn1 847379544 HUHJESCGFQMDCG-UHFFFAOYSA-N 365.397 0.824 0 50 FCAA Cc1ccccc1CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](N(C)C)C1 859753918 UVADGUCWJAHMAF-MSOLQXFVSA-N 356.474 0.732 0 50 FCAA COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCCN1CCNC1=O)CCS2 896516997 USRXYIYYZUETEY-BGMSHATGSA-N 370.475 0.528 0 50 FCAA CC(C)Cc1nc(CN2CCC(N3CCN(CCO)CC3)CC2)no1 1529110521 OHHBAZPRVUJZNS-UHFFFAOYSA-N 351.495 0.842 0 50 FCAA O=C(N[C@H]1CCN(c2cnccn2)C[C@@H]1O)c1ccc2c(c1)OCCO2 1565512500 IIILUJOXUBNEFF-KBPBESRZSA-N 356.382 0.617 0 50 FCAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCc3ncnn3C2)CC1 1857732293 KQXFBZNTQRNYFN-CQSZACIVSA-N 369.425 0.834 0 50 FCAA COc1nn(C)cc1C(=O)N[C@@]12CC[C@@](CNc3ncccn3)(C1)OC2 1875347717 WUDZELHYISDRFF-IRXDYDNUSA-N 358.402 0.752 0 50 FCAA NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350346 JEJNTTZPVRIINF-QWRGUYRKSA-N 368.397 0.945 0 50 FCAA CO[C@@H]1COC[C@@H]1S(=O)(=O)NC[C@@H](c1ccccc1)c1nc[nH]n1 1875362830 VICOOMDOINCWAW-MJBXVCDLSA-N 352.416 0.270 0 50 FCAA CN1CCN(c2cc(N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)ncn2)CC1=O 1875398516 UCXBOQALOHKEPL-RBSFLKMASA-N 371.445 0.203 0 50 FCAA CNC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 2325749370 FQZAJZYDCZWQRH-KGLIPLIRSA-N 363.462 0.206 0 50 FCAA COc1ccccc1N1C[C@H](C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)CCC1=O 2325790022 GEQQZKHKYACZKP-IPYPFGDCSA-N 357.410 0.928 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(N)n2C[C@H](O)COc1ccc(Cl)cc1 828775 KWKBEXMXBMKTSC-VIFPVBQESA-N 365.777 0.099 0 50 FCAA COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 4995952 CFWAWQXOOQNADU-UHFFFAOYSA-N 350.824 0.877 0 50 FCAA CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)CC1 13672780 KDLQBQDIIHZDJI-UHFFFAOYSA-N 374.551 0.743 0 50 FCAA O=C(COc1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 41241801 BZUHWUBKFAJGRL-OAHLLOKOSA-N 371.437 0.747 0 50 FCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 41318641 FEYLYEKKBUYYMR-OAHLLOKOSA-N 367.471 0.532 0 50 FCAA CCn1cc(S(=O)(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)c(C)n1 72131848 YPWIVDYEMQWYSZ-GFCCVEGCSA-N 356.448 0.429 0 50 FCAA CC(C)C(=O)NCC(=O)N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 72429104 UFJUCPFMRMCMRL-QGZVFWFLSA-N 365.449 0.993 0 50 FCAA O=C(O)C1(n2cccn2)CCN(c2cc(N3CCOCC3)ncn2)CC1 72447467 GXNOTPNYDRMYEF-UHFFFAOYSA-N 358.402 0.590 0 50 FCAA CN1CCc2n[nH]c(C(=O)N3CCCn4nc(CCC(=O)O)cc4C3)c2C1 72454152 HGUSFHBRGHACPB-UHFFFAOYSA-N 372.429 0.657 0 50 FCAA CC(=O)NCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC=C(C)CC2)[C@H]3C1=O 77565580 FZODVNDSOSOZKY-RCJHGTSTSA-N 359.426 0.083 0 50 FCAA O[C@H]1CCCOC12CCN(c1ncc(F)c(N3CCOCC3)n1)CC2 91624602 YRRZLLVTLGQGDI-AWEZNQCLSA-N 352.410 0.963 0 50 FCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1 92081054 IKRCMMTUWRNFLH-YJYMSZOUSA-N 359.474 0.770 0 50 FCAA Cn1nc(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)ccc1=O 111124868 WMEDVMBOTIMJEW-MRXNPFEDSA-N 356.426 0.454 0 50 FCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)Cc1cc(C)n[nH]1 218961170 LGRGUJIXPWGOID-SECBINFHSA-N 352.416 0.735 0 50 FCAA C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cnc3ccccc3c1=O)C2 219792308 GWSPMPDCVHBOSI-GFCCVEGCSA-N 353.382 0.689 0 50 FCAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccccc1)C2 222328831 IXVRGRDXIQFBDO-INIZCTEOSA-N 373.438 0.903 0 50 FCAA C[C@@H]1CN(CCC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@@H](C)O1 237400947 FRBRMLMRUCJYOV-HZPDHXFCSA-N 366.506 0.156 0 50 FCAA COc1ccc(OCCCN)c(C(=O)N2CCO[C@H](C(=O)N(C)C)C2)c1 299760175 OCJILLUHAIFFBC-INIZCTEOSA-N 365.430 0.352 0 50 FCAA Cn1cc(Cl)cc1C(=O)N1CCO[C@H](CNc2nccn(C)c2=O)C1 328625598 DHZINXBDUWFFAP-GFCCVEGCSA-N 365.821 0.725 0 50 FCAA CCc1noc([C@@H](C)N2C[C@H](N(CC)Cc3nnc(C)o3)[C@H](O)C2)n1 328632579 LKYXTFDQZOBAJK-KGYLQXTDSA-N 350.423 0.952 0 50 FCAA Cc1c([C@@H]2[C@@H](C(=O)N(C)CCc3cnccn3)CC(=O)N2C)cnn1C 372884447 WEEHYHGZIYNOQO-YOEHRIQHSA-N 356.430 0.739 0 50 FCAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1C(=O)OCC1(C)C)C2=O 390832724 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1704280049 MFXXAJIKOPTHFB-CRAIPNDOSA-N 364.405 0.854 0 50 FCAA Cc1cccc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2cnc(O)[nH]2)C3)n1 1704303809 BIHGASRWQFPUKA-ZFWWWQNUSA-N 357.414 0.792 0 50 FCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCO)C2 1772703310 DERUUZADQOXNDQ-HOCLYGCPSA-N 350.415 0.275 0 50 FCAA Cc1n[nH]cc1-c1nc([C@@H]2CCCN(CC(N)=O)C2)n(-c2cnn(C)c2)n1 1772808975 HULSURKZJPOUJC-GFCCVEGCSA-N 369.433 0.364 0 50 FCAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)c3cc(-n4cnnn4)n[nH]3)C2)n1 1857678955 NQVRQGWUYQNGRW-SNVBAGLBSA-N 355.362 0.209 0 50 FCAA O=C(C1CCOCC1)N1CCO[C@]2(CCN(c3nnc4ccccn34)C2)C1 1857694982 NWYKHVNJZTXJHC-LJQANCHMSA-N 371.441 0.964 0 50 FCAA CS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1 1875245488 BUNHEQXZDDGLIB-KKUMJFAQSA-N 368.455 0.044 0 50 FCAA COC(=O)/C=C/C(=O)N[C@@H]1COC[C@@H]1Oc1cnn(-c2ccccc2)c1 1875379374 RXUOYNZPGFXOAS-KJMJWJSPSA-N 357.366 0.864 0 50 FCAA O=C(c1ccc2c(c1)CC2)N1CCC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1875406768 LQKIVBAESXOOSP-KRWDZBQOSA-N 356.422 0.875 0 50 FCAA 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0.779 0 50 FCAA CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc3nnnn3c1)C2 299778422 JAOXSMNJTVRDRC-UHFFFAOYSA-N 367.417 0.245 0 50 FCAA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)CCCn2cccc2)C1 328648445 UOFGHGLVHKPFED-OAHLLOKOSA-N 358.446 1.079 0 50 FCAA CCOc1cc(N2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)ncn1 328656858 ZSGKGSACKCCMKT-ZDUSSCGKSA-N 360.418 0.311 0 50 FCAA CC(=O)N[C@H]1CCN(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)C1 426422038 UGXIPFIAYYZEDW-INIZCTEOSA-N 369.425 0.830 0 50 FCAA CS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3CNC[C@H]3O)CCCCC2)cc1 426442871 IELDDMJDKFAAIA-HZPDHXFCSA-N 366.483 0.741 0 50 FCAA CC(=O)N1CCC(Nc2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1 426474083 BWRNZBWNADKMGH-ZDUSSCGKSA-N 361.446 0.584 0 50 FCAA COCCn1cnnc1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 426705698 MRBIBVASDBEIER-HNNXBMFYSA-N 350.467 0.737 0 50 FCAA O=C1Nc2ccc(F)cc2C2(CN(C(=O)NCCN3CCOCC3)C2)O1 891448984 IHLYBLFIKYICKQ-UHFFFAOYSA-N 364.377 0.941 0 50 FCAA O=C1CCCCN1CCCC(=O)N1CCC[C@H]1C(=O)N1CCOCC1 952979126 GAHNQIWRJZULHK-HNNXBMFYSA-N 351.447 0.629 0 50 FCAA CCn1nc(CO)c2c1CCN(c1nccc(N3CCC[C@@H](O)C3)n1)C2 1506423446 DTWUPKCQCSYNGN-CYBMUJFWSA-N 358.446 0.709 0 50 FCAA Cc1nc(CN2CCCN(C(=O)C(C)(C)N3CCOCC3)CC2)n[nH]1 1529151601 KLAKWGSWTOPFLQ-UHFFFAOYSA-N 350.467 0.258 0 50 FCAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565507573 CYIJZFXEJPWKSZ-ROUUACIJSA-N 372.469 0.658 0 50 FCAA CCc1nccn1CCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1616089870 ZCGNJWDUXLYDMR-IRXDYDNUSA-N 357.458 0.982 0 50 FCAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2cn(CC)nc2C)C[C@@H]1O 1704314857 WLIHFPTUQCSCDM-ZFWWWQNUSA-N 359.448 0.838 0 50 FCAA Cc1ccc(N2CCCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)nn1 1772807469 XHJJUVHJUHBRJA-HNNXBMFYSA-N 360.462 0.021 0 50 FCAA O=C1CCN(c2ccccc2C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)C(=O)N1 1857712768 HGVLXTTXNCASJQ-UHOFOFEASA-N 373.409 0.745 0 50 FCAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3ccc(Cl)o3)C[C@H]2CO1 1857733390 IWDWDJJYCAEZKV-WOPDTQHZSA-N 355.822 0.983 0 50 FCAA O=C(CCCc1nc(-c2cccnc2)no1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875244983 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O=C(NC[C@@H]1CNCCO1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91646105 PCUHLRKBVXIBMK-XACAWQSSSA-N 372.469 0.956 0 50 FCAA Cc1cccnc1CNC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 97713671 AXHBAQWTWCQRBD-HNNXBMFYSA-N 351.472 0.905 0 50 FCAA O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1c[nH]c2ncnn2c1=O 105529542 KQIBVJHMDUIDLT-NSHDSACASA-N 358.402 0.471 0 50 FCAA CN1CCC(O)(CCNC(=O)[C@]23CNC[C@H]2CN(C2CCCC2)C3)CC1 209779951 AHEQMANVIKZQJB-JXFKEZNVSA-N 364.534 0.413 0 50 FCAA Cc1nonc1CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 213028728 YOJKWSDMEWLLOR-NEPJUHHUSA-N 359.338 0.976 0 50 FCAA O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cnn2cc(CCO)cnc12 215028732 OVBCZMYQMVVIRM-CABCVRRESA-N 371.441 0.785 0 50 FCAA COc1ccc(CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1Cn1cccn1 219342124 QITIVVHTIMKEOO-HZPDHXFCSA-N 365.455 0.530 0 50 FCAA CN(C)C1=NC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)C(=O)N1 220181587 JTQAGWSGYSKTNY-UHFFFAOYSA-N 368.441 0.835 0 50 FCAA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c1C 222928188 KRGOYFWSTHTQPP-UHFFFAOYSA-N 357.414 0.890 0 50 FCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1coc(CN2CCOCC2)c1 223439443 KAZAUIDPZBAKJB-HUUCEWRRSA-N 368.386 0.100 0 50 FCAA COCCn1c(CN2CCC(O)(CN(C)C)CC2)nnc1[C@H]1C[C@@H](N)C1 252518153 AEGWHJNFDJRXDN-GASCZTMLSA-N 366.510 0.018 0 50 FCAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 299741921 HUGDFCKDVBVCAM-AAEUAGOBSA-N 360.366 0.744 0 50 FCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nnc(C)s2)o1 299794353 JTINZKQGYAXPTN-ZDUSSCGKSA-N 363.443 0.755 0 50 FCAA CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 330543347 JERTUHPZZCZXMI-CYBMUJFWSA-N 374.484 0.688 0 50 FCAA COCCN1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1=O 367218452 GXQIERFCUYRTGP-OAGGEKHMSA-N 373.457 0.889 0 50 FCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC2(O)Cc3ccccc3C2)C1=O 370942307 OSWYRFBJDTWOEO-GOSISDBHSA-N 357.410 0.353 0 50 FCAA CN(C)[C@@H]1CN(C(=O)c2cc(Cn3cccn3)on2)C[C@@H]1n1ccnn1 862937220 BXNKGNIGTGYICF-CABCVRRESA-N 356.390 0.138 0 50 FCAA COc1ccc(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)cc1F 886096825 KUSPGFATTRNMSF-QGZVFWFLSA-N 352.362 0.836 0 50 FCAA Cc1nnc(COC2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C2)o1 886096997 IWGGIYRZYUWJAN-HNNXBMFYSA-N 350.419 0.606 0 50 FCAA O=C1CC[C@@H](C(=O)N2CCCN(CC(=O)Nc3ccccc3)CC2)CN1 1529094665 JFCLIFHFLMMQHI-OAHLLOKOSA-N 358.442 0.686 0 50 FCAA O=C(NCc1cc(O)ncn1)[C@]12CNC[C@H]1CN(Cc1ccccc1)C2 1565508031 YGZKWAQZHABMQX-KXBFYZLASA-N 353.426 0.520 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cc1 1857676298 FCVIEAJNJDUNOM-GXTWGEPZSA-N 351.428 0.335 0 50 FCAA CNC(=O)Cc1nc([C@@H]2CCc3ncnn3C2)n(Cc2ccccc2)n1 1857677332 WQMCVHMOSRQUOK-CQSZACIVSA-N 351.414 0.936 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857732807 HWIZKQRGRYEJPC-AVGNSLFASA-N 353.444 0.234 0 50 FCAA O=C(O)CCCCn1cc(CSCC(=O)N2CC[C@H](O)[C@@H](F)C2)nn1 1875356770 WWBKHCNPCXAXPV-STQMWFEESA-N 374.438 0.698 0 50 FCAA O=C(CO[C@@H]1CCOC1)NCC1(O)CC(Nc2cncc(Cl)n2)C1 1875406659 JGEICVZOCPDDKQ-LOIXOFCESA-N 356.810 0.357 0 50 FCAA 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171152905 DSROGKRCCKHZLB-CQSZACIVSA-N 360.458 0.749 0 50 FCAA O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1cnn(CC(F)F)c1 186518558 VULWXEONQINLFR-NSHDSACASA-N 372.401 0.886 0 50 FCAA O=C(CN1C[C@H](c2ccccc2)CC1=O)NCC1CCS(=O)(=O)CC1 252480500 CBBGYKWAGYEDSG-MRXNPFEDSA-N 364.467 0.944 0 50 FCAA Cc1nc(S(=O)(=O)NC[C@](C)(O)C(=O)O)sc1Br 263513802 YWHOZPBCBLYPHD-QMMMGPOBSA-N 359.223 0.328 0 50 FCAA COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](C(=O)O)C3)CC2=O)cc1OC 299743510 NWJRCCQFLRPGMT-RYUDHWBXSA-N 362.382 0.990 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(CCOc2ccc(F)cc2)C[C@H]1O 299802634 UGXOHWIGEXQBKU-HUUCEWRRSA-N 361.439 0.036 0 50 FCAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cccc3c2OCCO3)n1 328631835 RKAMNGWGXDTKQN-WDEREUQCSA-N 367.383 0.646 0 50 FCAA Cc1c([C@H](C)NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cnn1C 426475440 ORBFIEPMBNVNTC-NSHDSACASA-N 362.434 0.858 0 50 FCAA Nc1ccc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cn1 827561381 ICNJKHQSEPTOCE-IPFXWSOASA-N 363.465 0.961 0 50 FCAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952968110 NXDNPLAFPWHYFW-CQSZACIVSA-N 357.414 0.892 0 50 FCAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cn1ccccc1=O 1565526259 JTLKJMOXPXZESO-CABCVRRESA-N 367.409 0.402 0 50 FCAA Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c2ncccc2c1 1704312520 SOTNWXBDCZBUPQ-QWHCGFSZSA-N 350.396 0.999 0 50 FCAA CCN1CCC[C@@H](C(=O)N2CCCN(C(=O)CCS(C)(=O)=O)CC2)C1 1772706871 WKIZIHRRSGCWLL-OAHLLOKOSA-N 373.519 0.214 0 50 FCAA CC[C@@]12COC(=O)N1CCN(C(=O)CN1CCN(c3ncccn3)CC1)C2 1857667964 VERLKKQVSHPWLH-GOSISDBHSA-N 374.445 0.042 0 50 FCAA O=C(O)c1n[nH]c2c1CN(C(=O)[C@H](c1cccnc1)N1CCOCC1)CC2 1857714023 IIJJEMKNLHPTLH-INIZCTEOSA-N 371.397 0.461 0 50 FCAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCNS(C)(=O)=O)CC1 1857715437 RINBVDPCPINXGS-UHFFFAOYSA-N 368.459 0.236 0 50 FCAA Cc1nc(C(=O)N2CCN(C)C(=O)C2(C)C)nc(N2CC[C@@H](N)C2)c1C 1875301219 FYIIWRGERGHOGX-CYBMUJFWSA-N 360.462 0.324 0 50 FCAA C=CC(=O)NCC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 1875302944 OSWYFLDGNBQRHL-AWEZNQCLSA-N 371.315 0.887 0 50 FCAA O=C(c1cnn(C(F)F)c1)N1C[C@H]2[C@@H](NC(=O)C3(O)CC3)CC[C@H]2C1 1875408055 NOGLJVWDKWFEPR-WCQGTBRESA-N 354.357 0.770 0 50 FCAA CCN1CC[C@H](NC(=O)c2nn3c(=O)cc(-c4ccccc4)nc3[nH]2)C1 2325805148 TVRSKWZPUDFCBJ-ZDUSSCGKSA-N 352.398 0.909 0 50 FCAA CN(C(=O)c1cc2c(n1C)CCOC2)[C@@H]1COC[C@@H]1Oc1cnn(C)c1 2325811660 OMZFOLSRKCEFIS-SJORKVTESA-N 360.414 0.750 0 50 FCAA CCO[C@H](C)C(=O)N1CC(O)([C@@H](C)NC(=O)c2cn3c(n2)CCCC3)C1 2325868794 LAPPSPSTCOWIEH-CHWSQXEVSA-N 364.446 0.336 0 50 FCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3nnc(O)c4ccccc34)CC2)[C@H]1O 2356161735 HKGQIJSLABMFTA-ZWKOTPCHSA-N 373.409 0.842 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCC[C@@H](CN2CCC(n3cnnc3)CC2)C1 2356162726 QDKDBYHUYIFWNO-HUUCEWRRSA-N 370.523 0.870 0 50 FCAA CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)OC 4763850 HDCFZVUKHWLREV-VHDGCEQUSA-N 366.414 0.978 0 50 FCAA Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1Cc1ccccc1 12374125 TUQDLWUPFYCSSU-UHFFFAOYSA-N 367.409 0.889 0 50 FCAA COc1ccc(S(=O)(=O)NCCN(C)C)cc1C(=O)N1CCCC1 13670649 WXONKWLEOSDVBX-UHFFFAOYSA-N 355.460 0.771 0 50 FCAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Br)cc3)CN2C1=O 14540342 FKWREZSDPJPUHF-UWJYBYFXSA-N 366.215 0.667 0 50 FCAA CC[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCN2C1=O 14744686 HVJIXYHXVOZKPI-UONOGXRCSA-N 365.455 0.413 0 50 FCAA CCn1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20051998 UXPJSPOSGVXRDI-UHFFFAOYSA-N 374.445 0.118 0 50 FCAA C[C@H](N)C(=O)N1CCC(Cn2cc(CN3CCSCC3)nn2)CC1 23478642 WQSORBFTNUIIRV-ZDUSSCGKSA-N 352.508 0.413 0 50 FCAA CN1CC(=O)N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@@H]2C1=O 65399162 XDNGEEDSEWTWCR-BCFZYGEVSA-N 360.458 0.650 0 50 FCAA COCCN1C[C@H](Nc2nc(-c3cccnc3)nc3c2CCNC3)CC1=O 67712963 JYCULCWWBHBTJR-CQSZACIVSA-N 368.441 0.844 0 50 FCAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)c3cnccn3)CC2)nn1 67833896 XXQABKKECSINSG-UHFFFAOYSA-N 357.418 0.931 0 50 FCAA NS(=O)(=O)c1ccsc1C(=O)N1CCC(N2CCC[C@@H](O)C2)CC1 72135410 SSSSVAAPTRFHKF-GFCCVEGCSA-N 373.500 0.457 0 50 FCAA O=C(NC1CC1)[C@@H]1CNCCN1C(=O)Cn1ccnc1-c1ccccc1 72173824 CTXRBRNPIVLWBV-INIZCTEOSA-N 353.426 0.629 0 50 FCAA COCCOCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 72410057 LTQHMPJQOGYAST-HNNXBMFYSA-N 364.446 0.682 0 50 FCAA Cc1cccc(CN2CCN(C(=O)CCn3cncn3)C[C@@H]2CCO)n1 72420425 QLMXNAKWMCFCEY-KRWDZBQOSA-N 358.446 0.467 0 50 FCAA CCn1ccnc1CN1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72456617 NGBPYRLMZBNABC-UONOGXRCSA-N 354.476 0.369 0 50 FCAA O=C(C[C@@H]1COCCN1C(=O)c1c[nH]c(=O)cn1)NCC1=CCCCC1 72481123 RVWNKEVOWHSGML-CQSZACIVSA-N 360.414 0.618 0 50 FCAA CC[C@@H](C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1 77343227 NVYQYCKLRKRGQJ-KRWDZBQOSA-N 361.490 0.987 0 50 FCAA CC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 82107661 QBBZONHHWJFZKH-IBGZPJMESA-N 358.442 0.949 0 50 FCAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(N)(=O)=O)CC3)cc2)n1 82121490 VVOYWRXMSHMDKJ-UHFFFAOYSA-N 363.443 0.450 0 50 FCAA O=C(NCc1ccncc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91486930 VSIADCSUCGGVPB-MRXNPFEDSA-N 358.442 0.949 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CN1Cc1cccc(C)n1 91526101 WTGZJYARTCZWNP-SJORKVTESA-N 370.457 0.482 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(N)ncn1)CC2 91725268 RQDROTHNONGUDG-UHFFFAOYSA-N 357.418 0.309 0 50 FCAA COc1cc(OC)nc(N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)n1 91781807 BOGGDPXWYXEXQT-LXTVHRRPSA-N 366.462 0.648 0 50 FCAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCc3cnccn3)C2)cn1 95370473 WTAHOCHIRXVVOB-CABCVRRESA-N 368.441 0.703 0 50 FCAA CC(C)=CCN1CCN(C(=O)Cc2nonc2C)[C@H]2CS(=O)(=O)C[C@H]21 95504556 DARCYDNQKHQDBS-CABCVRRESA-N 368.459 0.197 0 50 FCAA COCCNC(=O)c1ccc(NC(=O)NC[C@@]2(O)CCCNC2)c(C)c1 97568828 VRYJLVMIZBBOBG-GOSISDBHSA-N 364.446 0.607 0 50 FCAA CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)NC(=O)N3)CC2)cc1 97694865 CPHQWUWIJCTZKF-OAHLLOKOSA-N 358.398 0.526 0 50 FCAA CCc1nc(CNC(=O)c2cccc(S(=O)(=O)NCCCO)c2)no1 215354587 PDCCTQOSJWXUHQ-UHFFFAOYSA-N 368.415 0.223 0 50 FCAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(CO)nc3c2)C1 219182226 GZOVONZXAOLRPL-XYPYZODXSA-N 356.386 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O=C(N[C@@H]1CNC[C@H]1O)c1cccc(-c2ncc(F)c(N3CCCC3)n2)c1 534590667 KODBIZVJWQXWJG-HZPDHXFCSA-N 371.416 0.945 0 50 FCAA C[C@H](Cn1cncn1)C(=O)NCCn1nc(-c2ccccc2)ccc1=O 827628148 ZQPTWRJXGLOEAK-CQSZACIVSA-N 352.398 0.954 0 50 FCAA CN1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCCO1)CCO2 827969799 RQPRFOFATXDHGA-JKSUJKDBSA-N 365.474 0.480 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccc(F)c(Cl)c2)C1 952865360 ROLHJIMFEQDBNF-IINYFYTJSA-N 371.796 0.918 0 50 FCAA CS(=O)(=O)CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565528356 YMKILSOBUNOSMW-GJZGRUSLSA-N 357.428 0.266 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(-c3cn[nH]c3)c1)C2 1704324997 GGJJLCROQLUKGU-GUYCJALGSA-N 370.409 0.934 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc2c1OCCO2 1704340161 WBMCEMWRTUAVHQ-AAEUAGOBSA-N 370.427 0.094 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@]2(C(N)=O)CCOc3ccccc32)C1 1875371408 ZIKRCQOSDNVPIB-DJJJIMSYSA-N 357.410 0.691 0 50 FCAA O=C(NCCN1C(=O)COc2ccccc21)c1ccn2c(O)nnc2c1 2325854432 DHVPGGCAXACLPG-UHFFFAOYSA-N 353.338 0.590 0 50 FCAA O=C(O)CCC(=O)Nc1ccc(C(=O)O)cc1NC(=O)CCC(=O)O 2845787 DJBPHOJYYGTFOD-UHFFFAOYSA-N 352.299 0.991 0 50 FCAA CCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 20058814 XYRXWYZXXLARIQ-UHFFFAOYSA-N 354.476 0.464 0 50 FCAA NC(=O)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 67688908 DMSRCFHMCAYFMC-UHFFFAOYSA-N 355.402 0.121 0 50 FCAA CCC1CCC(C(=O)NCC(=O)N2CCN3CCN(C)C[C@@H]3C2)CC1 67919889 OTQICNCHMQPEHR-OFLPRAFFSA-N 350.507 0.777 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](COc2ccccc2F)C1 72407482 KFYLNGCRBBYBAA-ZDUSSCGKSA-N 361.373 0.993 0 50 FCAA CC(C)C(=O)N1CCN(C(=O)c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72418153 DMIBUGVCOSJSEK-CABCVRRESA-N 366.439 0.498 0 50 FCAA Cc1nc(C2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc(N2CCOCC2)n1 72429139 GWRTUHYCGVZMLC-UHFFFAOYSA-N 373.457 0.593 0 50 FCAA Cn1cnnc1CCNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72440754 REKNBAIMTWSRNQ-LLVKDONJSA-N 365.463 0.130 0 50 FCAA CCNc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cn1 77354182 JMCOVECLBQSDQB-SFHVURJKSA-N 361.446 0.746 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3CCN(c4ncccn4)CC3)cnc21 77355495 PVFBFVGSAZXUEN-UHFFFAOYSA-N 352.402 0.786 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc[nH]n2)[C@H]3C1=O 77378982 OCPHTIIUPXKXAA-XSWJXKHESA-N 360.414 0.187 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 95360018 AKRJEFODLNGWNI-CQSZACIVSA-N 367.413 0.768 0 50 FCAA COc1ccccc1-n1nc(CC(N)=O)nc1Cn1c(C)cc(C)nc1=O 96139122 HAKGITOOJAFWCT-UHFFFAOYSA-N 368.397 0.526 0 50 FCAA Cn1ncc(N2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)cc1=O 109517795 APJJOGLZJGDTNG-UHFFFAOYSA-N 353.386 0.024 0 50 FCAA CC(=O)N[C@@H]1[C@@H](NC(=O)CCN2Cc3ccccc3C2=O)[C@H]2CCO[C@H]21 222452284 LRNSSIGSMCGDCE-BZZMCLGOSA-N 357.410 0.441 0 50 FCAA Cc1nn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c(=O)c2ccccc12 223088024 JYMNMTYJGRIDBY-BZZMCLGOSA-N 356.426 0.539 0 50 FCAA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)c(=O)[nH]1 223885368 GSTAZKJUOXKBDK-HZPDHXFCSA-N 371.393 0.749 0 50 FCAA Cn1ccnc1[C@@H](NC(=O)C(=O)N1CCC[C@@H](O)C1)c1cccc(F)c1 241515553 OGGAFNNLYNOLOD-CABCVRRESA-N 360.389 0.748 0 50 FCAA C[C@@H]1CN([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CCN(C)CC1 252586080 NIZVIDDHXVZTRJ-KURKYZTESA-N 374.533 0.873 0 50 FCAA O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1COCCN1CC1CCC1 287759117 LXTXIIVNPJIOKW-QGZVFWFLSA-N 358.442 0.947 0 50 FCAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@H]1CN 299740352 YUMVGJBHBHCNMX-DOMZBBRYSA-N 360.501 0.979 0 50 FCAA Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CCN(C4CCN(C)CC4)C3)nc2n1 370830467 NJZNKKJDUSQQFV-MRXNPFEDSA-N 371.489 0.982 0 50 FCAA N=c1cc[nH]cc1-c1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1 426612985 UEXKPQHAWBRTNP-DLBZAZTESA-N 372.450 0.372 0 50 FCAA CNC(=O)Cn1cc(-c2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)cn1 534581933 LPYWGYVXOGURII-MRXNPFEDSA-N 369.425 0.647 0 50 FCAA CN1CCc2ncnc(NC[C@@H]3OCCN(C)[C@H]3c3ccnn3C)c2C1 886081886 BBHHQUYBJCCYQM-IRXDYDNUSA-N 357.462 0.682 0 50 FCAA COCCc1noc([C@H]2CCCCN2C(=O)CCNS(C)(=O)=O)n1 952869893 OMPPIIISQLGLPY-LLVKDONJSA-N 360.436 0.251 0 50 FCAA Cn1ccc(NC(=O)CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n1 1565506595 HTTBSELGOWRWQL-KGLIPLIRSA-N 358.398 0.938 0 50 FCAA CN(C)C[C@@]12CN(C(=O)c3ccoc3)C[C@H]1CN(C(=O)c1cnccn1)C2 1772706228 AKNIMIVBCQUWKG-KXBFYZLASA-N 369.425 0.846 0 50 FCAA Cc1cnc(C)c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@]3(CO)C2)n1 1772803966 BKYOZAAKPPTJPB-LPHOPBHVSA-N 360.458 0.777 0 50 FCAA Cc1n[nH]cc1-c1nc(-c2cc3n(n2)CCN(C)C3=O)n([C@H]2CCOC2)n1 1857678001 QBWYKKBAYPLJNM-NSHDSACASA-N 368.401 0.887 0 50 FCAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@H]5CC[C@@H](O)[C@H](N)C5)(C4)C2)C3)n1 1857738747 WVCKYQQFDHFOOK-UKQRWCLMSA-N 374.489 0.634 0 50 FCAA CN(C)c1nc(O)c2c(n1)CCN(C(=O)[C@@H]1CCc3ncnn3C1)CC2 1857739955 ATPBELKQYJKOMD-LLVKDONJSA-N 357.418 0.030 0 50 FCAA Cc1cccc(N=c2[nH]c(CN3CCO[C@@H]4C[C@H](CO)C[C@@H]43)nc(=N)[nH]2)c1 1875241817 IUJDWAJGVAVSHT-VNQPRFMTSA-N 370.457 0.730 0 50 FCAA O=C(c1cnc(=NCc2ccc(-n3cccn3)cc2)[nH]c1)N1CCNCC1 2325798239 ZGSGLUJDVAHSJT-UHFFFAOYSA-N 363.425 0.742 0 50 FCAA CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)Nc2c(C)cccc2C)NC1=O 796562 VKHOWRFFZSGKFE-UHFFFAOYSA-N 362.411 0.492 0 50 FCAA CCc1cccc(C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851760 CNSQAYSNXQIXCO-UHFFFAOYSA-N 355.398 0.943 0 50 FCAA biogenic CN(C)c1cnn(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)c(=O)c1 20877751 QCCSMHMXFPSGLU-HNNXBMFYSA-N 359.430 0.856 0 50 FCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)Cc1ccc(S(C)(=O)=O)cc1 67678538 QFZNWPKSNJUGKR-KGLIPLIRSA-N 350.440 0.854 0 50 FCAA COc1cccc(CN2CCC[C@@](O)(CNCCn3cc(C)nn3)C2=O)c1 67868797 XLUHRLFPZWGKGD-LJQANCHMSA-N 373.457 0.738 0 50 FCAA Cc1ccncc1C(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N2CCN(C)CC2)C1 72146398 ZSDPZFPNKYBKRJ-CABCVRRESA-N 374.441 0.327 0 50 FCAA Cn1nc2c(c1C(=O)NCc1cc(N3CCOCC3)ncn1)CCCC2 72456658 AGMXLOUBWIYFKP-UHFFFAOYSA-N 356.430 0.856 0 50 FCAA Cc1nn(CC(=O)NCc2cn3c(n2)SCC3)c(=O)n1-c1ccccc1 77421847 WNPDJNLWHUIYOG-UHFFFAOYSA-N 370.438 0.961 0 50 FCAA Cn1cnc2cc(C(=O)N3CCOC[C@@](O)(CN4CCCC4)C3)ccc21 77504687 OPOSHMLVRLAXSZ-LJQANCHMSA-N 358.442 0.873 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 77555625 ZNGLSZGEQJLHLD-GFCCVEGCSA-N 367.409 0.963 0 50 FCAA CN(C)c1nc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)ncc1F 82096554 OOUZIAGJJQNPBI-QGZVFWFLSA-N 351.426 0.883 0 50 FCAA COc1cccc(-c2cc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)on2)c1 91643715 RCYHWOKQWKOZHE-ZDUSSCGKSA-N 358.354 0.955 0 50 FCAA O=C(O)[C@@H]1CC2(CCN(C(=O)CC3CCS(=O)(=O)CC3)CC2)CN1 91691226 RZFTYKOOYHQJCQ-ZDUSSCGKSA-N 358.460 0.257 0 50 FCAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1cccnc1)C2 91943808 QDZOFMRAVJLBNG-UONOGXRCSA-N 373.438 0.797 0 50 FCAA COc1ccc(-n2ncc([C@@H](C)NC(=O)CN3C(=O)CNC3=O)c2C)cc1 92077226 FUZIGGMFKQWORB-LLVKDONJSA-N 371.397 0.918 0 50 FCAA CNc1nc(CN2CCN(CCOC)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 92077335 MZXWFNPZDCFMOZ-OLZOCXBDSA-N 360.505 0.114 0 50 FCAA Nc1ncc(Br)cc1S(=O)(=O)N[C@H]1CCCn2ncnc21 119302963 LURXASXWUGGPGV-QMMMGPOBSA-N 373.236 0.831 0 50 FCAA CCc1nccn1CC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 212528574 LETJGWYNWOFYHP-KGLIPLIRSA-N 369.491 0.175 0 50 FCAA Cn1ncc(N2CCN(CCC(=O)NCc3cccs3)CC2)cc1=O 244764144 PCEDWNVWVSRKKK-UHFFFAOYSA-N 361.471 0.670 0 50 FCAA C[C@@H]1CN([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1N1CCN(C)CC1 252586081 NIZVIDDHXVZTRJ-KZNAEPCWSA-N 374.533 0.873 0 50 FCAA CCCCNC(=O)C1CCN(C(=O)c2nnn3cc(C)nc(O)c23)CC1 263615119 APKUMFFBAICUDN-UHFFFAOYSA-N 360.418 0.907 0 50 FCAA C[C@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CCS1(=O)=O 330248552 GEJYWEMNSJCHAW-JTQLQIEISA-N 351.384 0.679 0 50 FCAA O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](Oc2cccnc2)C1 363160525 HBPRHEBTHTWNOY-AWEZNQCLSA-N 358.398 0.926 0 50 FCAA CCOc1ccc(S(=O)(=O)Nc2cc(OC)n(C)n2)cc1C(=O)O 392222822 JFYIEYMVDZJJMW-UHFFFAOYSA-N 355.372 1.326 0 50 FCAA Cc1onc(N)c1S(=O)(=O)NC(=O)C1CN(C(=O)C2CCCCC2)C1 408498006 SKLSZUBEXPTXIR-UHFFFAOYSA-N 370.431 0.409 0 50 FCAA COc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)ccc1OCCN 426489326 GAWAXVFWGNECEA-SFHVURJKSA-N 363.414 0.106 0 50 FCAA Cc1nn(CCNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c(C)c1C 584897676 PLDGFCHAJSFPOP-UHFFFAOYSA-N 364.494 0.660 0 50 FCAA CS(=O)(=O)NCCNC(=O)NCc1nc(Cc2cccs2)no1 584900725 BVVMVPJWZLOYRI-UHFFFAOYSA-N 359.433 0.070 0 50 FCAA CCN1CCO[C@@H](CNC(=O)COc2cccnc2)[C@@H]1c1ccnn1C 886066127 FQYNHNJMSOQTNE-WMZOPIPTSA-N 359.430 0.772 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCN(CCc3ccccc3)C(=O)C2)CC1=O 952991470 SEHVGFQQQJARSP-KRWDZBQOSA-N 373.453 0.395 0 50 FCAA CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc(O)n1 1506428162 NOFMEOARBMGWNC-AWEZNQCLSA-N 358.398 0.913 0 50 FCAA CCN(CCN(C)C)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529154301 JYVZDRMCHVOJQF-MSOLQXFVSA-N 360.458 0.923 0 50 FCAA COCCc1nc([C@@H]2CC[C@H](N)C2)n(-c2ccc(S(N)(=O)=O)cc2)n1 1565527889 JGGOWGIEUPAURO-NEPJUHHUSA-N 365.459 0.698 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)C1 1615751329 GMDQHNHBZIGXNZ-XHSDSOJGSA-N 359.426 0.511 0 50 FCAA CCOc1ncccc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704298663 BCQQWHRINHEOEJ-AAEUAGOBSA-N 357.432 0.117 0 50 FCAA CN(C(=O)c1nn(C)c(=O)c2ccccc12)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704341089 PRJULSMHCZFSES-FRRDWIJNSA-N 354.410 0.920 0 50 FCAA COc1c(C)cnc(CN2CCO[C@@]3(CCN(S(C)(=O)=O)C3)C2)c1C 1857676902 ZAHWVCPGZGUWSN-KRWDZBQOSA-N 369.487 0.943 0 50 FCAA O=C(c1cnnn1-c1ccccc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857685975 CMVYAWRLAXTWHY-CRAIPNDOSA-N 355.398 0.371 0 50 FCAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CNS(C)(=O)=O)CC2 1857698309 KXXMOIKVPSFZDH-UHFFFAOYSA-N 362.455 0.564 0 50 FCAA Cc1nc(N2CCOCC2)sc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1 1857717018 UYLHHLRPVOSXCF-LBPRGKRZSA-N 362.459 0.790 0 50 FCAA Cn1nccc1C1=CCN(c2ncnc3c2ncn3C[C@@H](O)CO)CC1 1875269098 FHXXHDDNYWJSNP-CYBMUJFWSA-N 355.402 0.207 0 50 FCAA CN1CCN(Cc2ccc(C(=O)N3C[C@@H]4CCO[C@]4(CO)C3)s2)CC1 1875320745 WVYOHLBILNZIMO-KSSFIOAISA-N 365.499 0.719 0 50 FCAA C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cccc2c1NCC2 1875344787 OUQHARLDRUPATA-CFVMTHIKSA-N 361.442 0.677 0 50 FCAA COc1ccc(CN2C[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)O)CC2=O)cc1 1875345681 FSYYISGKZWDAKI-WCQYABFASA-N 364.354 0.088 0 50 FCAA NC(=O)C1CC2(C1)C[C@H](NC(=O)NCCC(=O)N1CCCC1)CCS2 1875348097 XDVVACXLZKJJCF-UIORMTCPSA-N 368.503 0.828 0 50 FCAA Cc1c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c(=O)n(-c2ccccc2)n1C 1072933 WNZNKUOMIPCVTG-JSGCOSHPSA-N 361.423 0.634 0 50 FCAA CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5148067 AFKDXJDXWFFJEK-ZDUSSCGKSA-N 373.461 0.677 0 50 FCAA O=C1O[C@@H]2CN(S(=O)(=O)N3CCCC3)C[C@@H]2N1Cc1ccccn1 12448579 LXFIAWMZOVWFPQ-UONOGXRCSA-N 352.416 0.427 0 50 FCAA COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCO)C2=O)cc1OC 12603787 ABZGAZYCMWIMJE-JYRVWZFOSA-N 366.395 0.849 0 50 FCAA C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc4ccccc34)CCN2C1=O 14542172 LWBUXIQDUQXVQH-JLZZUVOBSA-N 367.405 0.372 0 50 FCAA O=C1CN(CC(=O)N2CCC(N3CCc4ccccc4C3)CC2)C(=O)N1 19852290 GEEMEKLNUNENQE-UHFFFAOYSA-N 356.426 0.588 0 50 FCAA CCCn1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20682974 OAZRBLOAVHMNCW-UHFFFAOYSA-N 374.445 0.200 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](Cn2cc(CN3CCSCC3)nn2)C1 23338925 YCYHQCXPCTZXHC-ZDUSSCGKSA-N 359.521 0.499 0 50 FCAA Cc1cc(CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)on1 67587293 FNNASNWVHWZVHE-UHFFFAOYSA-N 357.413 0.867 0 50 FCAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCn1ccnc1)CO2 67649114 OXWNJAZTWFZZSQ-HNNXBMFYSA-N 371.441 0.989 0 50 FCAA COC(=O)C[C@H]1C(=O)NCCN1Cc1cc2ccc(OC)cc2[nH]c1=O 67821586 GDYWNHSXPFAGNQ-HNNXBMFYSA-N 359.382 0.400 0 50 FCAA COC(=O)c1ccc(N2CCN(C(=O)Cn3cccnc3=O)CC2)cc1 77302008 NLZVXXCLESGTTO-UHFFFAOYSA-N 356.382 0.379 0 50 FCAA CN(Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)CC(C)(C)C 77385153 XRMPASVWNKYFHX-CQSZACIVSA-N 351.447 0.998 0 50 FCAA Cc1ccc(OCC(=O)N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cc1 77440321 RIONXFHSFNELTM-NVXWUHKLSA-N 370.409 0.556 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccc2c(c1)OCO2 92061769 OPSCUKPFCKREAC-UONOGXRCSA-N 362.382 0.374 0 50 FCAA O=C(Nc1cccn2cnnc12)c1ccc(S(=O)(=O)NCCO)cc1 92106859 FXGGDVNRJXEPIM-UHFFFAOYSA-N 361.383 0.252 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cscn2)CN1Cc1cccnc1N 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COc1cc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)nc(N)n1 230543894 ZCEMEOKWNMYYMX-INIZCTEOSA-N 370.417 0.489 0 50 FCAA Cc1nc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc([C@H]2C[C@@H](O)C2)n1 252551060 TWSVFBKXXLWCJR-BETUJISGSA-N 359.430 0.886 0 50 FCAA O=C(O)c1ccn(-c2cccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)n1 262446055 UENOZASOQVNPKY-GFCCVEGCSA-N 363.395 0.621 0 50 FCAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)C(=O)O)cc1 262524765 NGIXSSCIBJDGOI-ZJUUUORDSA-N 371.415 0.149 0 50 FCAA CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCO[C@H](C(=O)O)C1 262924613 VXVFCWDPZDFCQC-ZDUSSCGKSA-N 356.400 0.764 0 50 FCAA CCN(C)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 275067530 YHNGXRCSYCKRGU-UHFFFAOYSA-N 369.443 0.152 0 50 FCAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3csc(C)n3)C[C@H]2O)no1 299775446 JVKCYFDILAEFPB-TZMCWYRMSA-N 364.427 0.682 0 50 FCAA CCN1CCC[C@@H](CN2CCn3nc(CNS(C)(=O)=O)cc3C2)C1 299793098 IZFRWKSAMVPPSW-CQSZACIVSA-N 355.508 0.480 0 50 FCAA Cn1cnnc1[C@H]1CCCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 363788386 KZHVQMVMBRANSB-ZDUSSCGKSA-N 371.397 0.680 0 50 FCAA Cc1ccc2c(c1)CC[C@@H](C(=O)NCC1(O)CCS(=O)(=O)CC1)O2 373530304 PJICDRJIMFDZSF-HNNXBMFYSA-N 353.440 0.745 0 50 FCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)Cn1cnc3ccccc3c1=O)CC2 426521168 FMRKCRZBMTVVQO-IYJAJMOOSA-N 357.410 0.927 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc3ccccc3cn2)[C@H](O)C1 426535614 DSSZNTKQXLAFGN-NVXWUHKLSA-N 356.426 0.488 0 50 FCAA Cn1cc(CN2CCN(C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cn1 730061923 NDXWEZYFAXIZIE-UHFFFAOYSA-N 367.417 0.746 0 50 FCAA O=C(Cc1ccc(F)c(F)c1)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886096697 JPZHMBCFJQCPPD-KRWDZBQOSA-N 354.353 0.895 0 50 FCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCCN(c3ncccn3)CC2)C1 1506397715 WDCYBIRQHVBQLL-OAHLLOKOSA-N 369.491 0.592 0 50 FCAA O=C(CN1CCOc2ccccc2C1)NCc1nc(-c2cnccn2)n[nH]1 1506403372 YCHLBIQBYIRJMM-UHFFFAOYSA-N 365.397 0.773 0 50 FCAA Cc1cc(=O)cc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCCC3)CC2)[nH]1 1529189977 CFWCBBVORUSULR-OAHLLOKOSA-N 360.458 0.842 0 50 FCAA CC(C)CS(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565529092 DDAVNAPZSBDUFR-GJZGRUSLSA-N 356.444 0.897 0 50 FCAA Cc1ccccc1S(=O)(=O)N1C[C@H]2COC[C@H](CN2CC(=O)O)C1 1704313623 KDWXXWXHEIFGDV-KGLIPLIRSA-N 354.428 0.401 0 50 FCAA Cn1ccnc1[C@]1(CNC(=O)c2cc3c(F)cccc3[nH]2)NC(=O)NC1=O 1775985520 GPJGPIQWRQDMPY-KRWDZBQOSA-N 370.344 0.505 0 50 FCAA O=S1(=O)CC[C@@H](CCS(=O)(=O)N2CCN(c3ccccc3)CC2)C1 1857684108 ZIGZBWQMDFMCQX-HNNXBMFYSA-N 372.512 0.963 0 50 FCAA CCN(CCN(C)C)C(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 1857713021 SEXROQOZPDMEDG-NWANDNLSSA-N 351.451 0.079 0 50 FCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3c[nH]c(=N)nc3-c3ccccc3)C[C@@H]21 1857729321 WYDCHARTSFJZDU-GJZGRUSLSA-N 367.409 0.628 0 50 FCAA O=C(CS(=O)(=O)c1ccccc1F)N1CC(=O)N2CCCC[C@H]2C1 1875301653 OJRRAIZHHVRZQE-LBPRGKRZSA-N 354.403 0.823 0 50 FCAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NC[C@@H]3CCCN3)nc12 1875350446 NIFYELJQRZKXPG-JTQLQIEISA-N 354.370 0.570 0 50 FCAA Cn1c(N2CC[C@@H](Nc3ncc4cccnc4n3)C2)cc(=O)n(C)c1=O 1875399079 OCLVVUKSFCWJOK-GFCCVEGCSA-N 353.386 0.113 0 50 FCAA CNc1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 2857390 VGWXXBDOZSDPKM-UHFFFAOYSA-N 373.417 0.950 0 50 FCAA NS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1 4387439 BZOKHRQCHXEJIR-UHFFFAOYSA-N 354.453 0.996 0 50 FCAA NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 4865898 LGXQFBXHRUMFMZ-UHFFFAOYSA-N 353.444 0.797 0 50 FCAA Cc1cccc(CN2CCN(C(=O)c3cn(CCN)nn3)[C@H](C)C2=O)c1 55401110 UGYLLMHGOPEEJS-CQSZACIVSA-N 356.430 0.418 0 50 FCAA COCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 67604604 IJMXQIHZTITRNY-UHFFFAOYSA-N 355.460 0.140 0 50 FCAA C[C@H](C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1)N(C)C 67909621 PARHEMMUYCZURA-CYBMUJFWSA-N 356.430 0.500 0 50 FCAA Nc1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71762271 PECGNYSQIHUXTB-OAHLLOKOSA-N 374.489 0.598 0 50 FCAA Cc1cc(N2CCN(Cc3cc4n(n3)CCCNC4)CC2)n2ncnc2n1 72157935 YJUIBBRFCTZEIK-UHFFFAOYSA-N 367.461 0.445 0 50 FCAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CNS(C)(=O)=O)C1 72172692 FDTXDDQTPGHRST-MRXNPFEDSA-N 353.488 0.701 0 50 FCAA CN(C)Cc1nnc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1C 72420446 PPIZIJPCGTVCDB-LBPRGKRZSA-N 367.479 0.179 0 50 FCAA Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c(=O)n1C 77285277 GPUZSSFBJSAJAD-IBGZPJMESA-N 361.442 0.531 0 50 FCAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)C2)[C@@H]3C1=O 77302121 OBFMYNXCPFIINW-AMVTXUCVSA-N 361.442 0.163 0 50 FCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C[C@@H]1CCNC1)CC2 77407418 BCVRNELOALVYQJ-CQSZACIVSA-N 360.506 0.471 0 50 FCAA CN1CCC(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)(c2ccccc2)CC1 91452646 CXFLNZVCEURKOT-QGZVFWFLSA-N 372.513 0.964 0 50 FCAA O=C(CCN1Cc2ccccc2C1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91504217 KAKAUSAOZVIMBI-WOJBJXKFSA-N 373.497 0.791 0 50 FCAA Cn1c(Cn2cccn2)nnc1C1CCN(CC(=O)N2CCOCC2)CC1 91643773 SWYXGPSLGNDIOF-UHFFFAOYSA-N 373.461 0.098 0 50 FCAA COCCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 95361461 FEYCOJZMJUTHSY-HNNXBMFYSA-N 367.471 0.532 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)CN1C(=O)Cn1cnc(C)c1C 96131509 LRUPEXRUNZYEGZ-CVEARBPZSA-N 363.462 0.474 0 50 FCAA NC(=O)Cn1ccnc1C1CCN(S(=O)(=O)N2CCCCCC2)CC1 96140557 XKQMLUXQILZZBH-UHFFFAOYSA-N 369.491 0.669 0 50 FCAA Cc1nn(C(C)C)c(C)c1NC(=O)N(CCO)[C@@H]1CS(=O)(=O)C[C@H]1O 97259262 GRQJBHHLVGXYSG-CHWSQXEVSA-N 374.463 0.065 0 50 FCAA Cc1cc2nc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc(C)n2n1 97360277 ASGFHESDZASBKF-UHFFFAOYSA-N 351.432 0.500 0 50 FCAA CN1CCN(c2ncccc2F)C[C@]12CCC(=O)N(CC(=O)O)CC2 107681361 BDSGKSQWOCRANW-QGZVFWFLSA-N 350.394 0.808 0 50 FCAA COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1c1ccsc1 170601145 PRCYHOUAXZQTDQ-JHJVBQTASA-N 357.453 0.898 0 50 FCAA CS(=O)(=O)[C@@H]1CCCCN(C(=O)CNC(=O)Cc2cccc(F)c2)C1 170614986 BGMCBHZRDIXDOR-OAHLLOKOSA-N 370.446 0.910 0 50 FCAA O=C(N[C@H]1CCNC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 215439208 IRIZCLFFPMTJQI-HNNXBMFYSA-N 360.439 0.652 0 50 FCAA Cc1ccc(CN2CCC(CNC(=O)[C@H]3CCC(=O)NC(=O)N3)CC2)o1 215982864 XDUMZIOBEHLPOB-OAHLLOKOSA-N 362.430 0.904 0 50 FCAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CCn2nnc3ccccc32)C1 219127719 JKNZAPZOLHUWKF-TXEJJXNPSA-N 355.402 0.505 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3CCn4nc(CO)cc4C3)CC2)c1 220102180 UYPCHLWEWZYEPR-UHFFFAOYSA-N 369.469 0.848 0 50 FCAA O=C1CN(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)C(=O)N1 222957207 FAMGCLQCYLVDKG-WFZFXDGQSA-N 368.393 0.715 0 50 FCAA CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)c1ccc(F)c(F)c1 229670072 IPBCGRMBDRYYHW-UONOGXRCSA-N 362.398 0.929 0 50 FCAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 265354377 UPNWLCUHNAAMKR-AAEUAGOBSA-N 373.500 0.653 0 50 FCAA CC(C)C[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O 269567316 MQCQSJLIJAURPS-UONOGXRCSA-N 371.393 0.619 0 50 FCAA Cc1cc(C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)c(C(F)(F)F)o1 276683441 ZVCWFUGLZJNSIE-JTQLQIEISA-N 363.336 0.865 0 50 FCAA O=C(NCCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12)c1ccc(F)cc1 299758949 FVCOAYABXLBHEG-HOTGVXAUSA-N 373.388 0.910 0 50 FCAA COc1cccc(C)c1NC(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 299768913 RBHXIIVHQGXVTD-LBPRGKRZSA-N 357.432 0.786 0 50 FCAA Cc1nc2c(c(=O)n1C)CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 299775340 DPMRKXVWWSMXIN-UHFFFAOYSA-N 355.394 0.987 0 50 FCAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)CN2Cc3ccccc3C2)C1 299792095 DWEGGYMUFLYDJB-AWEZNQCLSA-N 351.472 0.790 0 50 FCAA CC(=O)Nc1cccc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1 299797464 OZJLLIUIEUVPRA-CQSZACIVSA-N 370.431 0.427 0 50 FCAA O=C(NCC1CCN(C2CC2)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 333691586 JELATIKJCKMPRL-QGZVFWFLSA-N 364.490 0.894 0 50 FCAA CN1CCN(C(=O)CC2CCN(c3ncnc4c3CN(C)CC4)CC2)CC1 373960836 ZGXTZJDBHCUIQH-UHFFFAOYSA-N 372.517 0.845 0 50 FCAA CC(C)c1noc([C@H]2CCCN(C(=O)NCc3noc(C(N)=O)n3)C2)n1 584901243 XQDMRDAVPLJVMM-VIFPVBQESA-N 363.378 0.764 0 50 FCAA CC(=O)NCc1cc(O[C@@H]2CCN(CC(=O)N3CCOCC3)C2)ccn1 888102537 QAJUGWXRFIVDNB-QGZVFWFLSA-N 362.430 0.030 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(CCCN(C)C)CC2)C1 1506399912 KRPYKHWDKSGQFV-INIZCTEOSA-N 362.540 0.159 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CN(Cc3cccc4nonc34)C[C@]2(C(=O)O)C1 1565527539 AKUBSXMBOBWQIG-NHYWBVRUSA-N 366.399 0.001 0 50 FCAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2ccnc(C)n2)CC1 1772811287 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CCC(CC)C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12 6397102 WHTOPMSWCVEVDT-XHDPSFHLSA-N 370.427 0.724 0 50 FCAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCN(c2ccccc2)C(=O)C1 11842750 CKQSSUFDJITZGL-HNNXBMFYSA-N 355.398 0.946 0 50 FCAA Cn1c(=O)c2[nH]c(N3CCN(Cc4ccccc4)CC3)nc2n(C)c1=O 54263438 MNSJEWPYCPUTHM-UHFFFAOYSA-N 354.414 0.283 0 50 FCAA CN1CCC2(CC1)CN(C(=O)c1ccccc1-c1nnn[nH]1)CCN2C 67896072 RXXCNQWMTAGUOO-UHFFFAOYSA-N 355.446 0.719 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NC1(CO)CCCC1 72162695 YEHAZJSMZJCQGO-INIZCTEOSA-N 363.433 0.938 0 50 FCAA O=C(c1cccnc1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72428477 XHYVNPKZYHNQIT-SJORKVTESA-N 372.450 0.600 0 50 FCAA CN(CCC(C)(C)O)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72478685 YLOYFXRQRLBYMH-GFCCVEGCSA-N 356.492 0.944 0 50 FCAA CS(=O)(=O)c1ccc(N2CCN(C[C@@]3(O)CCNC3)CC2)c(F)c1 77375261 YEGAMKYWPKMGEG-MRXNPFEDSA-N 357.451 0.076 0 50 FCAA O=C(c1ccc(S(=O)(=O)NCc2ccon2)cc1)N1CCNCC1 91876442 LELLAHPGPYIHEG-UHFFFAOYSA-N 350.400 0.199 0 50 FCAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(c2cc(N)nc(N)n2)C1 95373203 QNCUPMQPCVGGLP-LLVKDONJSA-N 354.422 0.398 0 50 FCAA Cn1ncc(N2CCO[C@@H](CCn3cc(-c4nccs4)nn3)C2)cc1=O 95374440 MBEMDTZBSVDLFP-ZDUSSCGKSA-N 373.442 0.791 0 50 FCAA COC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 97813685 VFQROCXZZPOLNH-LSDHHAIUSA-N 368.455 0.693 0 50 FCAA COc1ccc([C@H](O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 222855044 WQOWTQCKCUJVCS-INIZCTEOSA-N 370.409 0.571 0 50 FCAA COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C(=O)O 299748363 HCPWOCPDIKPUBJ-UHFFFAOYSA-N 370.427 0.681 0 50 FCAA CN(C)S(=O)(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 365690836 WHRMYHFUSYFNRQ-UHFFFAOYSA-N 355.460 0.544 0 50 FCAA CCc1nc(CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)no1 426389244 JIAMGCVNFJUDPN-UHFFFAOYSA-N 351.407 0.412 0 50 FCAA CN1CCCNC(=O)C12CCN(C(=O)NCc1cnc3ccccn13)CC2 426727484 MGDSAKPEFZESDD-UHFFFAOYSA-N 370.457 0.830 0 50 FCAA CCc1cccc(OCCN(C)C(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)c1 584898556 BUCLZLUUMNJUSW-ZBFHGGJFSA-N 374.441 0.369 0 50 FCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)CN2CCCC2=O)cc1 1565510110 ZZGZZGMYCILDNB-GJZGRUSLSA-N 361.398 0.060 0 50 FCAA Nc1nc(O)cc(CC(=O)N2C[C@H]3CCN(C(=O)C4CCCCC4)[C@H]3C2)n1 1565526834 GLYOLMHPGRIDRU-HIFRSBDPSA-N 373.457 0.947 0 50 FCAA CS(=O)(=O)N1CC[C@@]2(C1)Cn1c(nnc1Cc1ccccc1F)CO2 1772809284 RNMJJWCSTZXLSW-MRXNPFEDSA-N 366.418 0.942 0 50 FCAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2ccccn2)C[C@H]1O)c1ccncc1 1857736327 PAJPYMGENSZKTL-USXIJHARSA-N 354.410 0.705 0 50 FCAA COC[C@H]1CCCN1C(=O)[C@@H](C)n1cc(Cn2ccc(C(=O)O)n2)nn1 1875355444 KQIFTEDNTZWLMI-DGCLKSJQSA-N 362.390 0.420 0 50 FCAA CCCO[C@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@@H]1NC(=O)c1cn[nH]c1 2100539694 URWAQVZLIHGGMP-BPUTZDHNSA-N 364.446 0.962 0 50 FCAA CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)CC1 2325879729 FQZFJUQFAJYXSJ-LJQANCHMSA-N 357.410 0.675 0 50 FCAA CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606934 DTNLXHCHPGNLLJ-ZDUSSCGKSA-N 357.501 0.923 0 50 FCAA O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)CCn1cnnn1)C2 65525915 YPKMXTSSKJYWRR-UHFFFAOYSA-N 366.385 0.554 0 50 FCAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3nccn3C)CC2)C1 67739797 OMUVHOFRJQLGOI-INIZCTEOSA-N 363.506 0.859 0 50 FCAA CC(=O)N[C@H](CO)C(=O)NCc1cccnc1N1CCc2ccccc2C1 67851875 PDFNKDLCJIFFMU-GOSISDBHSA-N 368.437 0.758 0 50 FCAA CN1C(=O)C2(CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c2ccccc21 72161799 JDVREVXQPPRGJH-HNNXBMFYSA-N 353.426 0.816 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3CCN(Cc4noc(C)n4)CC3)cnc21 77407157 ZIVDFZWMMCQJIQ-UHFFFAOYSA-N 370.417 0.683 0 50 FCAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccc(CO)o1)CC2 91468950 RWCMZGYZIKCFAJ-ZDUSSCGKSA-N 350.415 0.998 0 50 FCAA Cn1cnnc1SCC(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91636926 OTLIJTMDSWOXAJ-ZIAGYGMSSA-N 353.492 0.460 0 50 FCAA O=C(CCc1cc2n(n1)CCN(S(=O)(=O)C1CC1)C2)N1CCCC1 92066272 BEIPCPSAZYKUIX-UHFFFAOYSA-N 352.460 0.746 0 50 FCAA CN1CC(=O)N2C[C@H](NC(=O)Nc3ccc(-c4cn[nH]c4)cc3)C[C@H]2C1=O 96137705 AQZAUFVZIOCZBM-CABCVRRESA-N 368.397 0.640 0 50 FCAA CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)C1=O 96138026 LOYODPZNKNQJNC-BFUOFWGJSA-N 373.409 0.314 0 50 FCAA CC(C)n1cnnc1CN1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 97413254 WVWPMJXZVCRETA-KSSFIOAISA-N 363.462 0.856 0 50 FCAA COc1cccc(-n2cc([C@H](C)NC(=O)c3cn(C)c(=O)[nH]c3=O)cn2)c1 219270735 SXLCEPPUCZCFSS-NSHDSACASA-N 369.381 0.759 0 50 FCAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)NCc1c[nH]c(=O)[nH]c1=O 221217012 YJCCPHNYTJSACY-GFCCVEGCSA-N 357.288 1.000 0 50 FCAA CCN1CCNC(=O)[C@H]1CC(=O)NC1CCN(Cc2ccncc2)CC1 244884080 YEVPCJIRWOBPJQ-QGZVFWFLSA-N 359.474 0.373 0 50 FCAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 247814573 AKZRKHMMVSFVAR-ZFWWWQNUSA-N 367.471 0.517 0 50 FCAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 264248537 ZVXSITNYHRBUID-KGLIPLIRSA-N 363.414 0.638 0 50 FCAA Cn1cc(N2CC[C@@H](N3CCC[C@H](c4cc(C(N)=O)[nH]n4)C3)C2=O)cn1 266221969 RRQINMYCRYVWOD-XHDPSFHLSA-N 357.418 0.227 0 50 FCAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 272442461 MSDVCLGGZUGNSF-APHBMKBZSA-N 359.426 0.179 0 50 FCAA Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)c1=O 275769895 RGAMZHUBQXUUGI-GOEBONIOSA-N 354.410 0.869 0 50 FCAA Cc1cccc(C(=O)N2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)n1 328630419 JJLVDPWXBRWSDU-AWEZNQCLSA-N 357.414 0.461 0 50 FCAA O=S1(=O)CCC[C@@H](CS(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)C1 333415877 ICIZNCPNCKHZQT-CHWSQXEVSA-N 362.477 0.070 0 50 FCAA Cn1ccnc1[C@@H]1CCCN1CC(=O)N1CCN(c2cnccn2)CC1 365870686 HHOCFSRSYRHMOE-HNNXBMFYSA-N 355.446 0.696 0 50 FCAA CO[C@H]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(c2ccncn2)C1 864338563 JBGGVDWKFZYAQM-KBPBESRZSA-N 357.418 0.502 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 886095303 RCQDCQWFZLCTHU-SFHVURJKSA-N 358.398 0.683 0 50 FCAA O=C1CO[C@H](C(=O)NCc2noc(C3CCC3)n2)[C@@H](c2cccnc2)N1 1529089577 GEFAZSPFGFGZRL-CABCVRRESA-N 357.370 0.605 0 50 FCAA O=C(N[C@H]1CNC[C@@H]1O)c1cccc(-c2ncc(F)c(N3CCCC3)n2)c1 1565509963 KODBIZVJWQXWJG-HOTGVXAUSA-N 371.416 0.945 0 50 FCAA COc1ccc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c(C)c1 1613882111 TWRNFJOUVDLPIP-DOMZBBRYSA-N 356.444 0.328 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc2cc[nH]c12 1704298037 CJAKKORMSGGSPW-GXTWGEPZSA-N 351.428 0.804 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cn(-c3ccccc3)nn1)C2 1704326415 WHJJGTAXVDDFCG-ZFWWWQNUSA-N 371.397 0.125 0 50 FCAA COc1cccc(F)c1C(=O)N1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1704357703 WQVOKHJFEQTEQX-JQWIXIFHSA-N 360.407 0.159 0 50 FCAA CS(=O)(=O)N(CCc1cccc(F)c1)Cc1nnc2n1CCOCC2 1775961524 GOPICRKKVCXRND-UHFFFAOYSA-N 368.434 0.994 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(O)nn2C)N1Cc1ccccc1 1875396899 WUDOPRAHXIPPMR-KUHUBIRLSA-N 374.441 0.508 0 50 FCAA N=c1nc(C2CC2)[nH]c(=N[C@H]2CCN(C(=O)C3(O)CC3)CC23CCC3)[nH]1 1875407679 FWDNGQUQUYWNCS-LBPRGKRZSA-N 358.446 0.291 0 50 FCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)CC1 41319848 GSDRTDGAKBATFH-UHFFFAOYSA-N 374.466 0.948 0 50 FCAA Cc1c(C(=O)N2CCC(C(N)=O)CC2)cccc1N(C)S(C)(=O)=O 65362523 CBKMABHDTMJYHK-UHFFFAOYSA-N 353.444 0.728 0 50 FCAA CN1CCN(c2ncccc2CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 66344327 FAZXSMKMIHKXNQ-CQSZACIVSA-N 366.487 0.274 0 50 FCAA CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)c3ccc(F)c(C)c3)nn2)CN1 67489902 FFKVTHGIRTWJQH-ZFWWWQNUSA-N 360.393 0.305 0 50 FCAA COc1ccccc1CN1C[C@H](C(=O)N2CCC(O)(CO)CC2)CC1=O 67867570 CEEMRDYTVJSVDF-OAHLLOKOSA-N 362.426 0.390 0 50 FCAA COc1ccc(-c2cn3cc(C(=O)N4CC[C@@H](O)C4)nc3c(=O)n2C)cc1 72474188 VTXXFFOGEGVIER-CYBMUJFWSA-N 368.393 0.915 0 50 FCAA CCCO[C@H]1CCCN(C(=O)c2cn(CCN3CCNCC3)nn2)C1 77354005 XVDBQUHPNBCWTF-HNNXBMFYSA-N 350.467 0.215 0 50 FCAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CC(O)C3)[C@@H]4C2=O)c1 77469733 IZUVGIVQXYKIQC-XLSPSMHOSA-N 370.405 0.180 0 50 FCAA O=C(NCc1c(F)cccc1Cl)c1cn(CCN2CCNCC2)nn1 77488054 OGDZKACOWRSCBN-UHFFFAOYSA-N 366.828 0.906 0 50 FCAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CN3CCOCC3)CC2)n1 91468874 WFMHNDNYYVFSRM-UHFFFAOYSA-N 373.379 0.785 0 50 FCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(S(N)(=O)=O)cc2)on1 95357494 SXLKJMYCIXDKMV-DOMZBBRYSA-N 365.411 0.618 0 50 FCAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)COc1cccc(-n3cnnn3)c1)C2 95383448 BUBOVPGWCVMMRE-GXTWGEPZSA-N 356.386 0.120 0 50 FCAA CN(CCC(=O)N1CCN(c2cccnc2)CC1)[C@H]1CCS(=O)(=O)C1 219253318 AFFDLAXWSIVIPT-INIZCTEOSA-N 366.487 0.239 0 50 FCAA O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1C[C@@H](O)CN1 238007638 QPQRDEHHEJUWMG-DAXOMENPSA-N 353.850 0.552 0 50 FCAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(C(=O)O)cc2)c1O 253623699 HUAOSRJYJUGZKD-JTQLQIEISA-N 360.322 0.985 0 50 FCAA biogenic Nc1ccnc(CN2CCC[C@@H](c3[nH]ncc3CN3CCOCC3)C2)n1 275925634 KFSQFWDUKLRHIR-CQSZACIVSA-N 357.462 0.994 0 50 FCAA Cn1cc([C@H]2CN(CC(=O)NCc3ccccc3F)C[C@@H]2C(N)=O)cn1 286768612 NABWRQYTEYCJRQ-CABCVRRESA-N 359.405 0.376 0 50 FCAA CC(=O)N1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 299778642 GWYKLAZPPZQFDU-UHFFFAOYSA-N 354.432 0.729 0 50 FCAA Cn1cc(Br)c(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)n1 332617203 FLGUNAVPCHZHFL-QMMMGPOBSA-N 350.238 0.689 0 50 FCAA CCN(Cc1ccc(C)o1)C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 584901017 LFRXUFQXBDFXMJ-AWEZNQCLSA-N 359.448 0.780 0 50 FCAA Cc1nc(SCC(=O)NC[C@H](c2ccccn2)N2CCOCC2)n[nH]1 670473820 OOQMAGBECKULGD-CQSZACIVSA-N 362.459 0.790 0 50 FCAA Cn1cnnc1C[C@]1(O)CCCN(c2ncnc3c2ncn3C2CC2)C1 886065830 ZKFPWTORHZCNKU-QGZVFWFLSA-N 354.418 0.864 0 50 FCAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cc2n[nH]c3ccccc23)C1 886095290 QXGSCRVYNROVAK-GOSISDBHSA-N 354.414 0.830 0 50 FCAA CCN1C(=O)[C@H]2CN(C(=O)C3(C(=O)O)C(C)(C)C3(C)C)CCN2C1=O 901847300 FQWAWYJXZZHRCH-SNVBAGLBSA-N 351.403 0.618 0 50 FCAA N[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1n1ccnn1 952852669 HIFSGDYLUNKEDC-MSOLQXFVSA-N 354.458 0.901 0 50 FCAA CN1CCCN(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)CC1 952979870 DIMYAOJJKVZJLP-IBGZPJMESA-N 354.458 0.916 0 50 FCAA Cn1c(O)ncc(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1=O 1506403689 VAJQGTNDQXJTQK-INIZCTEOSA-N 366.381 0.321 0 50 FCAA COc1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@@H](O)C2)c2c1CCCC2 1565511788 KDQDNIFLWLHTMG-WFASDCNBSA-N 355.456 0.938 0 50 FCAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1C 1704349928 LMQDIKMYYXZRCK-NVXWUHKLSA-N 371.441 0.945 0 50 FCAA Cc1nnc(N2C[C@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)s1 1857730022 WOENKXIEZKQCCD-GFCCVEGCSA-N 373.442 0.338 0 50 FCAA C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1C(=O)[C@@H]1CC(=O)NC(=O)N1 1875305827 JJINJXGZFFFCDL-NOOOWODRSA-N 366.418 0.441 0 50 FCAA CCOc1cc(/C=c2/sc3nc(=O)c(C)nn3c2=O)ccc1OC(C)=O 637307 AZYHWRCIZLAYCK-RIYZIHGNSA-N 373.390 0.691 0 50 FCAA O=C1[C@H]2CN(Cc3ccc(Cl)s3)CCN2C(=O)[C@@H]2C[C@@H](O)CN12 14743989 LIMCCXZTOZMKSF-ADEWGFFLSA-N 355.847 0.390 0 50 FCAA Cn1ncc(N2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)n[nH]3)C2)cc1=O 23380097 LXBILHZZWAOKGP-VIFPVBQESA-N 370.335 0.779 0 50 FCAA CCCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 72163186 LRODYAIAQHQBCI-INIZCTEOSA-N 351.422 0.747 0 50 FCAA COC[C@H](C)n1c(CCCC(=O)N2CCNC(=O)C2)nc2cccnc21 77378752 WHXYPWVQGTZEIE-ZDUSSCGKSA-N 359.430 0.920 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3CC[C@]4(CC(=O)NC4=O)C3)CC2)c1 82134149 OFEPWYUHJHMCDY-FQEVSTJZSA-N 370.453 0.382 0 50 FCAA Cc1nc2ncccn2c1C(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 91391246 SOWWKCAMQHQRQY-QWHCGFSZSA-N 363.443 0.534 0 50 FCAA Cc1nnnn1CCCN1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91526249 XGKYCKHUUFVIHT-DZGCQCFKSA-N 361.475 0.951 0 50 FCAA CCn1c(C)ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1=O 92038829 UDKZYXFQXXDHQS-UONOGXRCSA-N 367.471 0.673 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2nc(C)cc2C)CN1Cc1c[nH]cn1 96164800 OVAZKOISOOLLRV-HOCLYGCPSA-N 373.461 0.118 0 50 FCAA CC(C)CS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 97480372 AQEYUVSTXWKRTK-HNNXBMFYSA-N 367.471 0.617 0 50 FCAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccnc(NCCc2ccco2)n1 97547412 NMOPVXFLHSQUAL-UONOGXRCSA-N 363.443 0.299 0 50 FCAA CCn1c(C)nnc1SCCNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 97574922 LCENXSVEIKRYIO-JTQLQIEISA-N 357.505 0.825 0 50 FCAA O=C(NCCCN1CCOCC1)C(=O)Nc1nc(C(F)(F)F)cs1 170618520 LOYDNAZFEARDAQ-UHFFFAOYSA-N 366.365 0.939 0 50 FCAA O=C(Cc1ccn[nH]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 173560836 BKPJXEZISADQAU-KRWDZBQOSA-N 353.426 0.902 0 50 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QUEYPZNUURIAJI-MRXNPFEDSA-N 366.483 0.616 0 50 FCAA COCCc1noc(CNC(=O)c2nccnc2C(=O)N2CCCCC2)n1 299796851 OCWZKZCZMXSWPL-UHFFFAOYSA-N 374.401 0.605 0 50 FCAA O=C(NCCc1cnn[nH]1)c1sccc1S(=O)(=O)N1CCCC1 426518795 NHINXERNKORQOV-UHFFFAOYSA-N 355.445 0.623 0 50 FCAA CNS(=O)(=O)CCNC(=O)N1CCC([C@H](O)c2cccs2)CC1 534647999 DUXAQPMRCUMDIB-ZDUSSCGKSA-N 361.489 0.752 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2cnn(C)c2)cc1 670468618 MZMWYWSCGBZPJL-UHFFFAOYSA-N 372.472 0.375 0 50 FCAA CCCS(=O)(=O)Nc1ccccc1C(=O)O[C@H]1CCC(=O)NC1=O 798602793 ZTDPBNSMNCUCFS-LBPRGKRZSA-N 354.384 0.800 0 50 FCAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(Oc4ccccc4)CC3)C2)C1 823813832 WYEUAOOHILPKIB-ZDUSSCGKSA-N 357.410 0.403 0 50 FCAA C[C@@H]1CC[C@H](C(N)=O)CN1c1ncnc2c1ncn2C1CC(CO)(CO)C1 888097825 QANIJBXRVUUNEU-NEPJUHHUSA-N 374.445 0.222 0 50 FCAA CN(C[C@H]1CCCOC1)C(=O)C(=O)N1CCO[C@H](c2ccnn2C)C1 910624008 ZLASHOBOEYUEIW-HIFRSBDPSA-N 350.419 0.205 0 50 FCAA C[C@H](NC(=O)CN1CCOc2ccccc2C1)c1n[nH]c(CC(=O)O)n1 952967122 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CCOC(=O)CON1C(=O)C(C)(C)N(OCC(=O)OCC)C(=O)C1(C)C 865057 UWEPDQIUFLRZAA-UHFFFAOYSA-N 374.390 0.204 0 50 FCAA Cn1c(=O)c2c(nc3n2CCC(=O)N3CCc2ccccc2)n(C)c1=O 6188081 OYOLMLPQOYIRDY-UHFFFAOYSA-N 353.382 0.413 0 50 FCAA O=C(CN1CC(=O)N2CCC[C@H]2C1=O)N1CCC(CCn2cccn2)CC1 23580685 WTJYQEMPNPXGNR-INIZCTEOSA-N 373.457 0.345 0 50 FCAA CN1CC(=O)N2CCN(Cc3nn(C)c4cccc(Cl)c34)C[C@@H]2C1=O 65410617 HZRBQODSGCYFJQ-CQSZACIVSA-N 361.833 0.712 0 50 FCAA CN1CCNC(=O)C12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 67883955 WDFBEDOOHNMPFN-UHFFFAOYSA-N 357.863 0.925 0 50 FCAA O=C(O)c1c(S(=O)(=O)NCCCn2ccnc2)sc2c1CCNC2 67974675 OYKACQLHXVSOJP-UHFFFAOYSA-N 370.456 0.657 0 50 FCAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)CNC(N)=O)CC1 72478271 XRADJBDXVDCSHS-UHFFFAOYSA-N 351.359 0.188 0 50 FCAA CN(CC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1)Cc1ccccn1 91444762 YCXJBOPVMQQABA-FQEVSTJZSA-N 374.485 0.737 0 50 FCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)n1 91625254 FFIIIZRCQRRNIX-GFCCVEGCSA-N 359.361 0.872 0 50 FCAA COCCN1C[C@H](c2ccccc2)[C@@H](NC(=O)CCS(C)(=O)=O)C1 91626371 RVSHLKATPOTKSN-CVEARBPZSA-N 354.472 0.652 0 50 FCAA OC[C@H]1CN(Cc2ccc(-c3nnn[nH]3)cc2)C[C@H]1CN1CCOCC1 91645561 NAGITISRJJWHGY-IAGOWNOFSA-N 358.446 0.239 0 50 FCAA CN1CCN(C[C@@H]2CN(C(=O)Cc3ccc(N(C)C)cc3)C[C@@H]2CO)CC1 91679977 JCHZNWMXHXINMY-RTBURBONSA-N 374.529 0.609 0 50 FCAA Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)c(=O)[nH]1 91906783 FMMMGJTUYHUPDF-UONOGXRCSA-N 361.446 0.534 0 50 FCAA Cc1ccccc1[C@H](C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N(C)C 95378397 WLEQLXDWYKULMW-MRXNPFEDSA-N 368.503 0.548 0 50 FCAA Cn1ccnc1CN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 106030765 JICMNQJIXWVTOL-UHFFFAOYSA-N 366.429 0.418 0 50 FCAA COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCN(c3ccccn3)C1)CC2 151571139 QGAQZGKBXRQSGC-UONOGXRCSA-N 371.445 0.712 0 50 FCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN(CC(=O)NC(C)C)CC1 176881617 HPNUPBMSJYJGNB-UHFFFAOYSA-N 374.445 0.666 0 50 FCAA CN(C)C1=NC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)C(=O)N1 216029578 YPFSBYOVFAOYRT-UHFFFAOYSA-N 364.471 0.472 0 50 FCAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccn2nnnc2c1 219271684 QMWKKFGBHGXALK-OLZOCXBDSA-N 360.399 0.685 0 50 FCAA COC(=O)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1c1ccsc1 221904602 PRCYHOUAXZQTDQ-YNEHKIRRSA-N 357.453 0.898 0 50 FCAA O=C(CCN1CCN(c2nc[nH]n2)CC1)Nc1ccsc1C(=O)O 244872825 WFBZPXUREYKVLV-UHFFFAOYSA-N 350.404 0.715 0 50 FCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cnc3N)C[C@H]2CO)cn1 275260057 HSCQFOQKGGFVBI-JQWIXIFHSA-N 371.850 0.447 0 50 FCAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NC[C@H]2CCCCO2)cn1 275473860 SXOOWCRZBQKWLZ-KGLIPLIRSA-N 356.448 0.470 0 50 FCAA CNC(=O)c1cc(NC(=O)C2CCN(S(N)(=O)=O)CC2)ccc1Cl 299108805 XVDLQCAYUWYBGA-UHFFFAOYSA-N 374.850 0.554 0 50 FCAA Cc1nccn1CCCC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299790425 BDQHZMKGWQGTSL-ZMMAXQRCSA-N 363.458 0.987 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2ccnc3nncn23)CC1 299801226 XOIQKXAFMJWVMV-UHFFFAOYSA-N 368.445 0.756 0 50 FCAA NC(=O)c1cccnc1N1CCCN(S(=O)(=O)N2CCCCC2)CC1 363484558 AQPZEYONVJGMLA-UHFFFAOYSA-N 367.475 0.423 0 50 FCAA CS(=O)(=O)N[C@H]1CN(C(=O)c2onc3c2CCCC3)C[C@@H]1C1CC1 426382635 IRSMFMYHMJKRBH-OCCSQVGLSA-N 353.444 0.953 0 50 FCAA Cc1cc(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)nc(N)n1 426518942 JTJRHRJTYKRFHC-CQSZACIVSA-N 372.477 0.712 0 50 FCAA O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)NS(=O)(=O)Cc1cccnc1 766911101 UZMLXXVTDWYLPC-ZJUUUORDSA-N 365.333 0.485 0 50 FCAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)Cn1nc2ccccn2c1=O 886072138 VOWQURQBGPRZGZ-XJKSGUPXSA-N 356.386 0.184 0 50 FCAA CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC[C@H](N)C2)nn1 887448899 JEBLXPLAZYVJLE-PKOBYXMFSA-N 358.490 0.694 0 50 FCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2noc(C3CCOCC3)n2)C1 888078059 JKZUYIJOVNELPG-QGZVFWFLSA-N 352.435 0.769 0 50 FCAA Cc1noc([C@H]2COCCN2C2CN(C(=O)Cc3cccnc3C)C2)n1 888094855 FTAMOGHLENIXSN-MRXNPFEDSA-N 357.414 0.908 0 50 FCAA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 907842482 WJQRQFAFDLOUFU-CHWSQXEVSA-N 374.484 0.735 0 50 FCAA Cn1cncc1[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1N 952887072 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Cc1cncc(CCC(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)c1 1857527315 FZGCWKAEYWFVTE-OAHLLOKOSA-N 371.441 0.115 0 50 FCAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2(CO)CC2)cn1 1857738611 PUHDCJWTQIGKJJ-IRXDYDNUSA-N 362.474 0.947 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1O 1857739670 ZXFLPQVDXNLUMS-FZMZJTMJSA-N 367.427 0.081 0 50 FCAA CCCn1cnnc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 1875251642 ZMIFHWHMLIBXNK-RRFJBIMHSA-N 372.429 0.269 0 50 FCAA O=C(Cc1ccc(NC(=O)c2c[nH]c3ncnc(O)c23)cc1)NCCO 2325863054 SMFSMCIWTYPSOG-UHFFFAOYSA-N 355.354 0.567 0 50 FCAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)NC4CCC4)cc3C2=O)C(=O)N1 2325887221 YMHAKFSAKLEANS-HNNXBMFYSA-N 370.409 0.799 0 50 FCAA CN(c1ccc(C(=O)NC[C@@H](O)c2cccc(O)n2)cc1)S(C)(=O)=O 2356142412 QVJRCSKOJPCJBR-CQSZACIVSA-N 365.411 0.646 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@]23CCCNC3=O)cc1 2356168824 PBRPRXXFWPUEDH-OAHLLOKOSA-N 372.468 0.523 0 50 FCAA Cn1c(=O)c2c(ncn2CCC(=O)N2CCc3ccccc3C2)n(C)c1=O 4943419 XVLNYJDIJTWXRF-UHFFFAOYSA-N 367.409 0.409 0 50 FCAA Cc1ccc(OC(=O)N2CCN3C(=O)[C@@H]4CSCN4C(=O)[C@H]3C2)cc1 14745345 WWKHHUARFLZXIM-KGLIPLIRSA-N 361.423 0.922 0 50 FCAA COc1ccc(OC)c(N([C@@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)c1 65362433 SFWZGIFKEBXYEL-LBPRGKRZSA-N 372.443 0.717 0 50 FCAA CN1CCN(C(=O)NCCc2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72419962 GACWPOIPZYURNN-CABCVRRESA-N 355.435 0.491 0 50 FCAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(CCC(=O)O)C1 72458436 KEMITPLFPHAQIF-ZDUSSCGKSA-N 351.451 0.426 0 50 FCAA Cc1noc(C)c1C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82099672 AHZFDYMPSWUFMY-UHFFFAOYSA-N 367.431 0.583 0 50 FCAA CC(=O)N1CCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)C[C@H](O)C1 91665818 WWUZHNBBNHCNHF-ZDUSSCGKSA-N 363.443 0.053 0 50 FCAA CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CCCNC3=O)C2)cc1 91769248 GEBOPSJDUCSFMU-KRWDZBQOSA-N 350.440 0.761 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CN1Cc1ccc(OC)cc1 91830086 XKHDVZWDVMQOHL-HOCLYGCPSA-N 371.441 0.927 0 50 FCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC2(CC1)[C@@H](O)C[C@H]2O 92061519 BARUPKNACPZWOY-OKILXGFUSA-N 355.412 0.590 0 50 FCAA NC(=O)Cn1ccnc1C1CCN(c2nnnn2-c2ccccc2)CC1 95502062 FXMYFGSSQKWBAO-UHFFFAOYSA-N 352.402 0.728 0 50 FCAA NC(=O)[C@@H]1CCCN(CCNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)C1 97307112 OCURSMMZTHYQHM-LLVKDONJSA-N 360.389 0.594 0 50 FCAA Cc1c(NC(=O)CN(C)C)cccc1NC(=O)NC[C@]1(O)CCCNC1 97831212 RYRDNRCRZFFECK-SFHVURJKSA-N 363.462 0.731 0 50 FCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)C1 170617801 FOWSMBNYWWQEKA-UHFFFAOYSA-N 354.428 0.808 0 50 FCAA CN(C)[C@@H]1CCN(CC(=O)NCCNC(=O)c2ccccc2Cl)C1 243914683 BJJCTDLRVVFRLB-CYBMUJFWSA-N 352.866 0.822 0 50 FCAA CCOc1ccccc1[C@@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)NC(C)=O 262992802 OOAYHVOJFUYFTP-GDBMZVCRSA-N 364.398 0.965 0 50 FCAA C[S@@](=O)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 266927394 MVWWRYPIEYWAET-LFVRLGFBSA-N 373.500 0.138 0 50 FCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 269000339 YNBIRRGISXIPLC-LBPRGKRZSA-N 353.762 0.795 0 50 FCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(CCN2CCOCC2)cc1 277483227 QOPYWULQBUGJNN-ZWKOTPCHSA-N 361.442 0.482 0 50 FCAA COC(=O)c1cc(NC(=O)N2CCN3CCNC(=O)[C@@H]3C2)ccc1Cl 299755019 BSIINTBRSFQTJJ-ZDUSSCGKSA-N 366.805 0.775 0 50 FCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cccc(CN2CCCCCC2)c1 299767462 GXURAVIVGBTGNE-IAGOWNOFSA-N 366.483 0.950 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC2CCN(Cc3ccccc3)CC2)[C@H](O)C1 299779691 ALAFWITZIKPTJQ-WOJBJXKFSA-N 374.529 0.764 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(CCCCOc2ccccc2)C[C@H]1O 299782841 JMSNJAZSWAYBHJ-IAGOWNOFSA-N 371.503 0.677 0 50 FCAA Cc1oc(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc1S(=O)(=O)N(C)C 331750010 FZMDVEWZCILPEU-NEPJUHHUSA-N 369.443 0.722 0 50 FCAA O=C(NC[C@]1(O)CCNC1)c1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1 426510037 HCVHDYHJNAEXCH-IBGZPJMESA-N 364.409 0.988 0 50 FCAA C[C@@]1(NC(=O)c2cccc(-c3cc(=N)[nH]c(=N)[nH]3)c2)CCS(=O)(=O)C1 534660488 HMLSUFLVXRFWSO-MRXNPFEDSA-N 361.427 0.276 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)CC1=O 952869579 VRDDQOSCWKFSHN-NSHDSACASA-N 365.352 0.105 0 50 FCAA Cc1cc(C(F)(F)F)n2nc(C(=O)N[C@H]3CCO[C@H](CO)[C@H]3O)cc2n1 1857695963 GKJSVWBCZHAYSG-PLMOITTCSA-N 374.319 0.297 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2 1875247117 QVVUNZFFTNNOPL-YJBOKZPZSA-N 372.469 0.723 0 50 FCAA Cn1cc(C[C@@H]2CCN(C(=O)Cn3c(=O)c(=O)[nH]c4ccccc43)C2)cn1 1875261604 DATCPVCGXNEVNU-ZDUSSCGKSA-N 367.409 0.515 0 50 FCAA COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cnc[nH]c3=N)CC2)c1 1875263822 GSDNNNSKCNXOON-UHFFFAOYSA-N 371.397 0.505 0 50 FCAA CCOCC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 1875322582 XKDFAFJEOWKKBD-LSDHHAIUSA-N 363.462 0.779 0 50 FCAA CN(C(=O)c1n[nH]cc1Cl)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 1875362217 WFDDKKZIOJNBBT-GHMZBOCLSA-N 367.837 0.652 0 50 FCAA COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](NC(C)=O)CO[C@H]23)c(Cl)n1 2325865751 ORAYSQPLVIQMAZ-YRRQLQLVSA-N 355.778 0.144 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)C1(Cc3ccccc3F)CNC1)C2 2356150166 OWPVRYRFVUKIHI-LIRRHRJNSA-N 362.401 0.606 0 50 FCAA CCOC(=O)Cn1c(=O)c2c(nc3n(C(C)C)c(C)c(C)n23)n(C)c1=O 4940807 CAMDBQLSKQNTBS-UHFFFAOYSA-N 361.402 0.910 0 50 FCAA O=C1N=C(O)C[C@@H]1N1CCC(C2CCN([C@H]3CC(O)=NC3=O)CC2)CC1 12343592 JNJSUKCVONWQNW-KBPBESRZSA-N 362.430 0.921 0 50 FCAA CCCn1cnnc1CN(C)C(=O)Cn1ncc(N2CCCCC2)cc1=O 20209227 YGXXMHZCLRRHKI-UHFFFAOYSA-N 373.461 0.894 0 50 FCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nnc(C)o3)CC2)C1 71748670 JNPNGBVQMIAAOU-OAHLLOKOSA-N 365.478 0.817 0 50 FCAA NCCn1cc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)nn1 71767814 FGEAIIMDIKVDPT-UHFFFAOYSA-N 365.397 0.186 0 50 FCAA COC(=O)CN1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)[C@@H](C)C1=O 72124239 AAMXDAUMHKLANC-NSHDSACASA-N 374.445 0.871 0 50 FCAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 72164954 UWGBEWUSGUYJDO-JTQLQIEISA-N 359.356 0.258 0 50 FCAA Cc1nc(CC(=O)N2CCC[C@@](O)(CNS(C)(=O)=O)CC2)cs1 72473022 YCUCJZPDKLBPOQ-AWEZNQCLSA-N 361.489 0.287 0 50 FCAA COCCCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O 77440281 NRAWMYRLHNTYMT-GOSISDBHSA-N 362.430 0.651 0 50 FCAA 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354.414 0.164 0 50 FCAA CCOCCn1nc(C)cc1C(=O)N1CCNC[C@H]1C(=O)N1CCCC1 72166144 MXOKEFZVKRIOCD-INIZCTEOSA-N 363.462 0.264 0 50 FCAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)Cn1cccn1 72425611 MKXWTPHBMJDKTK-AWEZNQCLSA-N 360.414 0.587 0 50 FCAA COCCN1C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1=O 72473117 QYANWJSICPEOHI-INIZCTEOSA-N 363.433 0.965 0 50 FCAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CC[C@]2(CC(=O)NC2=O)C1 82121969 JWHJMXWODSMZDK-SFHVURJKSA-N 351.366 0.726 0 50 FCAA CC(C)O[C@H](C)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 91476305 HZNOWYNGOUFKSO-GFCCVEGCSA-N 358.464 0.478 0 50 FCAA NC(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 91626276 PHAZIZDZQWOQNU-LJQANCHMSA-N 373.457 0.524 0 50 FCAA CCNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)cn1 95354231 YKMBLYOWEMZFNG-WCQYABFASA-N 353.448 0.404 0 50 FCAA O=C1NCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)[C@@H]1Cc1c[nH]cn1 95359985 RWWUEYCPQQZNAG-MRXNPFEDSA-N 350.382 0.983 0 50 FCAA Cc1nc(N)nc(N2CCC3(CC2)OCCC[C@H]3O)c1CCC(=O)O 95374219 UYAUHZGRTLWJQR-CYBMUJFWSA-N 350.419 0.895 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)CN1CC1CCC1 96148987 MBGXHJWTCKXLPB-HOTGVXAUSA-N 360.458 0.494 0 50 FCAA Cc1nc2cc(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)ccc2[nH]1 97551308 MHKWHHNSNZSEKI-LBPRGKRZSA-N 352.416 0.262 0 50 FCAA CC(C)N1CCO[C@@H](CN2CCN(S(=O)(=O)c3ccccn3)CC2)C1 132190742 WHSNXIGNKJMSBQ-INIZCTEOSA-N 368.503 0.497 0 50 FCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 189201235 NNOUOEMKKGUHSS-WDEREUQCSA-N 359.839 0.924 0 50 FCAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1Cc1ccccc1OCCO 216499710 BGNJKMAEJVMPOK-HNNXBMFYSA-N 358.398 0.623 0 50 FCAA CCCc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)no1 220252389 HPQAOQGSZURCQZ-OLZOCXBDSA-N 370.475 0.970 0 50 FCAA CCc1ccc(CNC(=O)CN(CCNC(C)=O)[C@H](C)C(=O)O)s1 263379117 WZJYAGIMSYHKHD-LLVKDONJSA-N 355.460 0.838 0 50 FCAA COC(=O)c1cn(C[C@H](O)COc2ccc(OC)cc2)cc2c(=O)[nH]nc1-2 263587056 BMPNJENPRWRUNP-NSHDSACASA-N 373.365 0.911 0 50 FCAA CS(=O)(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc[nH]n2)CC1 286484865 QDEKAXJACRKPMF-AWEZNQCLSA-N 355.464 0.041 0 50 FCAA COCCCCCC(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299776270 MNFBIQDRKHKELT-UHFFFAOYSA-N 358.464 0.481 0 50 FCAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)Cn1cnnc1O)CC2 333098140 DZSFQXSVWZNIAO-GFCCVEGCSA-N 362.459 0.953 0 50 FCAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)N1CCn2cncc2C1 426517518 AJDJPLBRKXVQII-KRWDZBQOSA-N 356.430 0.877 0 50 FCAA Nc1cc(-c2ccc(C(=O)N3CC[C@@]4(O)CCNC[C@H]4C3)cc2)ncn1 426690688 OGVYKYPXOVCBJX-KXBFYZLASA-N 353.426 0.912 0 50 FCAA CCOc1cccc(CN(CC)C(=O)N[C@H]2C[C@H]3C(=O)NCC(=O)N3C2)c1 670436125 UWSXDVPFHILOGZ-HOCLYGCPSA-N 374.441 0.716 0 50 FCAA OCC1(Cn2cnc3c(N4CCOC[C@@H]4CC(F)F)ncnc32)COC1 828694022 FUNYYYXDGJCQMM-NSHDSACASA-N 369.372 0.696 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)N[C@H](CC(=O)O)c2ccccc2F)C1 952866594 CYPGWJLIXBJYCZ-SMDDNHRTSA-N 351.378 0.655 0 50 FCAA CC(=O)N1CC[C@@]2(O)CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C1 1073276683 XTQMULZKNHBWDN-WMZOPIPTSA-N 356.430 0.672 0 50 FCAA O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc2nc(-c3ccccc3)cn2c1 1565525782 CDKATEPTRPWPCN-HOTGVXAUSA-N 371.418 0.889 0 50 FCAA CCn1cc(CC(=O)N[C@H]2C[C@H](Cn3cc(Cl)cn3)C[C@@H]2O)nn1 1857531341 KUFICDWDVNUIGW-BPNCWPANSA-N 352.826 0.646 0 50 FCAA Cn1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(O)nc1=O 1857713091 XQUAOFRJBHWTDS-OFQRWUPVSA-N 370.409 0.430 0 50 FCAA NC(=O)c1cc(N2CCN(CCn3cncn3)CC2)nc2ccccc12 1857714389 SGNXMMCZZCHJBI-UHFFFAOYSA-N 351.414 0.747 0 50 FCAA CN(C)CC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857729072 UEUQQTPJCWSESB-ICSRJNTNSA-N 361.486 0.973 0 50 FCAA C[C@@H](Cn1cc(C2(O)CC2)nn1)NC(=O)c1cc(S(C)(=O)=O)co1 1875407717 GMZLUNOXHYYDDK-VIFPVBQESA-N 354.388 0.075 0 50 FCAA COc1ccc(-n2ccnc2CN2CCO[C@@H](c3nnnn3C)C2)cc1 2100473191 FIJKQEXXYYSOLV-OAHLLOKOSA-N 355.402 0.978 0 50 FCAA CC12CC(C(=O)N3CC[C@@H](NC(=O)CC(F)(F)F)C3)(C1)C1(COC1)O2 2325799309 KGTRPLJNTDSFPV-GWMXKSKGSA-N 362.348 0.994 0 50 FCAA C=CC(=O)N(C)CC(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1 2325884674 URHMKXQZWFMCGE-UHFFFAOYSA-N 351.353 0.894 0 50 FCAA Cn1ncc2c(N)nc(N3CCC[C@]4(CCc5c[nH]c(=N)nc54)C3)nc21 2356159883 UGFSSQYASKYVFY-KRWDZBQOSA-N 351.418 0.632 0 50 FCAA CS(=O)(=O)N(CC(N)=O)c1ccc(I)cc1 1137068 XQWVSPBNVVTNLY-UHFFFAOYSA-N 354.169 0.543 0 50 FCAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccn3)C[C@H]12 14541973 PZDJFDAHEDBXTN-QZTJIDSGSA-N 350.422 0.836 0 50 FCAA CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18285877 FMNDGZLUOKVKKK-QWHCGFSZSA-N 352.412 0.951 0 50 FCAA biogenic CCCOCC(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1 71439751 GDFKQIPMIRXEAH-UHFFFAOYSA-N 370.409 0.847 0 50 FCAA O=C(c1ccncc1)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77301404 DLRIGVAAGRDYPR-SJORKVTESA-N 372.450 0.600 0 50 FCAA Cc1ccc2nc(CNC(=O)c3cn(CCN4CCNCC4)nn3)cn2c1 77425938 DKGLMPGLNPRKRP-UHFFFAOYSA-N 368.445 0.069 0 50 FCAA CNC(=O)c1noc(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)n1 91486873 HCLCLKLGBFRCCI-UHFFFAOYSA-N 354.326 0.110 0 50 FCAA CC(=O)N1CCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)C[C@@H](O)C1 91665819 WWUZHNBBNHCNHF-CYBMUJFWSA-N 363.443 0.053 0 50 FCAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc(=O)n(C)c(=O)n1C)C2 95497750 KKTPCXRYVNAERM-NSHDSACASA-N 359.382 0.074 0 50 FCAA Cn1c(=O)c2c(ncn2CCCNC2=CC(C)(C)CC(=O)C2)n(C)c1=O 100479731 MPZUSPMHXFZRGU-UHFFFAOYSA-N 359.430 0.686 0 50 FCAA Cn1cnnc1[C@H]1CCCN1C(=O)CN1CCN(c2ccccn2)CC1 125884733 CNZAIEZPPNQPCD-OAHLLOKOSA-N 355.446 0.696 0 50 FCAA O=C1[C@H]2COCCN2C(=O)N1[C@H](Cc1ccccc1)CN1CCOCC1 170592556 KYAHDSGFTLTISY-IAGOWNOFSA-N 359.426 0.593 0 50 FCAA CN1CCCNC(=O)C12CCN(Cc1ccc(-c3nn[nH]n3)cc1)CC2 215488702 VKJKBZFMQRHYFA-UHFFFAOYSA-N 355.446 0.653 0 50 FCAA Cn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c2ccccc21 219052864 ZEOHLJCYHCEUAY-MSQAHXEGSA-N 363.439 0.613 0 50 FCAA Cc1cc(N2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)nc(N)n1 223318538 VSSGQFQAAZGMNR-UHFFFAOYSA-N 365.397 0.566 0 50 FCAA C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328629015 HTUTUWBQYIKUKT-CFVMTHIKSA-N 363.462 0.706 0 50 FCAA CS(=O)(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 332665541 YBRLRVIPPUFPSJ-DGCLKSJQSA-N 355.464 0.238 0 50 FCAA CCN1CCN(C[C@H](C)CNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)CC1 333063137 NKRMXYMYIMSRJB-PMPSAXMXSA-N 374.551 0.477 0 50 FCAA C=CC(=O)N(C)CC(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 861586291 PIZMJKNEPJPQTP-UHFFFAOYSA-N 351.428 0.124 0 50 FCAA O=C(C1CCS(=O)(=O)CC1)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 1565509604 RLMWLIDGNQVNSH-GJZGRUSLSA-N 358.504 0.364 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(-c4nnn(C)n4)cc3)C[C@H]2O)on1 1704346921 BGNBNQRENHSLAL-GDBMZVCRSA-N 368.397 0.849 0 50 FCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)C1(CCNCC1)OCC2 1857686934 JYPIHXIQFKECIP-LBPRGKRZSA-N 370.496 0.816 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)c2n[nH]c3c2CCC3)[C@H]1c1cnn(C)c1 1875248127 YLNKGCXFBORWKY-RDJZCZTQSA-N 358.446 0.776 0 50 FCAA CN(C[C@]1(O)CCc2ccccc21)c1ncnc2c1ncn2C[C@H](O)CO 1875269006 POKYUJABJUNUAX-IFXJQAMLSA-N 369.425 0.450 0 50 FCAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccncc1N1CCOCC1 1875400493 BLNQIGOSPRIXCB-QGPMSJSTSA-N 371.441 0.684 0 50 FCAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCO[C@@]4(CCNC4)C3)cn12 2100556794 HTNODERSHSABKA-MAUKXSAKSA-N 359.430 0.623 0 50 FCAA CNC(=O)Cn1ccc(=NC(=O)N(CCN(C)C)Cc2ccccn2)[nH]1 2325769437 ADMHQWMHAKINPO-UHFFFAOYSA-N 359.434 0.042 0 50 FCAA CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc3c(O)nncc3c2)C1 2325875512 UUUSDVGETFEVMK-JTQLQIEISA-N 350.400 0.347 0 50 FCAA CCOc1ccc(N2C[C@H](O)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 640022 VRGUJCUVYYRDDX-NSHDSACASA-N 357.370 0.335 0 50 FCAA CN1CCN(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 20819927 MLXAGODOAOGEER-UHFFFAOYSA-N 355.460 0.374 0 50 FCAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C[C@H](O)CO)CC1=O 39352584 DLGSEFSNASMCDX-ROUUACIJSA-N 350.459 0.725 0 50 FCAA CS(=O)(=O)NCCNC(=O)NC1CCN(c2ccc(F)cc2)CC1 54651551 LPNXVRGKACPGHW-UHFFFAOYSA-N 358.439 0.643 0 50 FCAA CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CCC(=O)N1Cc1ccccc1 71715239 YNZVBWLJYNFJBW-OAHLLOKOSA-N 372.425 0.578 0 50 FCAA O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72174223 SSXARFSFIXMAIH-HNNXBMFYSA-N 354.410 0.379 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 72423932 SMZKJLACHXQDEM-CYBMUJFWSA-N 359.434 0.390 0 50 FCAA CCOC(=O)N1CCC(NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 82039569 RFXHWUWTZYSGJR-CQSZACIVSA-N 363.462 0.817 0 50 FCAA Cn1c(C(=O)N2CCC(OCc3cccnc3)CC2)cc(=O)n(C)c1=O 82087719 AGKWBHRWPJXJTG-UHFFFAOYSA-N 358.398 0.300 0 50 FCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91391115 PACSBDNJHCAGOC-HZPDHXFCSA-N 350.463 0.358 0 50 FCAA O=C(CC[C@H]1NC(=O)NC1=O)NC1CCN(Cc2cccc(O)c2)CC1 91440412 INKVUSXKIWRTPO-OAHLLOKOSA-N 360.414 0.461 0 50 FCAA COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2NC(C)=O)cc1 91586566 XSMJYMOTLHWQHF-GOEBONIOSA-N 356.382 0.523 0 50 FCAA Cc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)no1 91808525 IOUTVDWFHOJFSL-CQSZACIVSA-N 361.446 0.813 0 50 FCAA CC(C)Cc1cc(C(=O)N2CCN(C[C@H](O)CN(C)C)CC2)n(C)n1 91859547 VGMHKRPYOOFZCR-MRXNPFEDSA-N 351.495 0.299 0 50 FCAA CC(C)Cc1noc([C@H]2CCCN(C(=O)CN3C(=O)CCNC3=O)C2)n1 95504536 QHWIRPIXYRVQJL-LBPRGKRZSA-N 363.418 0.916 0 50 FCAA COc1cccc2c1OC[C@]1(C(=O)O)CN(S(=O)(=O)N(C)C)C[C@H]21 95509611 BZGVPANYBSUMHK-IAQYHMDHSA-N 356.400 0.364 0 50 FCAA COCCCn1cnnc1CNC1CCN(c2ncnc3[nH]cnc23)CC1 95529232 IFZHUPKKDKQBCN-UHFFFAOYSA-N 371.449 0.740 0 50 FCAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc(C)cc(C)n3)C[C@]2(C(=O)O)C1 96133833 HONQERFMPIBMMM-BBRMVZONSA-N 368.459 0.262 0 50 FCAA CCc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(=O)[nH]1 97711667 NCKKYGWTLVHCEJ-UHFFFAOYSA-N 360.458 0.883 0 50 FCAA CCCNc1ncc([C@@H]2N[C@](C)(C(=O)OC)[C@@H]3C(=O)N(C)C(=O)[C@H]23)cn1 210272470 HQTAWVVJDIEJTC-UWCDFFNFSA-N 361.402 0.106 0 50 FCAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)nc(=O)[nH]1 216082822 KJFLUIMVPJFTMW-UHFFFAOYSA-N 362.430 0.432 0 50 FCAA CCN1CCN(CC(=O)NC[C@H](c2ccncc2)N2CCOCC2)CC1 216209696 HODRKJFBBWODAN-GOSISDBHSA-N 361.490 0.209 0 50 FCAA CCc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(=O)[nH]1 219513861 NGAKJRCDCXDXCR-CYBMUJFWSA-N 356.430 0.758 0 50 FCAA C[C@@H](C(=O)Nc1nncs1)N1CCN(c2ncccc2C(N)=O)CC1 244678952 IMXKWGYMFQLDJJ-JTQLQIEISA-N 361.431 0.181 0 50 FCAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)nn2)CC1 244884174 YGSRKTGORPHMEO-IIYDPXPESA-N 362.434 0.825 0 50 FCAA O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CC[C@H](N2CCNCC2)C1 262011746 HNRIIBJZKYMLHD-AWEZNQCLSA-N 371.416 0.491 0 50 FCAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 285169921 UFUMTPSQRBYLHA-OWCLPIDISA-N 368.455 0.990 0 50 FCAA CCNC(=O)N1CCC(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 299763557 ORYFOQRCJASQRW-UHFFFAOYSA-N 367.471 0.943 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@H]1O 299780344 PUSULCPOTRFWIA-HZPDHXFCSA-N 352.460 0.499 0 50 FCAA COCCN1CCC[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 299780509 AKFIIVFLZIVDOO-INIZCTEOSA-N 372.473 0.736 0 50 FCAA CN(C[C@H]1CN(C(=O)CCc2ccoc2)CCO1)c1nccn(C)c1=O 328646221 SOBTYNROHREZIL-HNNXBMFYSA-N 360.414 0.670 0 50 FCAA CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H](n3cc(CO)nn3)C2)C1 328771478 JHWOJSHNNPLNKA-UKRRQHHQSA-N 357.480 0.079 0 50 FCAA C[C@H]1CN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC2(CCOCC2)O1 329867962 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Cc1cn(CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)N)nn1 1857704063 BVSAKCCRULHYMC-ZDUSSCGKSA-N 354.418 0.681 0 50 FCAA CC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857708142 HQXZTNLUZNAJGR-UONOGXRCSA-N 363.389 0.834 0 50 FCAA COC(=O)/C=C/CCNC(=O)CCc1nc2nc(C(F)F)cc(=O)n2[nH]1 1875314411 WMJXXKSDWDLEIZ-DUXPYHPUSA-N 369.328 0.523 0 50 FCAA COC(=O)/C=C/C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1875380317 LMPDRGNVJFEZDZ-IHHMQQGQSA-N 358.394 0.746 0 50 FCAA O=S1(=O)CCN(CCCN=c2ncc(OC(F)(F)F)c[nH]2)CC1 2325799420 WXLVTCJDPAGNBT-UHFFFAOYSA-N 354.354 0.330 0 50 FCAA CC(=O)N[C@]12CCOC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 2325849515 RITIXMPCQUECAM-YJBOKZPZSA-N 355.398 0.635 0 50 FCAA CN1N=C(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)CCC1=O 12704079 ZGHJDINJYBMJGJ-HNNXBMFYSA-N 356.426 0.945 0 50 FCAA CN(C)S(=O)(=O)N1CCN(Cc2nc(-c3cccnc3)no2)CC1 45943716 FXRZATXLSHGCJG-UHFFFAOYSA-N 352.420 0.056 0 50 FCAA Cc1ccc(S(=O)(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2N)cc1 65364481 PZIYSKJPUSDMNR-UHFFFAOYSA-N 360.395 0.356 0 50 FCAA CC1=NO[C@H](C(=O)N2CCCn3nc(C(=O)NCCN(C)C)cc3C2)C1 65407133 LGZXJSOWALFMRL-HNNXBMFYSA-N 362.434 0.072 0 50 FCAA Cc1cccc2nc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cn12 67654264 OUKLTCQMZULSLP-GFCCVEGCSA-N 352.416 0.033 0 50 FCAA C[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)N1CCOCC1 67886640 UVWIAKMCMKLKNV-MRXNPFEDSA-N 361.490 0.560 0 50 FCAA CNC(=O)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71747814 YSBPSLAZOIMGKW-MRXNPFEDSA-N 373.501 0.620 0 50 FCAA O=c1[nH]cnc2c1CCN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 72164773 LXEWQXCAARVDLZ-UHFFFAOYSA-N 363.395 0.678 0 50 FCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(N(C)C)nc3C)CC[C@H]21 77297743 AOSIWABRQUJZTB-GOEBONIOSA-N 374.489 0.524 0 50 FCAA CCN1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 91547081 CPQYJDRQZBEMDK-INIZCTEOSA-N 362.478 0.871 0 50 FCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1C[C@H](N)CN1C)CC2 91695541 IIUGLYNCQQSQTP-ZFWWWQNUSA-N 374.489 0.054 0 50 FCAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1cnn3c1CCCC3)CCN2C 92002902 INPJNSIDIDSFNC-IBGZPJMESA-N 359.474 0.988 0 50 FCAA Cn1nc(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)ccc1=O 111124865 WMEDVMBOTIMJEW-INIZCTEOSA-N 356.426 0.454 0 50 FCAA COCCN1CCC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccco2)CC1 111866369 VSUZIQYMWFTNBA-OAHLLOKOSA-N 364.446 0.858 0 50 FCAA NC(=O)C1=NO[C@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)C1 170603670 FVXIBQCSUMEBHN-ZETCQYMHSA-N 367.305 0.494 0 50 FCAA Cn1cc([C@H](NC(=O)c2nc(N)nc3c2CCCC3)[C@H]2C[C@@H](O)C2)cn1 223534599 ZKHBCCFWBUVSMG-IXPVHAAZSA-N 356.430 0.913 0 50 FCAA Cc1nonc1N1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 244723584 MEBYSEREIUTVOS-UHFFFAOYSA-N 370.417 0.714 0 50 FCAA O=C(CN1CCOc2ccccc2C1)N1CCN(CCn2cncn2)CC1 244884385 YLMNGMGDZWBGBQ-UHFFFAOYSA-N 370.457 0.317 0 50 FCAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)C1 263341568 SAXXEYLIGPSKDB-QJPTWQEYSA-N 358.485 0.964 0 50 FCAA Cc1ncc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(C2CC2)n1 328755931 FOTUDWTXFMKKNR-UHFFFAOYSA-N 366.381 0.860 0 50 FCAA CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(C)C2=O)cc1 331095457 LHOYQSVPVBFJRU-HNNXBMFYSA-N 367.471 0.972 0 50 FCAA C[C@@H]1CC(C)(C)[C@@H](CNC(=O)c2cnnn2C)[C@H]1NC(=O)c1cnnn1C 332916777 WVWXVMLKNRGNRP-SUNKGSAMSA-N 374.449 0.154 0 50 FCAA CN(CC1(O)CCOCC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 333015394 CABCIZREQAZZIY-LLVKDONJSA-N 367.368 0.723 0 50 FCAA CCN1CCN(C[C@H](C)CNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)CC1 333063135 NKRMXYMYIMSRJB-OAGGEKHMSA-N 374.551 0.477 0 50 FCAA CC(C)CN(C(=O)CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O)[C@@H]1CCS(=O)(=O)C1 333364306 XVYBIGKBQKJPPN-LVBQRNIJSA-N 370.515 0.359 0 50 FCAA CCn1ncc2cc(C(=O)N3CCN4C(=O)N(C)C(=O)[C@@H]4C3)c(C)nc21 367016866 MRAJBZZTYITQRL-ZDUSSCGKSA-N 356.386 0.478 0 50 FCAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 408474446 XHSKYMJATFCKOO-UKRRQHHQSA-N 367.475 0.138 0 50 FCAA C[C@@H]1NCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 422952461 CLJXAIJBJUICJS-JKSUJKDBSA-N 372.535 0.640 0 50 FCAA CN(C)CCN(C)C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 426443345 NNPLMPVPVTXBOO-BIXGBWIQSA-N 371.529 0.757 0 50 FCAA CCCN1C[C@@H](NC(=O)c2ccccc2N2CCC(=O)NC2=O)CC1=O 822919242 XOLJBHGATHUTEW-LBPRGKRZSA-N 358.398 0.874 0 50 FCAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CCN1CCCC1=O 1294011553 SAGOROLNTZQXIE-ZDUSSCGKSA-N 368.459 0.811 0 50 FCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCCCCC1)c1ncc[nH]1 1772811870 ZWBOCOXPZXYYNE-CHWSQXEVSA-N 368.459 0.392 0 50 FCAA Cc1cc(N)n(CC(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)n1 1857722261 FBRZNDUHMKCGND-OHDICMOHSA-N 356.426 0.369 0 50 FCAA C[C@@H]1CN(C2CC2)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 2100556421 MWYSJSIZQDYGPD-GFCCVEGCSA-N 358.485 0.947 0 50 FCAA Cc1nc2nc(=NC(=O)c3ccc(=O)n(C)c3)[nH]n2c(O)c1CC(C)C 2100556767 HCOQDTQTWNATPF-UHFFFAOYSA-N 356.386 0.710 0 50 FCAA CN1CC[C@H](O)[C@@]2(CCCN(C(=O)COc3ccccc3C(N)=O)C2)C1 2356155349 DAEASZDJXMDATP-LPHOPBHVSA-N 361.442 0.470 0 50 FCAA O=c1c2cc3c(=O)n(-c4ccncc4)c(=O)c3cc2c(=O)n1-c1ccncc1 754773 MGZBZNMCVZTMAP-UHFFFAOYSA-N 370.324 0.681 0 50 FCAA CC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@@H]1Cc2ccccc2O1 11766730 FQUOWJIOBUDENQ-HNNXBMFYSA-N 358.446 0.975 0 50 FCAA CN(C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 65409979 NQWMFGDWFMUAON-OLZOCXBDSA-N 352.412 0.479 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3sccc3C)nn2)CN1 67674546 IHLDSWURQDRQHB-OLZOCXBDSA-N 362.459 0.569 0 50 FCAA CS(=O)(=O)N1CCO[C@H](Cn2cc(CCc3ccccc3)nn2)C1 67935359 KVTMEFQKSFDHII-MRXNPFEDSA-N 350.444 0.724 0 50 FCAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2C1 77407127 XGCYWEDDNYVUHD-CQSZACIVSA-N 374.484 0.462 0 50 FCAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)CN(C)C)CC2 77422044 BPERZRLHPSKTHB-ZDUSSCGKSA-N 369.487 0.182 0 50 FCAA CC(=O)N1CCCn2nc(CNS(=O)(=O)N3CCC(C)CC3)cc2C1 82109897 WPBOHHXMFUSYBV-UHFFFAOYSA-N 369.491 0.702 0 50 FCAA CN1CCN(c2ncnc3c2CCC3)C[C@@]12CCC(=O)N(CCO)CC2 91694499 CDBDFBHULWFBQV-IBGZPJMESA-N 359.474 0.461 0 50 FCAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN(CC(N)=O)C1 91988417 UWVMONJTAVGHSB-LBPRGKRZSA-N 357.414 0.079 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91997553 DOKITWIKIKPJFN-SFHVURJKSA-N 362.430 0.179 0 50 FCAA CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 97958255 QHTIJLSTFOWNOL-UWVGGRQHSA-N 366.171 0.829 0 50 FCAA CCc1nc(CN2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)no1 110002449 FPDPWMNOYAKZRI-UHFFFAOYSA-N 368.401 0.566 0 50 FCAA O=C(NCCN1CCC(O)CC1)[C@]12CNC[C@H]1CN(C1CCCC1)C2 209853278 NYMXXGOYPFKHJP-KXBFYZLASA-N 350.507 0.023 0 50 FCAA O=C(N[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1O)c1cccnc1 216448281 MKXXMAMYBBJQLE-GJZGRUSLSA-N 355.398 0.299 0 50 FCAA Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCN)C1 216957809 CFXKOXSKKXAPED-CABCVRRESA-N 351.472 0.955 0 50 FCAA O=C(COCC(F)(F)C(F)F)N1CCN(c2ncc[nH]c2=O)CC1 221204981 WSGNZGGNSZFDIP-UHFFFAOYSA-N 352.288 0.336 0 50 FCAA CCc1ocnc1C(=O)N1CCn2nc([C@H](O)c3ccnn3C)cc2C1 222971880 GQPANHREAWZLCP-INIZCTEOSA-N 356.386 0.905 0 50 FCAA CN(Cc1cccc(-c2nnn[nH]2)c1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 244788069 QIUDCDRYNZTSTH-HDJSIYSDSA-N 353.434 0.832 0 50 FCAA COc1ccccc1C[C@@H]1CCCN1C(=O)NCCN1C(=O)CNC1=O 265094648 VEMIKOCIIZBPLV-AWEZNQCLSA-N 360.414 0.964 0 50 FCAA CNC(=O)[C@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1c1cnn(C)c1 284958882 XMWAOONTCQYSDL-CABCVRRESA-N 352.402 0.362 0 50 FCAA Cc1cc2c(N3CCN(C(=O)Cn4cccnc4=O)CC3)ncnc2s1 329989767 IJJVMYLEWOGZMF-UHFFFAOYSA-N 370.438 0.905 0 50 FCAA CNS(=O)(=O)c1cc(C(=O)N2C[C@H](F)C[C@H]2C(=N)O)ccc1OC 330570607 NVRGFEVCAGPING-ZJUUUORDSA-N 359.379 0.691 0 50 FCAA CCc1cc(N2CCN(C(=O)NCc3nc(COC)no3)CC2)ncn1 426399054 OTOMDWMCJSPAGL-UHFFFAOYSA-N 361.406 0.600 0 50 FCAA O=C(CCn1nnc2ccccc21)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 426423855 YZBJYWOJYYFXPO-GDBMZVCRSA-N 367.413 0.685 0 50 FCAA Cc1nn(C)c(=O)c(C(=O)NCc2cc(O[C@@H]3CCNC3)ccn2)c1C 818246183 UUZREPGMXQCVDT-OAHLLOKOSA-N 357.414 0.463 0 50 FCAA CO[C@@H]1CN(C(=O)c2cnn(C)c2Br)C[C@H]1c1cnn[nH]1 818519816 BANBQJRRUPMFES-WCBMZHEXSA-N 355.196 0.555 0 50 FCAA O=C(NCCOc1ccccc1Cl)c1cn([C@@H]2COC[C@H]2O)nn1 888093630 LTDZNCOQQQXMOB-CHWSQXEVSA-N 352.778 0.673 0 50 FCAA Cc1n[nH]cc1CN(C)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 952986532 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COC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1 215951346 JLDUGOKQKIOGCY-AWEZNQCLSA-N 368.455 0.693 0 50 FCAA Cn1c(=O)c(=O)[nH]c2cc(CCC(=O)N3CCC(C(=O)O)CC3)ccc21 218416555 OUBZEFDJDUWYCW-UHFFFAOYSA-N 359.382 0.483 0 50 FCAA CCS(=O)(=O)Nc1ccc(C(=O)NCCSc2nnnn2C)cc1 222844006 ZFBSWFOFPDLZAW-UHFFFAOYSA-N 370.460 0.494 0 50 FCAA Cc1nccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)n1 223466749 DFRXBUZMPDYRFB-GDBMZVCRSA-N 356.382 0.850 0 50 FCAA Cc1cc(N2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2)ccn1 223937131 NIAMBAAJLHAMPC-AWEZNQCLSA-N 356.430 0.196 0 50 FCAA Cc1ccc(NC(=O)[C@H]2CNC[C@@H](C(=O)N(C)Cc3noc(C)n3)C2)cn1 248075123 ZJEKZRNTAJCYNR-KGLIPLIRSA-N 372.429 0.904 0 50 FCAA CNC(=O)[C@H](Cc1ccccc1)n1cc(C(=O)OC)c2n[nH]c(=O)c-2c1 263588452 UILJJZDMSFGGRX-AWEZNQCLSA-N 354.366 0.993 0 50 FCAA CNS(=O)(=O)c1cc(/C=C/C(=O)N(C)[C@H]2CCNC2)ccc1OC 269151773 SEUVMBXCXOTTLU-IYNGYCSASA-N 353.444 0.437 0 50 FCAA CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCO)C2CCC2)cc1 275953318 UWGFRTKHULOUHR-UHFFFAOYSA-N 362.473 0.472 0 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ONYKNUOYNGALMX-MELADBBJSA-N 359.430 0.432 0 50 FCAA CN1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@H](c2cncn2C)C1 952889704 KNOIXJBOXIVPCM-HUUCEWRRSA-N 351.414 0.828 0 50 FCAA Cc1cccc(NC(=O)CC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 1506416048 DCUPUQTWDLCINE-AWEZNQCLSA-N 354.428 0.332 0 50 FCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1ccc(OCCO)cc1)C2 1704303901 DLPWXRQDAVKDAD-HOTGVXAUSA-N 350.415 0.275 0 50 FCAA CN1CCCN(CC(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)CC1 1857723553 KTLLPRSKOPYFFL-VURPSTOHSA-N 373.497 0.219 0 50 FCAA CO[C@@H]1C[C@@H](C(=O)NCCc2ncnn2C)CC[C@H]1NC(=O)c1ccc[nH]1 1875240174 KMLDAVGUEDAFDK-GZBFAFLISA-N 374.445 0.416 0 50 FCAA C[C@@H](CNC(=O)CCOC1COC1)NC(=O)[C@H](O)c1cccc(Cl)c1 1875345466 YMHSLHXUEOYXDR-MEDUHNTESA-N 370.833 0.800 0 50 FCAA Cc1nc(C(=O)N(C)Cc2cn(C)nn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404206 ZOFVWPHCQKDWRD-OAHLLOKOSA-N 372.477 0.634 0 50 FCAA O=C1NCCN(C[C@@H]2CC3(CC3)S(=O)(=O)N2)[C@@H]1CC1CCCCC1 2325803831 FHGISQMVQWDNRT-LSDHHAIUSA-N 355.504 0.982 0 50 FCAA CC1=NO[C@H](C(=O)N2CCCN(C(=O)CCc3cnn[nH]3)[C@@H](C)C2)[C@H]1C 2325853506 ROVVPEPYVAZREL-MKBNYLNASA-N 362.434 0.598 0 50 FCAA CC[C@@H](CC(=O)N1CCO[C@H](CNC(=O)Cc2cnccn2)C1)OC 2325860560 LHRVPIYHNSHWMV-LSDHHAIUSA-N 350.419 0.178 0 50 FCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 12021991 MYJIPVFAZNOIMF-MRXNPFEDSA-N 359.474 0.577 0 50 FCAA O=C(c1cc(F)ccc1F)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14749922 YIVJVNVETKLGFM-OLZOCXBDSA-N 367.377 0.533 0 50 FCAA NC(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1 20533765 JTYZCYPVYBLNPR-UHFFFAOYSA-N 362.455 0.696 0 50 FCAA Cc1ccc(N(CC(=O)N[C@@H](C)c2nncn2C)S(C)(=O)=O)cc1 55413333 XQEFOUUDZLUBDH-LBPRGKRZSA-N 351.432 0.767 0 50 FCAA C[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nnc2n1CCNCC2 67725985 HZTNYNSFPPZWFL-GFCCVEGCSA-N 352.402 0.496 0 50 FCAA CCn1c(C2CCN(C(=O)c3cc(C)c4c(O)n[nH]c4n3)CC2)n[nH]c1=O 67954481 HLLZTFRPTCDADF-UHFFFAOYSA-N 371.401 0.896 0 50 FCAA COC[C@@H](Nc1nc(N(C)C)nc2c1CCN(C(C)=O)C2)c1ccnn1C 71738416 NYDASNFBFQHTPH-OAHLLOKOSA-N 373.461 0.980 0 50 FCAA O=C(O)CCc1cc2n(n1)CCCN(C[C@@H]1CCCS(=O)(=O)C1)C2 72447150 JLCBUVOEUMLXBR-ZDUSSCGKSA-N 355.460 0.931 0 50 FCAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ccccn2)[C@H]3C1=O 77387435 WYFMYZUGOHTABO-CLWJZODNSA-N 371.437 0.859 0 50 FCAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCn1ccc(=O)[nH]c1=O 77505090 LOOHWONEOCYVFJ-HNNXBMFYSA-N 356.426 0.912 0 50 FCAA O=C(CN1C(=O)CNC1=O)N1CCN(c2ccccc2Cl)C(=O)C1 82115339 HYTIPLNGVVKXBU-UHFFFAOYSA-N 350.762 0.067 0 50 FCAA N[C@H](C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)C1CC1 91255121 MAFZEIQQJNZSCR-KRWDZBQOSA-N 359.474 0.921 0 50 FCAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 91535498 ZHVCMVDYLLMVEX-GOSISDBHSA-N 363.414 0.666 0 50 FCAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3c(O)cccn3c1=O)C2 91694431 YOIBXFAMEQLEIT-QWHCGFSZSA-N 356.382 0.483 0 50 FCAA CS(=O)(=O)CC[C@H](NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C(=O)O 95367427 DNHVFOAPNGXENO-NSHDSACASA-N 367.383 0.400 0 50 FCAA O=C(CN1C[C@@H]2CC[C@H](CC1=O)N2)N1CCN(c2ccccc2F)CC1 95526896 MROBJYWBVXTOHV-CABCVRRESA-N 360.433 0.827 0 50 FCAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2cc[nH]n2)CC1 96131346 LIZDMQHKEFHGDE-UHFFFAOYSA-N 355.406 0.681 0 50 FCAA O=C(N[C@H]1CCNC1)c1cccc(S(=O)(=O)NCC2CCOCC2)c1 216478207 BIKZEHSYUBRWDO-HNNXBMFYSA-N 367.471 0.483 0 50 FCAA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(OC(F)(F)F)c1 219458616 VXFLWLQALXCTQV-VXGBXAGGSA-N 362.304 0.974 0 50 FCAA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(F)cc12 219929008 HYYXHGYLCLOKMM-ZIAGYGMSSA-N 363.345 0.056 0 50 FCAA CNC(=O)c1cccc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1 220695073 GLJMLICXWHRLSH-CVEARBPZSA-N 368.455 0.909 0 50 FCAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)CCN1CCCO1)C2 222709733 XDQAWVAHKBJYGV-KRWDZBQOSA-N 360.418 0.068 0 50 FCAA O=C(N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)c1nccnc1O 244608511 FEACPECVXMBPBL-GRYCIOLGSA-N 356.386 0.219 0 50 FCAA CCOC(=O)c1sc2ncnc(N3CCC(O)(C(N)=O)CC3)c2c1C 253415473 ZPSHVOCVVNWOGW-UHFFFAOYSA-N 364.427 0.993 0 50 FCAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)OCO2 253470924 IJASDLCDCJOGMW-JTQLQIEISA-N 361.354 0.545 0 50 FCAA Cc1cc(C(=O)NCCCc2nccs2)nc2c1c(=O)n(C)c(=O)n2C 265610237 DZOFKJDDFWPWBE-UHFFFAOYSA-N 373.438 0.760 0 50 FCAA CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)CC1=O 299751012 PDKJAAHKWIMKKF-QLFBSQMISA-N 353.463 0.935 0 50 FCAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(-c2ncon2)cc1 299757003 GIHULYMCTXNGLQ-HNNXBMFYSA-N 357.414 0.952 0 50 FCAA NS(=O)(=O)C[C@H]1CCN(C(=O)C2(c3ccccc3)CCNCC2)C1 299778085 RJDUUCIPNXZEPU-AWEZNQCLSA-N 351.472 0.445 0 50 FCAA O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCOC[C@H]1c1ncon1 329044911 JGCFKSZMZDPPCY-JKSUJKDBSA-N 358.398 0.871 0 50 FCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NC2CCN(c3cccnn3)CC2)CC1=O 365243610 ICPAXCTUVKYYOZ-VHDGCEQUSA-N 358.446 0.754 0 50 FCAA CCn1cc(S(=O)(=O)N2CCN(c3ccccc3OC)C(=O)C2)cn1 426422703 BCGXWJOBSNBVJJ-UHFFFAOYSA-N 364.427 0.949 0 50 FCAA Cc1cccc2nc(CNC(=O)Cc3cc(S(N)(=O)=O)cn3C)cn12 486311352 SQOBWFJRJOCGIL-UHFFFAOYSA-N 361.427 0.488 0 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GBYWFTUAZRVXEM-ZMZPIMSZSA-N 357.414 0.312 0 50 FCAA C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 917409 YRJQNPIOGXMFFB-ZDUSSCGKSA-N 369.425 0.571 0 50 FCAA CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCOC 4384193 TTYLQSBGNIPGLR-ZDUSSCGKSA-N 363.462 0.845 0 50 FCAA COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@]12C(=O)Nc1ccccc12 4776465 GQQWIHSLJKATDQ-IBGZPJMESA-N 367.361 0.668 0 50 FCAA C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C 4975642 KNSXNCFKSZZHEA-UHFFFAOYSA-N 352.339 0.890 0 50 FCAA in-vitro CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 5317701 INHBBLAAKUFQTQ-NHCYSSNCSA-N 359.423 0.761 0 50 FCAA biogenic Cc1ccccc1-n1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C)cn1 12572605 NNZHEOMBLLHGMZ-QGZVFWFLSA-N 355.442 0.959 0 50 FCAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 13597808 MCGNDVWLPMCWNN-ZDUSSCGKSA-N 357.366 0.794 0 50 FCAA CC(C)CN[C@@H]1CCc2c(c(C(=O)NCCN3CCOCC3)nn2C)C1 19642269 IHVCJAWUHRXHSU-OAHLLOKOSA-N 363.506 0.585 0 50 FCAA 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Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2noc(C)n2)cc1 299760518 VIBJOOGKGVWPSE-INIZCTEOSA-N 371.441 0.736 0 50 FCAA CNS(=O)(=O)CCNC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 299801571 ZHPSNDRCPQPBQY-UHFFFAOYSA-N 367.471 0.513 0 50 FCAA Cn1cc(CN(C/C=C/c2ccccc2)[C@H]2CCNC2)c(=O)n(C)c1=O 328628094 GYZUBZVFYUTZCS-YOCVDRLZSA-N 354.454 0.961 0 50 FCAA CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cn(C)cn1)CC2 331566297 JWIZYLACESWDSB-UHFFFAOYSA-N 370.456 0.470 0 50 FCAA COc1ccc(C(=O)N2CCCN([C@H](C)CO)CC2)cc1OCCO 373940976 YUNMIGYFTNBOMY-CQSZACIVSA-N 352.431 0.595 0 50 FCAA O=C(NS(=O)(=O)C[C@@H]1CCCO1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 408489329 RMYWOXLSSOQBSX-UNQZSWDGSA-N 357.350 0.967 0 50 FCAA O=C(NCCc1cn2ccccc2n1)c1cc2ncc(CCO)cn2n1 426548535 PIJYLDDVJLNJOI-UHFFFAOYSA-N 350.382 0.884 0 50 FCAA CN=c1cc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)nc(N)[nH]1 534674487 ANIOTZNXMXQIFX-CYBMUJFWSA-N 354.414 0.527 0 50 FCAA NC(=O)[C@@H]1CCCN(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)C1 584890701 WXSKWCMTITZACD-LLVKDONJSA-N 373.369 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370.519 0.844 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1O 1615950835 NRUUERHBHSSYQO-RISCZKNCSA-N 362.398 0.218 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(F)c1 1704300948 CCASIFGNTHCHAG-AAEUAGOBSA-N 360.407 0.096 0 50 FCAA Cc1ccccc1C(=O)N1CCC(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)CC1 1772701848 AKNAVNIYMXDURM-ROUUACIJSA-N 372.465 0.906 0 50 FCAA CN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]2C1=O 1772815891 BHBWRIBJCOHDHC-HIFRSBDPSA-N 350.440 0.787 0 50 FCAA C[C@@H](C(=O)N1CC[C@H](CCNC(=O)c2ccnnc2)C1)c1cnn(C)c1 1875361769 ATYTVBZYXKGSAX-KGLIPLIRSA-N 356.430 0.982 0 50 FCAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CC1CC(C)(C)C1)C2 1875396023 SVQWIFOVRHRWEF-ZDUSSCGKSA-N 356.488 0.917 0 50 FCAA C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CCC(F)(F)C1 2325782782 FRCPAGPPXAIPNB-NSHDSACASA-N 362.464 0.965 0 50 FCAA Cn1nnc(C[C@@H](NCc2ccccc2OC[C@H]2CCCO2)C(=O)O)n1 2325829891 VMKYVNXGDXXVCL-ZIAGYGMSSA-N 361.402 0.553 0 50 FCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C2 2356134686 XYCOYFDEKAXEDP-YOEHRIQHSA-N 368.455 0.686 0 50 FCAA Cn1nnnc1[C@@H]1CN(C(=O)c2csc(-c3ncccn3)n2)CCO1 2356169695 WFEUXKOYGKCTHH-JTQLQIEISA-N 358.387 0.337 0 50 FCAA CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1 537947 BPFYOAJNDMUVBL-UHFFFAOYSA-N 362.361 0.508 0 50 FCAA biogenic,in-man CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCO 4810101 KWVHKAKJEPGLKA-ZDUSSCGKSA-N 363.462 0.581 0 50 FCAA COC(=O)Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945202 MJGFHUJORURVFM-UHFFFAOYSA-N 359.386 0.746 0 50 FCAA Cc1ccccc1NC(=O)CC(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 55369716 QAOUCLVDZFCEBW-UHFFFAOYSA-N 356.386 0.426 0 50 FCAA CC(=O)N(C)[C@@H]1CCN(C(=O)CSc2nc3nc(C)cc(O)n3n2)C1 55393638 ZSBZRVAZENJIFW-LLVKDONJSA-N 364.431 0.310 0 50 FCAA CN1CCC(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 65362031 UNOIBILVRFEDHC-UHFFFAOYSA-N 369.443 0.392 0 50 FCAA CCCS(=O)(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 65374096 DZHZNRBYZPDZFA-UHFFFAOYSA-N 363.443 0.764 0 50 FCAA CN1CCN(c2ncccc2CNC(=O)c2cnn3cccnc23)CC1 67713293 YOPXMQDUEALLMB-UHFFFAOYSA-N 351.414 0.806 0 50 FCAA CCn1c(C2CCN(C(=O)c3cnc4cc(=O)[nH]n4c3C)CC2)n[nH]c1=O 67883671 MUXBQDGKLLWSRZ-UHFFFAOYSA-N 371.401 0.256 0 50 FCAA CCCN1C[C@H](Nc2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CC1=O 71752519 RVONTTCAICAVTF-CYBMUJFWSA-N 360.462 0.870 0 50 FCAA Cc1cc(C)cc(CN2CCN(C(=O)CCCS(N)(=O)=O)CC2=O)c1 72419080 TXZFMGVVYGKXKT-UHFFFAOYSA-N 367.471 0.543 0 50 FCAA CC(=O)N1CCc2nc(-c3ccncc3)nc(NCCC(N)=O)c2CC1 72479467 CNPRNEDMFDOQSZ-UHFFFAOYSA-N 354.414 0.773 0 50 FCAA CS(=O)(=O)c1cnc(NCCc2cn[nH]c2)nc1[C@@H]1CCCNC1 72480457 DQEIKMOZWXHOOC-GFCCVEGCSA-N 350.448 0.725 0 50 FCAA O=c1cc(N2CCN(C[C@]3(O)CCNC3)CC2)c(-c2ccccc2)n[nH]1 77422155 BGICCGYYWUWGEM-IBGZPJMESA-N 355.442 0.283 0 50 FCAA COc1ccc(OC)c([C@H]2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)c1 77470678 FTSWSRKLGNTOOF-LBPRGKRZSA-N 373.409 0.649 0 50 FCAA Cn1c(CCCNC(=O)CN2CCC(C(N)=O)CC2)nc2ccccc21 91706856 CPDZJLAAZHCZCL-UHFFFAOYSA-N 357.458 0.819 0 50 FCAA CS(=O)(=O)CCNC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 97657349 KYTFAMIJMGCOQE-YPXDRJKUSA-N 352.460 0.734 0 50 FCAA COCCN1CC[C@@H](CNS(=O)(=O)c2c(C)nn(C)c2Cl)C1 150846857 OJYPSMDMOIPTQG-NSHDSACASA-N 350.872 0.629 0 50 FCAA CCc1n[nH]c(=O)c(CNC(=O)c2ccnc(-n3cncn3)c2)c1CC 177825639 OQMDYZZPSZSRNI-UHFFFAOYSA-N 353.386 0.800 0 50 FCAA CSCCC(=O)N1CCC[C@@]2(CO)CN(c3nccc(N)n3)CC[C@H]12 215238324 CKMACSPSUYQFPA-GUYCJALGSA-N 365.503 0.992 0 50 FCAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 220379353 RTXGSKLBLRJBDH-AWEZNQCLSA-N 365.821 0.476 0 50 FCAA C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1nnnn1C 252497583 QKKXJJVTNMFXDZ-LLVKDONJSA-N 361.381 0.578 0 50 FCAA CN(CCC(=O)O)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 263566294 WLSJSUBKWVYIKT-UHFFFAOYSA-N 365.205 0.643 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)CCc2cccc(Cl)c2)[C@H](O)C1 299755534 BFMGKIPSFZBPMU-HZPDHXFCSA-N 367.877 0.912 0 50 FCAA Cc1noc(C)c1CC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299758844 QVZKVCLJZHXZTK-UHFFFAOYSA-N 370.475 0.709 0 50 FCAA COc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1NS(C)(=O)=O 299792776 FSQKUPYFAYKVPG-LLVKDONJSA-N 359.404 0.604 0 50 FCAA Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC(OCCO)CC2)c1C 330638895 BTIIXWRSSLAAKQ-UHFFFAOYSA-N 356.444 0.564 0 50 FCAA COC[C@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 408063864 SREHWVPHDLKPNM-AWEZNQCLSA-N 361.508 0.922 0 50 FCAA O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@H]1CCc2nnnn2CC1 421051620 AODGOXKWMHFQKM-VIFPVBQESA-N 358.341 0.315 0 50 FCAA CN(CC1(N2CCOCC2)CCCCC1)C(=O)NCCc1nc(O)n[nH]1 426612437 MFDAWXVKBHAKGW-UHFFFAOYSA-N 366.466 0.729 0 50 FCAA COCCCn1cnnc1CNS(=O)(=O)c1ccsc1C(=O)O 824396823 ACJYHNZUTKPGPV-UHFFFAOYSA-N 360.417 0.553 0 50 FCAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1cc2c(cc1C(C)=O)OCCO2 952872541 QUEGULNAULBIIR-AWEZNQCLSA-N 361.398 0.809 0 50 FCAA COc1cccc(OCC(=O)NCC2CCN(C(=O)c3cnn[nH]3)CC2)c1 952966454 IZWGPEQBFUOWOI-UHFFFAOYSA-N 373.413 0.861 0 50 FCAA Cc1cc(=O)n(CCN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(O)n1 1506419561 FKGOVWSKESYBTJ-HNNXBMFYSA-N 357.414 0.433 0 50 FCAA Cc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)CC2)cc1 1529181777 OZZDCCUDWFMRQO-GOEBONIOSA-N 366.483 0.737 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2COC)cs1 1565508504 SNDZGRYYTDJWAU-LYIQGSDWSA-N 360.457 0.436 0 50 FCAA COc1cc(CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)ccc1F 1565510218 KCAVVPFOWWKPIC-KBPBESRZSA-N 361.439 0.166 0 50 FCAA COc1ccc([C@H]2CN(C(=O)c3cc(O)nc(O)n3)C[C@@H]2NC(C)=O)cc1 1565530330 IXZGGUJSCAGTRB-HIFRSBDPSA-N 372.381 0.641 0 50 FCAA COc1c(C)cccc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704339828 NCYABYVIWIEOMP-JSGCOSHPSA-N 356.444 0.640 0 50 FCAA CN1C[C@@H](NC(=O)c2cncc(N3CCCC3)n2)[C@H](c2cncn2C)C1 1775960175 WEJRGUFNOBRHOH-UKRRQHHQSA-N 355.446 0.638 0 50 FCAA Cc1c[nH]nc1C(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2CC2)C1 1775962771 DZPDRKMGNSCBLU-ZIAGYGMSSA-N 356.430 0.834 0 50 FCAA Cc1nc(CN2CCC3(CC2)CC(=O)N(Cc2ccnn2C)CCO3)no1 1857699216 IJRXKIOAESIOHU-UHFFFAOYSA-N 374.445 0.895 0 50 FCAA 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0.954 0 50 FCAA CCN(CCS(C)(=O)=O)C(=O)c1c(C)nn(C)c1-n1ccnc1C 793724243 WEMXARLUKIBMDH-UHFFFAOYSA-N 353.448 0.729 0 50 FCAA CN1CC[C@](O)(CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 832206457 CTDXCKPKTQBZET-ZDUSSCGKSA-N 366.361 0.777 0 50 FCAA C[C@H]1c2sccc2CCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 880377685 CDDMEWUGKGXIGM-AWEZNQCLSA-N 364.515 0.900 0 50 FCAA O=C(Cc1ccc2n[nH]cc2c1)N1CCn2c(nn(CC(F)F)c2=O)C1 888092652 GDFPKQRPUORZJE-UHFFFAOYSA-N 362.340 0.771 0 50 FCAA COCCN1C[C@H](C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)CC1=O 952869578 VRDDQOSCWKFSHN-LLVKDONJSA-N 365.352 0.105 0 50 FCAA O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(C(=O)C2CCCC2)CC1 1506413995 MKQBTXQEBMZCHN-ZDUSSCGKSA-N 350.419 0.272 0 50 FCAA COCC(=O)N1CC[C@H](NC(=O)CSc2cccc(OC)c2)[C@@H](O)C1 1565529726 HIXQYBXYVBAWBZ-GJZGRUSLSA-N 368.455 0.512 0 50 FCAA COc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(OC)c1 1704359588 UIIQVKZULCBVFA-FZMZJTMJSA-N 372.443 0.340 0 50 FCAA O=C(Cc1cccc2ccccc12)NCC(=O)N1C[C@H]2C[C@@]1(C(=O)O)CO2 1776006601 XQKNYUIFVUJABK-QRWLVFNGSA-N 368.389 0.953 0 50 FCAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCc2ccccc2)C1 1857690071 VDUCPIVBMIFDGD-WMZOPIPTSA-N 365.499 0.892 0 50 FCAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H]1CC(=O)N(c2nccs2)C1 1857725593 DUHCCIWCOVMGPL-SECBINFHSA-N 370.398 0.388 0 50 FCAA COc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)ccn1 1857733721 WEXRUQOQMBSRGM-KKUMJFAQSA-N 362.430 0.140 0 50 FCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1875245962 UUUBWSUKMXMGNC-OLZOCXBDSA-N 352.412 0.019 0 50 FCAA CCOc1cccc(N2CCC(NC(=O)[C@]34CNC[C@H]3COC4)CC2)n1 1875315361 QUKYSLBTCLUPBK-LIRRHRJNSA-N 360.458 0.801 0 50 FCAA COCCn1nc(C(=O)N2CCN(CCO)CC2)c2c1[C@H](C)O[C@H](C)C2 1875401919 WDOIVUFVIXCSIV-KGLIPLIRSA-N 366.462 0.302 0 50 FCAA Cc1c(C(=O)N=c2[nH]n(C)c3c2CNCC3)c2ccccc2n(C)c1=O 2325769111 IHMCVXAYGAYPKM-UHFFFAOYSA-N 351.410 0.900 0 50 FCAA O=C(NS(=O)(=O)c1cnc(C2OCCO2)s1)[C@H]1CCCOCC1 2325852911 XZKRUZPZJSCWGG-VIFPVBQESA-N 362.429 0.810 0 50 FCAA O=C([C@H]1CNCCOC1)N1CCc2nc(CCc3ccccc3)nn2CC1 2356139224 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KIOFQIHBDZLSPB-INIZCTEOSA-N 363.433 0.747 0 50 FCAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cn(CCN2CCNCC2)nn1 77356950 GJWQZEUZBRDDNR-MRXNPFEDSA-N 373.461 0.765 0 50 FCAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)on1)CC2 91746916 ZTWYAKHEHZIYQZ-UHFFFAOYSA-N 373.413 0.869 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91793884 LDCUILMONTZRKM-IBGZPJMESA-N 374.441 0.389 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 91849216 WNTAXNRSTQFAJA-CQSZACIVSA-N 357.414 0.593 0 50 FCAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(c1cc(N)ncn1)CC2 92077001 PRGOLOGFDHMFDY-UHFFFAOYSA-N 363.447 0.095 0 50 FCAA CN(C)CCN1C[C@@H](C(=O)NC2CCN(Cc3ccco3)CC2)CC1=O 95362612 SKHSPXJDFAJIJH-HNNXBMFYSA-N 362.474 0.770 0 50 FCAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(=O)n(C)c(=O)n1C 95519078 FHRBSNGDFJONLC-UHFFFAOYSA-N 373.388 0.804 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CC1=CSC2=NCCN12 102806584 MBOOZQHOVJNROD-YPMHNXCESA-N 351.476 0.433 0 50 FCAA 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0 50 FCAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CC[C@@](O)(C(F)(F)F)C1 246682831 BEBALIPHXIVBLY-NDTSVILPSA-N 358.316 0.319 0 50 FCAA CNS(=O)(=O)c1csc(C(=O)N[C@H](CO)CN2CCCCC2)c1 298633212 QRNSGGGKWVONSN-NSHDSACASA-N 361.489 0.233 0 50 FCAA COCCNC(=O)c1ccc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)c(C)c1 299767256 JGLZKNMQVQEFFC-ZDUSSCGKSA-N 367.427 0.803 0 50 FCAA Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc3nnn(C)c3c2)cn1 330297953 LHKWSFSWDZBTBG-MQNRADLISA-N 358.427 0.648 0 50 FCAA COC(=O)c1cn([C@H]2CN[C@H](C(=O)Nc3ccc4c(c3)COC4)C2)nn1 824220709 FOSCNGLVAIKRLK-KGLIPLIRSA-N 357.370 0.637 0 50 FCAA Cn1cc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cn1 825658333 HHNWAUATYDQCIK-OAHLLOKOSA-N 351.432 0.167 0 50 FCAA O=C(NC[C@H]1CCCN(C(=O)Cc2cc(O)nnc2O)C1)c1ccccn1 952969327 AANRQFUNGRIFBQ-GFCCVEGCSA-N 371.397 0.494 0 50 FCAA COc1ccc(C)cc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704299386 JTOFUCNADNWTNS-JSGCOSHPSA-N 356.444 0.640 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 1704299742 SFQANWHMNMBAMW-GWCFXTLKSA-N 366.436 0.010 0 50 FCAA O=C1C[C@H]2N(S(=O)(=O)c3ccc4nc[nH]c4c3)CC[C@]23OCCCN13 1857733412 JNXOKKJGSYXFBI-ZBFHGGJFSA-N 362.411 0.675 0 50 FCAA Cc1nn(C)c(C)c1CCC(=O)N1CCc2nc(C(=O)N(C)C)cn2CC1 1875247580 LJMSVQGPAXXBMN-UHFFFAOYSA-N 372.473 0.953 0 50 FCAA NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3CO2)c1 1875333062 YLSPGMJSBLQYIL-INIZCTEOSA-N 353.378 0.982 0 50 FCAA O=C(O)CCCCn1cc(CSCC(=O)N2CC[C@@H](O)[C@H](F)C2)nn1 1875356767 WWBKHCNPCXAXPV-CHWSQXEVSA-N 374.438 0.698 0 50 FCAA CN1CCC(c2ncc(C(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)[nH]2)CC1 1875401454 YONJFCXYPJIVTR-FRFSOERESA-N 372.473 0.985 0 50 FCAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1 2100547319 FEDVVORTFWQDSU-CVEARBPZSA-N 358.402 0.236 0 50 FCAA CC1(C)CN(C(=O)[C@@H]2C[C@H]2F)C[C@@H]1NC(=O)c1n[nH]c2c1COCC2 2325867098 KMRCRIJXKDICBI-XWIASGKRSA-N 350.394 0.807 0 50 FCAA CC(C)(N)CCNC(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325895654 GCIQCKCJZJTWMS-CQSZACIVSA-N 372.425 0.305 0 50 FCAA COCCCNc1nc2nonc2nc1N(C)CCN1CCOCC1 20455433 HZCVPQORZZJOGW-UHFFFAOYSA-N 351.411 0.230 0 50 FCAA Cc1ccc(NC(=O)CC(=O)N2CCN3CCNC(=O)[C@@H]3C2)cc1Cl 65403478 XYVAULLFIBKQEO-AWEZNQCLSA-N 364.833 0.620 0 50 FCAA Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(-c2cccnc2)n1 65411024 SAKNVEVLJXGIFQ-UHFFFAOYSA-N 362.459 0.775 0 50 FCAA CN1C[C@H]2CNC[C@@]2(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)C1 65534012 PQZNLFFFGSSGSO-IIBYNOLFSA-N 368.481 0.718 0 50 FCAA CNc1nc(C)c(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)s1 72126535 IHQBCRPMOMVVLR-NSHDSACASA-N 362.459 0.843 0 50 FCAA CNc1ncc(C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cn1 72149042 KHLNZCREUQLMST-UHFFFAOYSA-N 363.381 0.862 0 50 FCAA COCCCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C1CCN(C)CC1 72155973 XYTLFXINJRXWHZ-UHFFFAOYSA-N 350.463 0.889 0 50 FCAA O=C1NC[C@@]2(C(=O)O)CN(C(=O)CCc3nc4ccccc4s3)C[C@@H]12 72478644 BWLNTOXWLQBBOT-DYZYQPBXSA-N 359.407 0.888 0 50 FCAA O=C(N[C@@H]1CCN(C(=O)CCCn2cccn2)C[C@H]1O)c1ccccn1 77440898 GEHNGRUFBZZHGL-GDBMZVCRSA-N 357.414 0.450 0 50 FCAA 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O=C(NCc1cnn2c1CN(C(=O)C1(F)CC1)CC2)c1ccnc(O)c1 1875407534 BZXLQLQMZLCIEU-UHFFFAOYSA-N 359.361 0.758 0 50 FCAA C[C@@](O)(C(=O)O)[C@@](C)(O)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 2325851580 CTIQLKKEQXRERT-DLBZAZTESA-N 365.361 0.257 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 2356168889 GKNSBIWTJHVUEW-LRDDRELGSA-N 353.396 0.352 0 50 FCAA NCCCC[C@@H]1NC(=O)[C@H]2CN(CCCc3ccccc3)CCN2C1=O 14753755 GAIQLYDLRUUYOX-ZWKOTPCHSA-N 358.486 0.759 0 50 FCAA Cc1cccc(N(CC(=O)NCCN2CCC[C@H](O)C2)S(C)(=O)=O)c1 55344149 WFQZEDJUKBGJIS-INIZCTEOSA-N 369.487 0.334 0 50 FCAA Cn1ncc(N2CCO[C@@H](CCN3Cc4ncccc4C3=O)C2)cc1=O 65408583 IPXBPCCZHFDEPD-AWEZNQCLSA-N 355.398 0.427 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)c3cn4c(n3)CNCC4)cc2C1=O 71639173 SPHRWHYUMKTDJO-UHFFFAOYSA-N 370.413 0.296 0 50 FCAA Cc1ccc(CCNC(=O)C[C@@H]2COCCN2S(=O)(=O)N(C)C)o1 72454050 PXRMQQDQBZTNSB-CYBMUJFWSA-N 359.448 0.144 0 50 FCAA Nc1nc(CCC(=O)N2CCOC[C@](O)(CN3CCCC3)C2)cs1 77503261 XERKXKFHGAIITG-INIZCTEOSA-N 354.476 0.344 0 50 FCAA CCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)[C@H]1Cc2ccccc2CN1 82148507 JCNFCSJMXMXSDX-HRCADAONSA-N 369.462 0.579 0 50 FCAA CCCc1cc(C(=O)N2CCO[C@@H](Cc3nc(COC)no3)C2)n(C)n1 82156567 OKJNLEJQPJVCSN-ZDUSSCGKSA-N 363.418 0.986 0 50 FCAA COCCN1CCC[C@@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1=O 91440949 SCGFJZQEPZUGFR-KRWDZBQOSA-N 372.487 0.299 0 50 FCAA CN(C)C(=O)N1CC[C@]2(O)CCN(C(=O)CCc3cccnc3)C[C@@H]2C1 91604356 AEBVPZFUPJINRZ-VQIMIIECSA-N 360.458 0.981 0 50 FCAA CCN(CCO)C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)[nH]n2)C[C@@H]1CO 91663485 LJDBWSQIXICOLE-HUUCEWRRSA-N 373.457 0.466 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(C)cn2)CN1Cc1ccncc1 91690257 SFWUSCWVIVFUAI-WBVHZDCISA-N 368.441 0.689 0 50 FCAA CN(CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)S(C)(=O)=O 92065235 HCFSMGUTOUVKDG-UONOGXRCSA-N 367.475 0.185 0 50 FCAA NS(=O)(=O)Cc1cccc(NC(=O)NCCN2CCCC[C@@H]2CO)c1 96133826 KIVWVYRGCUKBQE-OAHLLOKOSA-N 370.475 0.443 0 50 FCAA O=C(Nc1ccc(-n2ccnc2)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 96139311 ULEBBFOWRHGYKL-LSDHHAIUSA-N 361.427 0.475 0 50 FCAA O=C(CCNC(=O)[C@@H]1COCCN1C1CCCC1)NCc1ccccn1 170610650 RBYDYTBXUCJVEV-KRWDZBQOSA-N 360.458 0.848 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1=O 216216973 XAVUMHUJXWBFEP-UHFFFAOYSA-N 369.381 0.106 0 50 FCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239038652 DQAXQMMAGTZHAM-NZBPQXDJSA-N 364.423 0.516 0 50 FCAA CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCO)[C@H]4C2=O)cc1 252346845 IAWVTGHGKLSNCG-OAFZBRQQSA-N 371.393 0.040 0 50 FCAA CSCC[C@H](CO)NC(=O)CCCn1nnc2ccccc2c1=O 252498558 RESXPRLSXSYUAZ-GFCCVEGCSA-N 350.444 0.802 0 50 FCAA COCCn1c(CN2CCC(n3cnnc3)CC2)nnc1[C@H]1C[C@H](N)C1 252536450 IPETZWUMSFIOPG-HDJSIYSDSA-N 360.466 0.558 0 50 FCAA Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C(=O)O)nc3)C2=O)n(C)n1 262803475 OLMAHXKFOIUEJR-LBPRGKRZSA-N 357.370 0.747 0 50 FCAA Cc1cc(S(=O)(=O)N2CCN(CCn3cncn3)CC2)c(C)s1 264165598 YXWUPWRERFGSLY-UHFFFAOYSA-N 355.489 0.963 0 50 FCAA C[C@@H](N1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1)C(F)(F)F 267452223 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O=C1CC[C@@H](c2ccc(C(=O)N3CC(Cn4cc(CO)nn4)C3)cc2)N1 1875336577 BYRQHENNQGQKFM-INIZCTEOSA-N 355.398 0.494 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cnoc2C2CCOCC2)N1C 1875402952 NJMUSKXUBBYPLP-PXAZEXFGSA-N 353.419 0.380 0 50 FCAA CCN(C)C(=O)CN1CC[C@H](NC(=O)C(C)(C)CNC(C)=O)C[C@H]1C 2325794203 UYSLROVOTNDDEP-HIFRSBDPSA-N 354.495 0.596 0 50 FCAA CC[C@H](C)C(=O)NC1(CN(C)C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 2325827795 QPOKVRMCKJBHEZ-UONOGXRCSA-N 373.519 0.954 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(-c3cnn(C)c3C)on1)C2 2356149636 NDLYCLKZXGYKBI-GTNSWQLSSA-N 360.370 0.645 0 50 FCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCO2)c(F)c1 15074441 NYSQSSBAXMZGSM-HNNXBMFYSA-N 351.378 0.689 0 50 FCAA Cc1cc(C)cc(CN2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2=O)c1 20859654 MGFXGKFGRYWBCQ-HNNXBMFYSA-N 372.425 0.462 0 50 FCAA COC(=O)CCC(=O)N1CCC[C@H](CCC(=O)N2CCN(C)CC2)C1 23340190 PRJQXWRZHYEZQG-OAHLLOKOSA-N 353.463 0.732 0 50 FCAA Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)n1 23380150 HJVSEHRUCOXQBQ-MRXNPFEDSA-N 371.441 0.736 0 50 FCAA Cn1c(=O)cc(N2CCC[C@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O 34505195 IWYJYHUNXVAVAA-HNNXBMFYSA-N 357.389 0.534 0 50 FCAA in-vitro C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1nncn1C 51136285 RSIJWNFZEDAHCE-SECBINFHSA-N 350.404 0.045 0 50 FCAA CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 55042275 CXKCKZWLDPJCOY-HNNXBMFYSA-N 359.455 0.887 0 50 FCAA O=C1CCCCCN1CC(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 65453631 DPXXEXKCSCKYRV-UHFFFAOYSA-N 373.457 0.864 0 50 FCAA CN1CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)C[C@@H]2C1=O 65503510 AWOBLHSRYCNIKS-MRVPVSSYSA-N 363.848 0.075 0 50 FCAA COC(=O)CCOCCOCCOCCOCCOCCC(=O)O 71257143 LSGMOHWEFFVQEO-UHFFFAOYSA-N 352.380 0.107 0 50 FCAA in-vitro COc1ccccc1[C@@H]1CN(C(=O)Cn2ncnn2)[C@@H]2C3CCN(CC3)[C@H]12 72152480 ZMPSSZCTGODBSA-KFKAGJAMSA-N 368.441 0.771 0 50 FCAA CCc1cc(N2CCN[C@H](C(=O)NCc3ccncc3)C2)nc(N(C)C)n1 72171644 BBPYVOGDACFUGC-INIZCTEOSA-N 369.473 0.595 0 50 FCAA Cc1cn(CC(=O)N2CCCC[C@@H]2CCc2nccn2C)c(=O)[nH]c1=O 77339765 LRPAQSFJMFLOPQ-CQSZACIVSA-N 359.430 0.592 0 50 FCAA O=C(Cn1cccn1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82138694 ZJJFITBPFJWEJS-UHFFFAOYSA-N 356.430 0.928 0 50 FCAA COc1cccc2c1OCCCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C2 95364614 LDCSPAFQCYESBI-UHFFFAOYSA-N 359.382 0.518 0 50 FCAA CCNC(=O)COc1ccc(NC(=O)N2CCC[C@@H]3C(=O)NC[C@@H]32)cc1 170608471 VVPLJQPFCVJZEF-GJZGRUSLSA-N 360.414 0.944 0 50 FCAA CN1C(=O)N(C)C2(CCN(C(=O)Cn3nc4ccccc4n3)CC2)C1=O 215251922 QOHDMYMUCJPPHD-UHFFFAOYSA-N 356.386 0.316 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2cnc3c(c2)CCCC3)[C@H]2CCO[C@H]21 222396946 KVQJBAABDDNQPB-SLBVQIDZSA-N 365.455 0.395 0 50 FCAA Cc1cnc(C)c(N2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)n1 223409910 VFMTUCNHELWGDM-UHFFFAOYSA-N 354.462 0.997 0 50 FCAA CC(C)(C)OC(=O)NCCNC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 242701476 WFCWYOYNRIQBHF-GVXVVHGQSA-N 372.491 0.963 0 50 FCAA C[C@H](C(=O)N1CCN(CCn2cncn2)CC1)n1c(=O)oc2ccccc21 244692020 JNBSEANXEBSNGY-CQSZACIVSA-N 370.413 0.591 0 50 FCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCNC(=O)c2ccccc2F)C1 252500109 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Cc1nn(C)c2nc(C(=O)N[C@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)ccc12 888095620 UZBBLSWCCFBANJ-NOLJZWGESA-N 357.414 0.833 0 50 FCAA O=C(N[C@H]1CCOC[C@@H]1OCCO)C1(S(=O)(=O)c2ccccc2)CC1 1565512351 CEEKMHIHTWQBIA-GJZGRUSLSA-N 369.439 0.276 0 50 FCAA Cc1cn(CC(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)c(=O)nc1O 1704300725 YSHBFIUZFPAQOJ-SFHVURJKSA-N 370.413 0.136 0 50 FCAA CC(C)c1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(O)n1 1704337623 AEBPWHQDBYVDQU-FZMZJTMJSA-N 371.459 0.547 0 50 FCAA Cc1cc(C(=O)N2CCCN(CCCS(=O)(=O)N(C)C)CC2)n(C)n1 1772707896 XPBQBFNTAXSSRT-UHFFFAOYSA-N 371.507 0.158 0 50 FCAA O=C(N[C@H]1CS(=O)(=O)C[C@H]1NC1Cc2ccccc2C1)c1cnccn1 1772806372 DOUZJMFDUYQBRY-SJORKVTESA-N 372.450 0.129 0 50 FCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1cc(=O)n2ccccc2n1 1775962638 XVIXHFLUUBXTMP-RYUDHWBXSA-N 356.386 0.978 0 50 FCAA Cc1nc(C)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C2(C)CC2)s1 1775981032 GVEOFYCADQSTEC-GHMZBOCLSA-N 371.484 0.572 0 50 FCAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCc1nc(O)n[nH]1 1857695582 POCFVKHFEGJTRN-SNVBAGLBSA-N 357.374 0.969 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]2O)n[nH]1 1857717308 QOTASQGYYHUZKH-CZUORRHYSA-N 353.386 0.369 0 50 FCAA CCOCc1nnc(N2C[C@@H](C(=O)NCC[C@H]3C[C@@H](O)C3)CC2=O)s1 1857721494 RMWXWTYUHGHYMF-SDDRHHMPSA-N 368.459 0.705 0 50 FCAA CCOCc1nnc(N2C[C@@H](C(=O)NCCc3cnc[nH]3)CC2=O)s1 1857739432 JVDKPKRQRYDPMN-JTQLQIEISA-N 364.431 0.510 0 50 FCAA CCN1C(=O)CC[C@H](C(=O)NCC/C=C/C(=O)OC)[C@H]1c1cnn(C)c1 1875314126 ISRVRDOPJIUKDY-KQTBYGHGSA-N 362.430 0.955 0 50 FCAA C[C@H]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CN1C(=O)c1cc(Cl)no1 1875406374 BZALOZDTIOAFKM-YIZRAAEISA-N 355.782 0.119 0 50 FCAA C[C@@H]1C[C@@H](NC(=O)Cn2nnc(C3CC3)n2)CCN1C(=O)[C@@H]1CC12CC2 1875407028 RERJGFHAJJCDGI-XBFCOCLRSA-N 358.446 0.846 0 50 FCAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCc2nc(C3CC3)nn2CC1 2356133871 JAXSXKPYQYOSRJ-UHFFFAOYSA-N 364.413 0.889 0 50 FCAA Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccc(F)cc2)n(C)c1=O 629446 JNJGJROYELMPFU-UHFFFAOYSA-N 373.388 0.458 0 50 FCAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 1075136 IVHHFJKAHCKCEP-UHFFFAOYSA-N 368.390 0.022 0 50 FCAA CCOCCn1c(=O)c2c(nc3n(CCCOC)c(C)cn23)n(C)c1=O 4251094 LGEJFJILIRTLQW-UHFFFAOYSA-N 363.418 0.531 0 50 FCAA O=C(CCn1cnnn1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12433214 QBACGISFSUTOCT-AWEZNQCLSA-N 358.402 0.938 0 50 FCAA O=C(NCCN1CCNC1=O)c1coc(CN2CCc3ccccc3C2)n1 20453352 KMTRZEKTBVAIDZ-UHFFFAOYSA-N 369.425 0.988 0 50 FCAA Cc1nccc(N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1 23430068 CVFVFFHVIDAIMD-HNNXBMFYSA-N 370.461 0.225 0 50 FCAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCn3c(C(N)=O)cnc3C2)c1C 67642965 HLQZUXIKWSSUOU-SNVBAGLBSA-N 372.429 0.991 0 50 FCAA CCn1c(C2CCN(C(=O)c3ccc(-n4cnnc4)nc3)CC2)n[nH]c1=O 67804282 IOOCWWHNSXRTIF-UHFFFAOYSA-N 368.401 0.587 0 50 FCAA C[C@H]1C(=O)NCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67840896 KFIYMYMOMRKMQD-JTQLQIEISA-N 359.338 0.943 0 50 FCAA Cc1ccc2c(c1)N(CC(=O)N1CCc3c(nc(C)[nH]c3=O)C1)C(=O)CO2 71419595 NJAWIOSYQZCTQY-UHFFFAOYSA-N 368.393 0.697 0 50 FCAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)c2cnccn2)C1 72432704 FLJKIXNRZQEGPX-AWEZNQCLSA-N 371.445 0.457 0 50 FCAA O=C([C@H]1COCCO1)N1CCn2nc(CN3CCSCC3)cc2C1 72454756 PYNQWIYLLYJDHU-OAHLLOKOSA-N 352.460 0.190 0 50 FCAA Cc1noc(C)c1CCC(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77340576 CDSLNHZHPZFZFO-SFHVURJKSA-N 351.447 0.910 0 50 FCAA Cn1cnc(S(=O)(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 77469888 WBOCDCPVGBHHQW-MRXNPFEDSA-N 352.460 0.976 0 50 FCAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CN(C)C(=O)N1)CC2 91319909 VTAGKLFTZOTRHD-CYBMUJFWSA-N 374.445 0.046 0 50 FCAA COc1ccc([C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]2NC(C)=O)cc1 91526894 DUISIJJKOZCQIB-JKSUJKDBSA-N 358.402 0.203 0 50 FCAA O=C(CCc1cc2n(n1)CCN(C(=O)CCn1cncn1)C2)NC1CC1 91757023 WSEVICYWKGQWGM-UHFFFAOYSA-N 357.418 0.118 0 50 FCAA O=C(CCn1nnc2ccccc21)N1CCN(CCn2cncn2)CC1 91793480 GPBIVHMOWCFMRO-UHFFFAOYSA-N 354.418 0.257 0 50 FCAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1nc3nc(C)cc(C)n3n1)CC2 91973681 GKFBQQDWGFCNSE-KGLIPLIRSA-N 359.430 0.672 0 50 FCAA COCCn1nnnc1[C@H]1CN(c2nc(N)nc3c2CCCC3)CCO1 95367449 JYNJSYKPAXHXDD-CYBMUJFWSA-N 360.422 0.148 0 50 FCAA CCc1noc(C)c1C(=O)N1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 95371012 QWSPPTRSXZGWBJ-MLGOLLRUSA-N 371.459 0.404 0 50 FCAA CCc1nc(-c2ccnc(-n3cnnc3)c2)n([C@H]2CCS(=O)(=O)C2)n1 96162728 CTCPOIAUMFGQAW-LBPRGKRZSA-N 359.415 0.843 0 50 FCAA CCc1noc(C)c1C(=O)N1CCO[C@H](c2nnnn2CCOC)C1 97730159 YEJQKJUXQMNROZ-LBPRGKRZSA-N 350.379 0.392 0 50 FCAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]21 216807550 PCLWNWMATZFZTQ-KGLIPLIRSA-N 359.492 0.551 0 50 FCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCn1cc(Cl)cn1)C2 222321485 YCGDPRVUEMNDPV-YPMHNXCESA-N 360.867 0.809 0 50 FCAA Nc1ncccc1CN1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 247661756 SUGYPBQJDCCDHG-CVEARBPZSA-N 361.446 0.391 0 50 FCAA O=S1(=O)CCCN1[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 278897732 OYLZWILTULEQER-OAHLLOKOSA-N 362.459 0.662 0 50 FCAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1C 285491772 LSFWZZLKBSBCLB-INIZCTEOSA-N 354.428 0.159 0 50 FCAA Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3C(=O)O)CC2=O)c(F)c1 299748268 GQPQIIVGLVYTMD-BXUZGUMPSA-N 350.346 0.799 0 50 FCAA O=C1CC[C@H](C(=O)NCCN2CCC(c3ccccc3)CC2)NC(=O)N1 299771132 STZLNRUAWOMADY-MRXNPFEDSA-N 358.442 0.970 0 50 FCAA C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 330756699 HKVIMPUIDOZKLB-UWVGGRQHSA-N 366.436 0.589 0 50 FCAA CCN1C[C@H](C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)CC1=O 332095661 NUOMGCJQGIFGIS-NWDGAFQWSA-N 350.444 0.684 0 50 FCAA NC(=O)NCc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 363092686 YZXVQMXUSFFVLZ-UHFFFAOYSA-N 372.429 0.636 0 50 FCAA CC(C)Oc1ccc(CCNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1 426503178 LOEMDUPEPDYLNY-AWEZNQCLSA-N 372.425 0.747 0 50 FCAA NC(=O)NCCC[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=O 826844175 GJFXJUJJQYWQBH-ZFWWWQNUSA-N 355.398 0.368 0 50 FCAA Cc1nc(CC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)CCO3)cs1 827920969 DGGTURULNJEVNC-UHFFFAOYSA-N 373.500 0.647 0 50 FCAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc2nnnn2c1 828172200 LYOJGDJFHZSZJN-GKUGFIGPSA-N 365.401 0.589 0 50 FCAA CN(C)[C@@H](CNC(=O)[C@H]1CCCN(CC(N)=O)C1)c1ccc(F)cc1 952870062 RAWKFWZHPDGZQD-HOCLYGCPSA-N 350.438 0.742 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)C1 952976213 VBFMIGHMKNFGLX-BZSNNMDCSA-N 356.470 0.669 0 50 FCAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C[C@@H]2O)no1 1565514167 UTBBXWOMSUHJDD-HOCLYGCPSA-N 359.382 0.754 0 50 FCAA CSCC[C@H](NC(C)=O)C(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 1704297065 FPPSRQZHFGQDHR-LSDHHAIUSA-N 371.503 0.484 0 50 FCAA O=C(c1ccnc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)c1)N1CCOCC1 1704330463 CUEODTUOXGAUTC-SJLPKXTDSA-N 368.437 0.989 0 50 FCAA O=C(O)CN1CCC[C@]2(CO)CCN(Cc3cccc4nonc34)C[C@@H]12 1704347809 GZDBFOHOLFFKNJ-CRAIPNDOSA-N 360.414 0.956 0 50 FCAA COc1ccc(Cl)cc1-n1nc(CC(N)=O)nc1[C@H]1CN(C)CCO1 1857717214 NOOFTUJSNDTBBX-CYBMUJFWSA-N 365.821 0.960 0 50 FCAA CC(C)c1nnc(N2C[C@H](C(=O)N3CCC(O)(CO)CC3)CC2=O)s1 1857732333 MDNUIIZAGCMEDF-LLVKDONJSA-N 368.459 0.360 0 50 FCAA Cc1cc(CNC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)nc(N2CCCC2)n1 1875309166 VSRBBWQBMADACW-WDNDVIMCSA-N 350.444 0.292 0 50 FCAA COC1(C(=O)N[C@H]2C[C@H](CNC(=O)c3cnn4ccncc34)C2)CCC1 1875327914 PMKYFHGWLOHWGY-JOCQHMNTSA-N 357.414 0.923 0 50 FCAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2cn(CC3CC3)nn2)ncn1 1875397945 UZUKNMHPHRHRAR-HZPDHXFCSA-N 372.477 0.274 0 50 FCAA C[C@H]1CN(c2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cn2)C[C@@H](C)O1 2325730495 VPNOFWHMTAZFTH-MBNYWOFBSA-N 351.428 0.736 0 50 FCAA C[C@@](N)(CNC(=O)C(=O)Nc1cnc2ccccc2c1)Cn1cccn1 2325857784 OXEGEHVUVCVGBU-GOSISDBHSA-N 352.398 0.904 0 50 FCAA O=C(NCc1nnc2ccccn12)C(=O)NC[C@@H]1Cc2ccccc2CN1 2325859846 MVTIRWIIDUJRFT-HNNXBMFYSA-N 364.409 0.176 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 2325888545 CDVJLOXVAVKHRC-ZDUSSCGKSA-N 355.398 0.934 0 50 FCAA Cc1cccc(C)c1OCCNC(=O)C(=O)NCCCN1CCOCC1 19831470 IMEQYHTXRNNJRA-UHFFFAOYSA-N 363.458 0.637 0 50 FCAA CN(Cc1c(Br)cnn1C)C(=O)c1c(C(=O)O)cnn1C 20614662 CTYHLBBAOMPXOF-UHFFFAOYSA-N 356.180 0.887 0 50 FCAA Cn1ncc(N2CC[C@H](CNC(=O)C(=O)Nc3ccccc3F)C2)cc1=O 23429466 SCJDXEZWJSBLPI-GFCCVEGCSA-N 373.388 0.501 0 50 FCAA O=C(O)c1c(S(=O)(=O)N2CCC[C@H](CO)C2)sc2c1CCNC2 67674747 LLELDOXVRZJBKG-VIFPVBQESA-N 360.457 0.485 0 50 FCAA CCn1c(C2CCN(C(=O)CCn3c(C)cccc3=O)CC2)nn(C)c1=O 67770866 HDDMKBPDVNJTCR-UHFFFAOYSA-N 373.457 0.868 0 50 FCAA Cc1nn(CC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c(=O)c2ccccc12 72138860 JLLNMYBSGWGVCR-GOSISDBHSA-N 356.382 0.806 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nc(C)c[nH]2)[C@@H]3C1=O 77538049 AMAZYCZLRVSQFH-AZAGILFBSA-N 360.414 0.105 0 50 FCAA CC(C)C[C@H](O)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82137503 FQZYPAXKVZYIDJ-AWEZNQCLSA-N 358.464 0.072 0 50 FCAA Cc1ccn2c(=O)cc(CN3CC[C@]4(CCCN(CCO)C4=O)C3)nc2c1 91365265 FJZMOXPGIZBUKG-HXUWFJFHSA-N 370.453 0.810 0 50 FCAA COCCN1CCC[C@]2(CCN(S(=O)(=O)c3cnoc3C)C2)C1=O 95356800 AAFHUIAGUZJGPB-OAHLLOKOSA-N 357.432 0.633 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2oc(C)nc2C)CN1CC(=O)O 96142102 NTEQDACSMBKBSC-STQMWFEESA-N 366.418 0.417 0 50 FCAA O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CC(c2ccccn2)C1 97360057 VJOLYTMONNKGQN-MRXNPFEDSA-N 363.483 0.907 0 50 FCAA O=C1NCCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)[C@@H]1Cc1c[nH]cn1 97425367 ILBXNTPODXIUAG-OAHLLOKOSA-N 369.356 0.574 0 50 FCAA NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccnc(OCC3CC3)c2)C1 170609778 WABYUDLSGOIORC-CYBMUJFWSA-N 354.432 0.443 0 50 FCAA C[C@@H]1CNCCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 262011572 JSVXKVMAASDXTC-CYBMUJFWSA-N 368.455 0.832 0 50 FCAA Cc1c(N2CCN3C(=O)NC[C@@H]3C2)nn2c(C(F)(F)F)nnc2c1C 269381782 POKWWSHHBWXWSE-SECBINFHSA-N 355.324 0.974 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C[C@H]1O 299761676 YXRKFKVWEMWWBE-RKDXNWHRSA-N 367.880 0.373 0 50 FCAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 328634881 UKIVTPZEUHVTQZ-LBPRGKRZSA-N 364.427 0.669 0 50 FCAA O=C(NC[C@@H]1CCCS1(=O)=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 332970477 MHDJXZMXRQVCMU-AVGNSLFASA-N 364.489 0.315 0 50 FCAA Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c(C)s1 333920273 PVGRFHBCNMIZAN-WCQYABFASA-N 365.498 0.942 0 50 FCAA COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)n1 370161531 MQCJLUJZBGLLBN-GUYCJALGSA-N 357.414 0.968 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cccc3c2OCCO3)C1 886095125 LYAQRYGFIRJXQE-SFHVURJKSA-N 358.398 0.796 0 50 FCAA Cc1noc([C@@H]2COCCN2C2CN(C(=O)c3cnc(C)nc3C)C2)n1 888095109 PVWWBXLADBSNIF-HNNXBMFYSA-N 358.402 0.683 0 50 FCAA CNC(=O)[C@]1(C)CCN(c2ncnc3c2ncn3C[C@H](O)[C@H]2CCCO2)C1 888097716 NALXJKAWKPKZQM-VEVIJQCQSA-N 374.445 0.329 0 50 FCAA COc1cccc(-n2cc(C(=O)NCC34COCCN3CCOC4)nn2)c1 913300414 IDCZVWBBYPDCHT-UHFFFAOYSA-N 373.413 0.107 0 50 FCAA CCN1CCO[C@@H](CNC(=O)c2cccn(C)c2=O)[C@@H]1c1cncn1C 952852814 MXRHYYHADKSFIC-HOTGVXAUSA-N 359.430 0.311 0 50 FCAA CN(C)c1cc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2cnn(C)c2)ncn1 952889224 ZPLZJFBRJGMNJJ-UONOGXRCSA-N 359.434 0.204 0 50 FCAA CO[C@H]1C[C@@H](CNC(=O)Cc2cnn(C)c2C)N(c2cc(C)ncn2)C1 952890588 FFSWXQCRAMMXNV-HOTGVXAUSA-N 358.446 0.780 0 50 FCAA CC(C)n1cc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cn1 1073257576 PQYOAZNEYQWRPZ-CABCVRRESA-N 369.491 0.429 0 50 FCAA O=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2 1772701607 NCNFZVJJTUILFF-BZNIZROVSA-N 369.395 0.570 0 50 FCAA CN1CCn2nc(C(=O)NCc3ccc(-c4ncon4)cc3)cc2C1=O 1857676066 CATAOZQSUFPONE-UHFFFAOYSA-N 352.354 0.949 0 50 FCAA CN1CCn2nc(C(=O)NCC[C@H]3COc4ccccc4O3)cc2C1=O 1857682900 VGWWGNXHRKIDMC-LBPRGKRZSA-N 356.382 0.929 0 50 FCAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3ccnc(-n4cnnc4)c3)C[C@H]2CO1 1857736724 SDYFBIHVKBIZQP-JYJNAYRXSA-N 356.430 0.890 0 50 FCAA O=C1NCCC[C@]12CCCN2S(=O)(=O)c1cccc2c1OCCO2 2356157075 DEBPLIRYCWEDLZ-INIZCTEOSA-N 352.412 0.891 0 50 FCAA CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 19223602 ZRYBKUMCJGXHGE-AWEZNQCLSA-N 373.375 0.847 0 50 FCAA Cn1ncc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)cc1=O 20598170 YEBMZYSYWRCUAD-UHFFFAOYSA-N 353.382 0.813 0 50 FCAA O=C1CN(C(=O)CCCC(=O)NC2=N[C@H]3CCCC[C@H]3S2)CCN1 41127911 QROGTFAVGIUYMC-NWDGAFQWSA-N 352.460 0.645 0 50 FCAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCO2)cc(OC)c1 55107434 YHHRGHSHTKIUFN-INIZCTEOSA-N 363.414 0.558 0 50 FCAA CCCCOc1ccccc1C(=O)N1CCN2C(=O)CN(C)C(=O)[C@H]2C1 65386037 HVXBKYVRNZQUJI-OAHLLOKOSA-N 359.426 0.991 0 50 FCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cccc2nsnc12 67804510 GHFYJFLEBDQVMV-ONGXEEELSA-N 369.472 0.306 0 50 FCAA CCn1c([C@@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)nn(C)c1=O 67819005 XMDJQTVZNSEYJD-GFCCVEGCSA-N 368.463 0.212 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)Cn1nc3ccccc3n1)C2 71614109 GJQLDWBWDOSCFN-UHFFFAOYSA-N 353.386 0.166 0 50 FCAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccon3)CC2)C1 71750292 MMDHIMCYLKHVBE-CQSZACIVSA-N 364.446 0.754 0 50 FCAA CO[C@H]1[C@H](NC(=O)Cn2cccnc2=O)c2ccccc2C12CCNCC2 72480619 UKFMVHIIOKBOFU-MSOLQXFVSA-N 368.437 0.751 0 50 FCAA Cc1cccc(OCC(=O)N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 75039338 PTKBVBZTUJSKKJ-INIZCTEOSA-N 359.426 0.713 0 50 FCAA CN(C)S(=O)(=O)CCNc1nccc(-c2cc(C(=O)O)ccn2)n1 77407152 AKGQINNZODMVAF-UHFFFAOYSA-N 351.388 0.540 0 50 FCAA CN1CCN(C(=O)c2nn(C)c3c2CCCC3)C[C@@]12CCNC(=O)CC2 91757028 ABNQOVSPNWZVMT-LJQANCHMSA-N 359.474 0.725 0 50 FCAA O=C(NCCc1cn[nH]c1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 92038553 HAAJNZCWYKTLKD-HNNXBMFYSA-N 361.446 0.320 0 50 FCAA CN(C)[C@@H](C(=O)N1CCN(CCn2cncn2)CC1)c1cccc(F)c1 92065263 AEEWVRTWXJFXFF-QGZVFWFLSA-N 360.437 0.864 0 50 FCAA CN1CCC(Cc2nc(Cn3nc4ccccc4n3)n(CCO)n2)CC1 96139392 BTZRMQJUBHAGMR-UHFFFAOYSA-N 355.446 0.948 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N(C)C)c1)C2 212591413 BHZUWTGVQRPVAS-WBVHZDCISA-N 372.469 0.904 0 50 FCAA CN1C(=O)[C@@H]2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C[C@@H]2C1=O 215047189 JRQSNUSZGQNDNK-PHIMTYICSA-N 351.790 0.251 0 50 FCAA Cc1ccn2c(C(=O)N3CCN(c4ncnc(C)c4C)CC3)nnc2n1 223150247 GEPVJOZKWLWXNI-UHFFFAOYSA-N 352.402 0.802 0 50 FCAA O=C(Cc1cnc[nH]c1=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 223721028 KQPUHLVMSSYSFB-CHWSQXEVSA-N 350.400 0.259 0 50 FCAA CCCn1ccnc1CNC(=O)c1c(OC)cc(=O)n2c1CCNCC2 243901857 BEXVKTVGJQELEK-UHFFFAOYSA-N 359.430 0.539 0 50 FCAA O=C([C@@H]1CNC[C@H](C(=O)N2CCCC2)C1)N1CCN(c2cccnc2)CC1 247793193 PPCFCZSNTQUUKD-SJORKVTESA-N 371.485 0.578 0 50 FCAA CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nn2)C1 298736883 IISVSBLUMZOUPE-CYBMUJFWSA-N 363.443 0.669 0 50 FCAA O=C1CC[C@H](C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)NC(=O)N1 299764083 KELTWNCCEDYNEC-CYBMUJFWSA-N 356.382 0.487 0 50 FCAA Cc1cc(N2CCN(Cc3cc(=O)n4nc(C)cc4[nH]3)CC2)nc(N)n1 334159633 WBDFKAHKEWOAND-UHFFFAOYSA-N 354.418 0.334 0 50 FCAA Cc1cn(C)c(CC(=O)N2CC[C@@](C)(O)C2)c1C(=O)N1CC[C@](C)(O)C1 408368559 JXSAOCTXSADHEO-MOPGFXCFSA-N 363.458 0.456 0 50 FCAA CC(=O)N[C@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1c(F)cccc1F 485828579 BOSLQFKIYKKKTR-OLZOCXBDSA-N 356.325 0.844 0 50 FCAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCO1 886047299 HRHBBTPBKBMPIL-HRCADAONSA-N 361.398 0.346 0 50 FCAA CN(C)CCN1CCN(C(=O)CCCN2CCCCC2=O)CCC1=O 952869959 RBSPHRAOVAJTLN-UHFFFAOYSA-N 352.479 0.402 0 50 FCAA O=C(c1ccnc(-n2cnnc2)c1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704297299 LOTYBQZRNIJCGE-GDBMZVCRSA-N 350.382 0.733 0 50 FCAA Cc1nn(CC(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(=O)c2ccccc12 1857701316 OTZGGDOYPMAEBC-XOKHGSTOSA-N 357.410 0.703 0 50 FCAA CC1=NC(=O)C2(CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)N1 1857724863 QFLCVSARXUOWOO-NSHDSACASA-N 361.427 0.405 0 50 FCAA COCCn1nnc([C@@H]2CN(C(=O)NCc3cccc(F)c3)CCO2)n1 1857736068 JJMFQYDBGFGOMX-AWEZNQCLSA-N 364.381 0.742 0 50 FCAA O=C([C@@H]1CCc2ncnn2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1875245087 JRRSGGFLCNCBTJ-OAHLLOKOSA-N 369.425 0.914 0 50 FCAA NC(=O)c1cccc(OCC(=O)O[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 1875259228 IXAOLPVPVYUZKT-HNNXBMFYSA-N 360.341 0.943 0 50 FCAA CC(=O)N1CC[C@H](NC(=O)c2ncnc(O)c2Br)[C@H](C)C1 1875280419 HWKYVAIEDKCTKZ-APPZFPTMSA-N 357.208 0.931 0 50 FCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCO)CCN3CCOCC3)n[nH]c21 1875393216 APLGSMSPSINEAI-OLZOCXBDSA-N 352.435 0.199 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2coc3ccccc23)N1C 1875399061 NMFUHFKBLKNXKS-WBMJQRKESA-N 354.428 0.793 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)NCCc1ccccc1 1940195689 YWMLRPDHQRMYEZ-LSDHHAIUSA-N 355.460 0.435 0 50 FCAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cccc2ncnn12 2100556963 LLRLAETZJDMKOQ-INIZCTEOSA-N 352.398 0.928 0 50 FCAA CN1CC[C@@H](n2cc(C(=O)NCCn3ncc4ccccc4c3=O)nn2)C1 2325746669 WLUDZHMMCNLDHK-CQSZACIVSA-N 367.413 0.295 0 50 FCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)[C@H]1O 2356140720 OXONQLORRDTMNT-ZWKOTPCHSA-N 372.425 0.774 0 50 FCAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@]34CCCN(CCO)C4=O)cc2n1 2356152026 NDMRVJXMHJGRPB-LJQANCHMSA-N 371.441 0.936 0 50 FCAA O=C1COC2(CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)CN1 2356155300 BHOXCWBVJJKJFF-KRWDZBQOSA-N 357.454 0.984 0 50 FCAA O=C(NCC(=O)N1CCC[C@]12CCCN(CCO)C2=O)c1ccccc1 2356155613 KDAONVZPOSOPPL-IBGZPJMESA-N 359.426 0.392 0 50 FCAA COc1ccc(CCNC(=O)CSc2nc(O)cc(=O)[nH]2)cc1OC 13658256 YWOUFXJYWMPSRU-UHFFFAOYSA-N 365.411 0.944 0 50 FCAA biogenic CC(=O)NCCNC(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14733493 HNDMNWHXFSPSNL-DLBZAZTESA-N 372.469 0.592 0 50 FCAA CN1CC(=O)N(CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)C1=O 42035676 PTNKOPFBBVQFRM-GFCCVEGCSA-N 356.386 0.329 0 50 FCAA CN1CCC2(CC1)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CCN2C 67457854 MAVXAJPCCODKFY-UHFFFAOYSA-N 366.487 0.186 0 50 FCAA CC(C)C[C@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CCNCC2 67833669 LOWHTXGYOKYVFU-AWEZNQCLSA-N 358.446 0.640 0 50 FCAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cc4ncccn4n3)CC2)c1 72425970 NKYNLILXGWWUJT-UHFFFAOYSA-N 354.370 0.950 0 50 FCAA Cn1cc(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)cn1 72426260 SZZJJNPWYFOTIN-CQSZACIVSA-N 360.414 0.738 0 50 FCAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCc2nc[nH]c(=O)c2CC1 77302095 MKHZOJFWTDBFNV-ZDUSSCGKSA-N 371.445 0.135 0 50 FCAA O=C1CC[C@@]2(CCCN(C(=O)Cc3ccc(CO)cc3)C2)CN1CCO 77453660 IRFLNLAEWPWCIB-HXUWFJFHSA-N 360.454 0.945 0 50 FCAA COCC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@H](C)O)cc2C1 77454236 QSCYVSYBROTZOI-LBPRGKRZSA-N 356.444 0.267 0 50 FCAA CCn1cc(S(=O)(=O)NCc2cc3n(n2)CCCN(C(C)=O)C3)cn1 82086748 IHMDSVVQXLTWPL-UHFFFAOYSA-N 366.447 0.330 0 50 FCAA CCC[C@H]1CN(CCO)C[C@@H]1NC(=O)c1cc(C(C)(C)C)[nH]c(=O)n1 91426784 UCYVQCUAPVKQMP-JSGCOSHPSA-N 350.463 0.890 0 50 FCAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccc(CO)o1)CC2 91468951 RWCMZGYZIKCFAJ-CYBMUJFWSA-N 350.415 0.998 0 50 FCAA CC(=O)N[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1c1ccc(C)o1 91664968 QJYDTRKEJUZPDM-GJZGRUSLSA-N 357.476 0.773 0 50 FCAA COc1ccc([C@H]2CN(C(=O)Cn3nc(C)c(C)cc3=O)C[C@@H]2N)cc1 91782123 MOLMDJYHHJJRNM-SJORKVTESA-N 356.426 0.822 0 50 FCAA CCNC(=O)CN1CCN(C(=O)c2cc(O)c3cccc(F)c3n2)CC1 95381989 VVHOWWQOIYHTAM-UHFFFAOYSA-N 360.389 0.973 0 50 FCAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)CN1CCOC1=O)CC2 95509970 JIFICMQOEOVKDH-UHFFFAOYSA-N 361.446 0.948 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)on2)CN1Cc1nccs1 96135963 WIYZRSPYJTVMIH-AAEUAGOBSA-N 363.443 0.949 0 50 FCAA COCCn1nnnc1[C@H]1CN(C(=O)CCc2scnc2C)CCO1 97515018 WNLMXBNRISUQPC-GFCCVEGCSA-N 366.447 0.617 0 50 FCAA NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cnnc2)nc1 97743591 OJVXGCOKMVHGGX-AWEZNQCLSA-N 352.354 0.194 0 50 FCAA Cn1c(=O)[nH]c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)cc2c1=O 106233218 YUNKCEKGCVMCMF-SDDRHHMPSA-N 363.439 0.941 0 50 FCAA CCn1cnnc1[C@H]1CCCN(C(=O)Cn2nnc3ccccc3c2=O)C1 109855034 ACKGVESNJCLLJS-ZDUSSCGKSA-N 367.413 0.809 0 50 FCAA COC(=O)C1=CN(CC(=O)NCc2ccccc2F)S(=O)(=O)N=C1C 169771875 YQWRANGSOYKNLP-UHFFFAOYSA-N 369.374 0.520 0 50 FCAA O=C(CNc1cc2c(cc1Cl)OCCO2)N[C@H]1CCS(=O)(=O)C1 170630862 AKUGKWYAEHIOSE-VIFPVBQESA-N 360.819 0.826 0 50 FCAA Cc1ccc([C@@H](O)CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 193232663 GEPRYGQCOKLPGF-HNNXBMFYSA-N 368.393 0.404 0 50 FCAA Cn1c2c(cc(C(=O)N3CCC[C@H]3C(=O)N3CCOCC3)c1=O)CCCC2 215112317 KYJNRPBCFPXJEH-KRWDZBQOSA-N 373.453 0.728 0 50 FCAA COCC(=O)N1CCN(C)C[C@H]1C(=O)N(C)Cc1nc2ccccc2[nH]1 219160698 ZYRPAJCMSUJKEP-HNNXBMFYSA-N 359.430 0.310 0 50 FCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1 237342764 ARYTWHSUCGUCPP-ZIAGYGMSSA-N 366.487 0.371 0 50 FCAA CSCC[C@@H](CO)NC(=O)CCc1c(C)nc2nc(C)nn2c1O 253535909 VLRAXVDREXEPPO-NSHDSACASA-N 353.448 0.610 0 50 FCAA CN(CC(=O)O)C[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 262869263 CQYBMXUAXQGVNK-LBPRGKRZSA-N 358.341 0.587 0 50 FCAA Cc1cnc2c(Cl)c(C(=O)N3CCCN(S(C)(=O)=O)CC3)nn2c1 299766899 GUHDUOIDEVKGSR-UHFFFAOYSA-N 371.850 0.799 0 50 FCAA CN(CC(=O)NCc1noc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 299776313 NGJWZOOFNWTVDN-JTQLQIEISA-N 370.456 0.533 0 50 FCAA CN1C[C@@]2(CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)OC1=O 299780022 OQFWWXJENFAWHV-OAHLLOKOSA-N 368.415 0.783 0 50 FCAA CS(=O)(=O)CCN1CCN(C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 299797478 NCJXAUNDMULWEM-MRXNPFEDSA-N 365.499 0.702 0 50 FCAA CC(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)nc1 534646530 NYZGGMHXBWKUSS-IAGOWNOFSA-N 374.418 0.839 0 50 FCAA COCCn1cnnc1[C@H](C)NS(=O)(=O)c1cccc2nn(C)nc12 670457958 GFCIPVFCAXVAOL-JTQLQIEISA-N 365.419 0.246 0 50 FCAA O=C(O)C[C@@]1(NC(=O)CNC(=O)Cc2cccc(F)c2)CCCOC1 823344942 NASZMEBZLDWZGG-KRWDZBQOSA-N 352.362 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CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1nc(-c2cccc(C)c2)no1 67433493 LAONOULZYWORHI-KGLIPLIRSA-N 357.414 0.652 0 50 FCAA COc1cccc([C@H]2C[C@@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)c1 71384805 JGSNGIRDQUHTDZ-CABCVRRESA-N 369.443 0.134 0 50 FCAA CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1C[C@@H]1CCCO1 71932712 KNICYLBMAWXPRM-AWEZNQCLSA-N 370.475 0.178 0 50 FCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C)(C)CO)cc1 72143038 ACUFEGVHAWOEKV-MRXNPFEDSA-N 363.458 0.663 0 50 FCAA CCc1nnc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccnc2)o1 72147942 AFUQRHMPNNZCTP-CQSZACIVSA-N 372.429 0.376 0 50 FCAA O=C(O)[C@H]1C[C@@H](C(=O)NCc2cccnc2)CN(C(=O)c2ccc[nH]2)C1 72164025 XAUPSXUMAUNKAT-KGLIPLIRSA-N 356.382 0.889 0 50 FCAA Cc1ccc2nsnc2c1S(=O)(=O)N1CCc2c(nc[nH]c2=O)C1 72169895 MHHRBLWJBNWEMD-UHFFFAOYSA-N 363.424 0.830 0 50 FCAA COc1ccc(CCNC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72428499 YUGARYCPZSUPIN-CVEARBPZSA-N 367.471 0.360 0 50 FCAA COCC(=O)N1CCc2cccc(S(=O)(=O)N3CCN(C)CC3)c2C1 77538001 PFIUXGNCTKOICY-UHFFFAOYSA-N 367.471 0.154 0 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CC(C)NC(=O)CN1CCN(S(=O)(=O)c2cn(C(C)C)cn2)CC1 151514790 JYIUWPAODNELPT-UHFFFAOYSA-N 357.480 0.295 0 50 FCAA CN(C)C[C@@]1(CO)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 219764689 YYYRVKGUHSJYNP-SFHVURJKSA-N 368.499 0.795 0 50 FCAA Cn1ccc(NC(=O)CN2CCC(C(=O)NCc3ccccn3)CC2)n1 243901811 BEGGUVXQCNAMHC-UHFFFAOYSA-N 356.430 0.782 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 244811540 SGNOQXRZYCPJLH-GJZGRUSLSA-N 353.444 0.235 0 50 FCAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)no1 248036171 USLLJFREIXIJSG-OLZOCXBDSA-N 362.430 0.949 0 50 FCAA CN1CC(=O)N(Cc2nnc([C@H]3C[C@H](N)C3)n2C)c2ccccc2C1=O 252538439 NBCHCBUHJCKUQD-HAQNSBGRSA-N 354.414 0.639 0 50 FCAA C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)Nc1ccccc1 265362628 DZXNWNBZFRWTEM-SWLSCSKDSA-N 370.413 0.852 0 50 FCAA O=C1COc2cccc(OCC(=O)N3CCN(C(=O)C4CC4)CC3)c2N1 271579019 BONMPIIKLHVYMF-UHFFFAOYSA-N 359.382 0.477 0 50 FCAA COc1ccc(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)cc1 299752496 UHNGNMMKQMKGEU-ZDUSSCGKSA-N 363.414 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0.719 0 50 FCAA O=C(c1cc(-n2cccc2)ccc1O)N1CCC2(CC1)NCCNC2=O 67869089 USJSJYVUCPEXJD-UHFFFAOYSA-N 354.410 0.877 0 50 FCAA CCCN1CCN(Cc2ccc(OCCO)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72428469 DHMSBAMXLHXVPU-MSOLQXFVSA-N 368.499 0.751 0 50 FCAA Cc1nn(CC(=O)N2CCc3n[nH]cc3C2)c(=O)n1CCc1ccccc1 77408439 KYXLPQXFUPUBNV-UHFFFAOYSA-N 366.425 0.904 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O 77460038 WTFHGXQMZJNOKS-BORJPKMPSA-N 360.414 0.105 0 50 FCAA CN1CCCNC(=O)C12CCN(C(=O)c1cc(=O)[nH]c3ccccc13)CC2 91847577 XDRUYXIUVUJGDC-UHFFFAOYSA-N 368.437 0.955 0 50 FCAA Cn1nc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)ccc1=O 95361029 GNKZMVDVRMHETL-ORAYPTAESA-N 369.377 0.558 0 50 FCAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCCN3CCCC3=O)ccc21 95361219 QZJVPDHHPGHGQK-UHFFFAOYSA-N 371.441 0.762 0 50 FCAA O=C(Cn1ncn2cccc2c1=O)N1CCCN(C(=O)c2ccco2)CC1 95525223 GGVYQMPNYHFGEZ-UHFFFAOYSA-N 369.381 0.464 0 50 FCAA COCCc1nc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)no1 96132470 KGDANWPGXRTEKT-UHFFFAOYSA-N 355.376 0.228 0 50 FCAA COCc1noc(C[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 96142097 JRVVPOJYNSFNCU-NSHDSACASA-N 361.402 0.902 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)CN1C(=O)COCC 96166473 SRVDTADBUUHCNP-RYUDHWBXSA-N 353.444 0.620 0 50 FCAA COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 163744505 ZXERSKSJGAARQA-CVEARBPZSA-N 374.485 0.800 0 50 FCAA CCN(CC)S(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 223674232 AEKYYKQJQDTYIT-HUUCEWRRSA-N 371.459 0.498 0 50 FCAA COCCn1nnnc1[C@H]1CN(Cc2nc(-c3cccnc3)no2)CCO1 244811591 SHLFYYOEAZMXIK-CYBMUJFWSA-N 372.389 0.338 0 50 FCAA CCc1nc2ccccc2n1CC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1 275611978 IQWLIGZPFFRNNK-CQSZACIVSA-N 374.441 0.843 0 50 FCAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1nccnc1O 299800372 WISDCIUFVCTXPU-GBXVCHKXSA-N 365.437 0.480 0 50 FCAA Cn1cnc2c1c(=O)n(CC(=O)N1CCC=C(c3ccco3)C1)c(=O)n2C 370614816 USQUFKPOMGVAQS-UHFFFAOYSA-N 369.381 0.343 0 50 FCAA Cc1csc(SCC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n1 426486114 YFBQZIWMBJOIDU-VXGBXAGGSA-N 372.516 0.183 0 50 FCAA CN(C)C(=O)[C@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CCO1 426490316 NIUFIDWMGCKBKR-OAHLLOKOSA-N 358.402 0.266 0 50 FCAA OC1CN(c2nc(NCCCCN3CCCC3)cc([C@H]3CCOC3)n2)C1 426518288 IGQJAERWANJZRW-HNNXBMFYSA-N 361.490 1.449 0 50 FCAA COc1cc(OC)nc(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)n1 426546239 RPTMGLRFRCGROE-GOSISDBHSA-N 358.398 0.615 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)NCc2nc(-c3ccncc3)n[nH]2)C1 824370239 QXYNBQLQFLAABS-LBPRGKRZSA-N 366.447 0.560 0 50 FCAA CC(=O)N(C)CC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 857994260 ZNWDWVZVCZMYAR-UHFFFAOYSA-N 363.368 0.968 0 50 FCAA Cc1ccccc1OC[C@H](O)C(=O)NCC1(CN2CCN(C)CC2)CC1 952868698 CVPJHMUCFDYMSV-KRWDZBQOSA-N 361.486 0.879 0 50 FCAA CN(C)S(=O)(=O)C[C@H]1CN(CCn2cnc3ccccc32)C[C@@H]1O 1615740148 PXJOCHPGPIWSDR-CJNGLKHVSA-N 352.460 0.220 0 50 FCAA Cc1noc(C)c1CCC(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704327381 CFWNKACWHSYNIJ-KBPBESRZSA-N 351.403 0.468 0 50 FCAA COc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc1OC 1704327852 IFKCCVANOWMHER-NEPJUHHUSA-N 370.427 0.182 0 50 FCAA O=C(O)C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)C(=O)O 1875323264 CUJJMPRKIYKLRG-IUCAKERBSA-N 358.144 0.969 0 50 FCAA Cc1nc(O)cc(C(=O)N2CCC(NC(=O)CC3CSC3)CC2)n1 1875332016 KAZIFHYKGRSGOO-UHFFFAOYSA-N 350.444 0.965 0 50 FCAA N[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)C2(CCC2)C1 1875346401 CPBUWSULFNGRQN-LBPRGKRZSA-N 365.455 0.843 0 50 FCAA CS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1875390169 MJTMBLWJBDCYFG-CYBMUJFWSA-N 360.457 0.304 0 50 FCAA C[C@@H](NC(=O)N[C@@H]1CCNC1=O)c1cc(F)ccc1N1CCOCC1 2325756823 RUASNAACJKGDCW-BXUZGUMPSA-N 350.394 0.911 0 50 FCAA CCn1nc(C(=O)N[C@H]2CNCc3nccn3C2)c(=O)c2ccccc21 2325786380 HDTKMBAPBSCKIE-LBPRGKRZSA-N 352.398 0.515 0 50 FCAA O=C(Cn1cc(Cl)c(O)nc1=O)N1CC[C@](O)(c2cccnc2)C1 2325868700 GZSOQGIYHPAYBL-OAHLLOKOSA-N 350.762 0.117 0 50 FCAA Cn1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)CCO2)n1 2356158141 YELPETZPQRTLQB-LLVKDONJSA-N 361.786 0.765 0 50 FCAA CNS(=O)(=O)CCNC(=O)CCc1nc(-c2ccccc2C)no1 55118983 PPZSCZALCBCMSY-UHFFFAOYSA-N 352.416 0.643 0 50 FCAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)nc1 67472915 QDQJMMCWPVYUFC-HNNXBMFYSA-N 360.458 0.397 0 50 FCAA O=C(Cc1cc(=O)[nH]nc1O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67790373 WGRSYYDHUZJYOZ-QWHCGFSZSA-N 373.365 0.124 0 50 FCAA Nc1nc(CCC(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)n[nH]1 72146095 OPFKJXZBMTUISW-UHFFFAOYSA-N 366.385 0.050 0 50 FCAA Cc1nonc1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 72406886 NMSPQFCFICFDJF-DZGCQCFKSA-N 350.419 0.533 0 50 FCAA Cc1cn(CC(=O)N2CCCC[C@H]2CCc2nccn2C)c(=O)[nH]c1=O 77339768 LRPAQSFJMFLOPQ-AWEZNQCLSA-N 359.430 0.592 0 50 FCAA CC(C)CN1CCn2nc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc2C1 82092201 NBEKBZIYEPEBQN-CQSZACIVSA-N 368.503 0.796 0 50 FCAA Cc1nc(N)nc(C)c1CC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 91410523 MWHQTUVTOOJHEX-QWHCGFSZSA-N 367.475 0.101 0 50 FCAA CCCS(=O)(=O)N1CC[C@@]2(O)CCN(c3cc(N)ncn3)C[C@H]2C1 91444662 MNEGAFKTRUAIPT-WFASDCNBSA-N 355.464 0.062 0 50 FCAA O=C(CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O)N1CCOCC1 91526455 MACXKMXFXUVBIM-ZWKOTPCHSA-N 357.454 0.968 0 50 FCAA Cc1nc(-c2ncc(C(=O)N3C[C@H]4C(=O)N(C)C(=O)[C@H]4C3)c(O)n2)cs1 96131609 ZBBKRVUFIISIDL-AOOOYVTPSA-N 373.394 0.301 0 50 FCAA CSCCc1nc(CCNS(C)(=O)=O)n(C2CCN(C)CC2)n1 96138808 XNNADBIMNBWPMX-UHFFFAOYSA-N 361.537 0.542 0 50 FCAA CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)[nH]n2)c1C 170625387 NOPDFVCADNZJGE-LLVKDONJSA-N 351.432 0.827 0 50 FCAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]21 215023120 LTIGLLGTWMEXTA-KGLIPLIRSA-N 359.492 0.565 0 50 FCAA Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)c(Cl)n1 225426954 GKGLMWPJVRSOQP-LBPRGKRZSA-N 372.878 0.628 0 50 FCAA N[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 237931370 IRNWHPWKMQERNT-MRVPVSSYSA-N 363.233 0.942 0 50 FCAA COCCC1(CNC(=O)[C@@H](CCO)NS(=O)(=O)c2ccccc2)CC1 241132925 JNEJPWOFVWFFFF-OAHLLOKOSA-N 370.471 0.649 0 50 FCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 252523042 BRONDYVCANSXNF-WCQGTBRESA-N 373.866 0.906 0 50 FCAA CN(CCC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)S(C)(=O)=O 252523212 CBOBOMRTWJPXCY-ZNMIVQPWSA-N 355.460 0.161 0 50 FCAA NS(=O)(=O)c1ccccc1N1CCN(C[C@@H](O)CC(F)(F)F)CC1 252569092 VYVISPHGAVYSSC-NSHDSACASA-N 367.393 0.769 0 50 FCAA Cc1ccc([C@@H](CNC(=O)CCNS(C)(=O)=O)N2CCOCC2)o1 299760856 PTPDCVBZYHUACD-CYBMUJFWSA-N 359.448 0.017 0 50 FCAA COc1ccnc(N2CCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2)n1 299785887 OUEZVOBHWTYKIM-LLVKDONJSA-N 365.459 0.144 0 50 FCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)CCc1ccccc1OC 818366251 IUZBXGYFMUJKLX-AWEZNQCLSA-N 357.414 0.685 0 50 FCAA CN(C)[C@@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@@H]1n1ccnn1 859753318 JTSFWGZLEJQLJL-CVEARBPZSA-N 353.434 0.300 0 50 FCAA CN(C)S(=O)(=O)N[C@H]1CCN(CCOc2ccc(F)cc2)C[C@@H]1O 1565526418 UGXOHWIGEXQBKU-GJZGRUSLSA-N 361.439 0.036 0 50 FCAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]2(C(=O)O)C1 1565527264 TUDUREQYQXDQDX-LRDDRELGSA-N 370.402 0.173 0 50 FCAA COc1cccc2c1OCc1cn(nn1)CCCC(=O)N(C)CCNC2=O 1704340886 WWRMAZLTLJXUNL-UHFFFAOYSA-N 373.413 0.848 0 50 FCAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CN3CCCC3=O)C1)CC2 1857713481 LFXMJWMZFLEECV-IBGZPJMESA-N 373.457 0.677 0 50 FCAA Cc1nc2nc(C)c(NC(=O)Cn3c(=O)oc4ccccc43)c(=O)n2[nH]1 1875251058 UKQXCDRQNPHWIV-UHFFFAOYSA-N 354.326 0.581 0 50 FCAA COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1OCC[C@@H]1c1cnn(C)c1 1875392288 FHOQOTQZFLHSMB-NUJGCVRESA-N 366.462 0.098 0 50 FCAA COc1ccc(-c2n[nH]c(NC(=O)c3cc(=O)n(C)c(=O)n3C)n2)cc1 2100555324 QTHWHRGIVFRDNE-UHFFFAOYSA-N 356.342 0.130 0 50 FCAA CS(=O)(=O)[C@H]1C[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 2325810908 NAIPOHDECIDQTN-ULQDDVLXSA-N 366.483 0.827 0 50 FCAA C[C@H](O)C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)C(=O)O 2325851975 OMGOCLUFSFDRON-CPCISQLKSA-N 364.807 0.665 0 50 FCAA N=c1nc(-c2ccccc2)c(C(=O)N2CCC3(CC2)CNC(=O)CO3)c[nH]1 2356145602 DZJSLSKCYYNDSU-UHFFFAOYSA-N 367.409 0.677 0 50 FCAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cnn(-c2ccc(C)c(C)c2)c1 67821960 WRZDZDOFFVBIBI-QGZVFWFLSA-N 355.442 0.926 0 50 FCAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)Nc3ccccc3)nn2)CN1 67964713 JICREQXXOHZWEY-GJZGRUSLSA-N 357.418 0.591 0 50 FCAA O=C(c1cncc(N2CCC(N3CCCC3=O)CC2)n1)N1CCOCC1 71756766 TWBWVWDNHWOYGY-UHFFFAOYSA-N 359.430 0.540 0 50 FCAA CC(C)=CCN1CCN(C(=O)c2cccnn2)[C@H]2CS(=O)(=O)C[C@H]21 72420448 JMTYXXONEHBNID-CABCVRRESA-N 350.444 0.366 0 50 FCAA CN(C)c1ncc(CN2CCOC[C@@H]2CC(=O)N2CCSCC2)cn1 72447143 ZYJPEFOSQNYVQC-HNNXBMFYSA-N 365.503 0.709 0 50 FCAA CC(=O)N[C@@H](CO)C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72474366 SWEZQPBIEWVFQT-AWEZNQCLSA-N 350.371 0.008 0 50 FCAA COc1nccnc1N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77407946 LAVKPWJSMRYERO-UHFFFAOYSA-N 373.461 0.830 0 50 FCAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCn1ccc(=O)[nH]c1=O 77505091 LOOHWONEOCYVFJ-OAHLLOKOSA-N 356.426 0.912 0 50 FCAA CNS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 91304034 IPXAZOZVUWCWPU-AWEZNQCLSA-N 367.471 0.828 0 50 FCAA CCSc1ncc(CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)cn1 91656233 XGILWZPNLROCJK-IAGOWNOFSA-N 365.547 0.876 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)c1=O 91873226 AEKNSOGFIIGUBI-AWEZNQCLSA-N 357.410 0.200 0 50 FCAA CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)ccn1 95359249 MUWQLOSPHONASX-XJKSGUPXSA-N 366.487 0.987 0 50 FCAA O=C(NC1Cc2ccccc2C1)c1cccc(S(=O)(=O)N2CC(O)C2)c1 95366739 IEVZVJOEUXIJPV-UHFFFAOYSA-N 372.446 0.949 0 50 FCAA CS(=O)(=O)NCCNC(=O)Nc1ccc(CCC(=O)NC2CC2)cc1 95497178 VQQQUNRLIGFSJP-UHFFFAOYSA-N 368.459 0.569 0 50 FCAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1 95504198 NIZJALDGVWBEHV-CQSZACIVSA-N 355.402 0.987 0 50 FCAA CCOC(=O)c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 101580556 VHRPKMRRONNPHN-SYQHCUMBSA-N 356.334 0.447 0 50 FCAA c1ncn(Cc2nnc(C3CCN(C[C@@H]4[C@H]5CNC[C@H]54)CC3)n2C2CC2)n1 102661101 WQNOBWIOMXONDC-FVQHAEBGSA-N 368.489 0.898 0 50 FCAA Cc1nc(=O)cc(CCNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)[nH]1 216040366 AORLLMPUQTVDNL-JTQLQIEISA-N 353.382 0.777 0 50 FCAA CC(=O)N[C@H]1CN(C(=O)COc2cccc(-n3cnnn3)c2)C[C@@H]1C(C)C 222168505 MVJWYQBHGJUQCW-SJORKVTESA-N 372.429 0.660 0 50 FCAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1csnc1N)C2 222542891 MQJOPPYKXWMMAC-AWEZNQCLSA-N 373.442 0.783 0 50 FCAA NC(=O)C1=NO[C@H](CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 225611078 DKOOQAYANUOMEE-NSHDSACASA-N 365.365 0.414 0 50 FCAA O=C([C@H]1C[C@H](O)CN1)N1CCN(CCOc2ccc(Cl)cc2)CC1 238096069 RFLNIKCORUQHHQ-GOEBONIOSA-N 353.850 0.586 0 50 FCAA OC[C@@H]1O[C@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@H](O)[C@@H](O)[C@H]1O 239309923 HYAPWJKIBHNHTO-NGDQXYMTSA-N 355.721 0.066 0 50 FCAA CCCNS(=O)(=O)c1ccc(C(=O)NCCc2n[nH]c(N)n2)cc1 243892561 AIVBYNXQSFFNQL-UHFFFAOYSA-N 352.420 0.048 0 50 FCAA O=C([C@@H]1CCCCN1C(=O)C1CC1)N1CCN(CCn2cncn2)CC1 252500601 SYVJBHTXKHOIEJ-INIZCTEOSA-N 360.462 0.213 0 50 FCAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCN(C[C@H]4CCCO4)CC3)nn2)CC1 252667380 CXLKKHXHIQXFGB-OWCLPIDISA-N 362.478 0.657 0 50 FCAA COc1cc2ncn(CC(=O)NCCn3cccn3)c(=O)c2cc1OC 253412012 PPYZLLYCXZDBNN-UHFFFAOYSA-N 357.370 0.427 0 50 FCAA NC(=O)c1cncc(NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)n1 299769506 NMDJQVAOSJKKNM-UHFFFAOYSA-N 355.402 0.526 0 50 FCAA Cc1ccc2c(c1)c(C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1)nn2C 299772341 YYBGGTALEHXQPW-GFCCVEGCSA-N 366.443 0.272 0 50 FCAA Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O)CC2 332883152 IAVZWSMZEHBFLO-JHJVBQTASA-N 369.491 0.144 0 50 FCAA CN1CCC(N2CC[C@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)CC1 369278866 TTWHRNFAKXAFCU-INIZCTEOSA-N 369.473 0.490 0 50 FCAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 408071595 OBDHZYOLHUAHPI-RFQIPJPRSA-N 352.522 0.792 0 50 FCAA Cc1nn(CCC(N)=O)c(C)c1-c1ccc(C(=O)N[C@H]2COC[C@@H]2O)cc1 534577686 YGHDWDUOJXLCJY-HOTGVXAUSA-N 372.425 0.532 0 50 FCAA CC(=O)Nc1ncc(S(=O)(=O)NC(=O)CCCNC(=O)C2CC2)s1 788067825 FHAKIYGRNRZBQD-UHFFFAOYSA-N 374.444 0.213 0 50 FCAA O=C(O)[C@@]1(N2CCN(Cc3nnnn3-c3ccccc3)CC2)CCOC1 886071768 HALGKEGJWSUOHP-QGZVFWFLSA-N 358.402 0.024 0 50 FCAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)[C@@H]1CCCN(CC(N)=O)C1 952961885 KUUGASVRCPAZST-OAGGEKHMSA-N 353.463 0.440 0 50 FCAA CNC(=O)c1ccc(CN2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)o1 1565515744 AIRFXPJWJIPVAU-KGLIPLIRSA-N 372.491 0.492 0 50 FCAA COc1cc(C)c(CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)cc1C 1565528999 KMSNPTKPFRPZSS-HOTGVXAUSA-N 371.503 0.643 0 50 FCAA CCn1cc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c(C)n1 1857707769 JDGJVAJITHSVPY-SOUVJXGZSA-N 356.492 0.987 0 50 FCAA Cc1c(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cnn1-c1ccccn1 1875249271 NOWCVVSQSUPOQB-KGLIPLIRSA-N 355.398 0.505 0 50 FCAA Cn1c2c(c(O)nc1=O)N[C@]1(CC(c3ccc(F)cc3F)=NN1)C(=O)N2 1875320770 KIXFYMJSNBAUHC-HNNXBMFYSA-N 362.296 0.222 0 50 FCAA CS(=O)(=O)N[C@H](Cc1cc(Br)c(O)c(F)c1F)C(=O)O 1875340382 YONGAVIPCSSLFS-ZCFIWIBFSA-N 374.159 0.978 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@H](C(=O)OC)Cc3c2cnn3C)C1 1875382319 XYDWKSIYSAUSKY-QWHCGFSZSA-N 360.414 0.523 0 50 FCAA COC(=O)[C@H](C)Oc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 1149220 ZAMZAOVBXHFULP-VIFPVBQESA-N 363.378 0.526 0 50 FCAA Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCO 9060498 QQVKJFLCOSCZDX-UHFFFAOYSA-N 367.409 0.807 0 50 FCAA COc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCOCC1 16649710 CXHNUZOASVYJRX-UHFFFAOYSA-N 367.383 0.956 0 50 FCAA CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(CCc2ccccc2)C1=O 20327259 RCEXDMSLKSDCNR-KGLIPLIRSA-N 350.440 0.980 0 50 FCAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1 30828551 HLGVQQCRRVQWLT-YHYXMXQVSA-N 366.395 0.982 0 50 FCAA O=C(c1ccoc1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72419860 ZOLRJLIZMFJRBX-CVEARBPZSA-N 361.423 0.798 0 50 FCAA CCOCCC(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72424385 GTXQRKAKWDIEAK-CVEARBPZSA-N 367.471 0.318 0 50 FCAA Cc1nnnn1CC(=O)Nc1nn(C)c2cccc(N3CCOCC3)c12 72463262 SFZHZILFGAELLF-UHFFFAOYSA-N 356.390 0.344 0 50 FCAA Cn1ncc(N2CCC(CNC(=O)[C@@H]3CC34CCNCC4)CC2)cc1=O 77470071 DHRWLOCQPYQTGA-INIZCTEOSA-N 359.474 0.503 0 50 FCAA CC(C)CN1CCN(C(=O)CCc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 77471601 NPFBSPMFEWTDRL-SJORKVTESA-N 365.499 0.980 0 50 FCAA Nc1nc(CCC(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)cs1 77503263 XERKXKFHGAIITG-MRXNPFEDSA-N 354.476 0.344 0 50 FCAA O=S(=O)(c1ccc(CN2CCOC[C@@H](CO)C2)cc1)N1CCOCC1 77564551 WQEMNRYAYPBIAS-MRXNPFEDSA-N 370.471 0.148 0 50 FCAA CCN(C(=O)c1coc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 91664943 DNUJWOQICZFPSB-AWEZNQCLSA-N 356.444 0.761 0 50 FCAA CN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95373738 ZVFWAWFINJZKBR-AWEZNQCLSA-N 368.455 0.816 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)COCc1ccccc1)C2 95497725 MDIVCAFUGDZMLP-DLBZAZTESA-N 373.453 0.741 0 50 FCAA O=S1(=O)C[C@@H](O)[C@H](NC2CCN(c3ncnc4ccsc34)CC2)C1 95505408 MUYFQNXCAKMMQC-CHWSQXEVSA-N 368.484 0.408 0 50 FCAA CCn1cc(NC(=O)N2CCN(CCN3CCOCC3)CC2)c(C)n1 97711672 BJSFIJZOONZUKN-UHFFFAOYSA-N 350.467 0.693 0 50 FCAA Cc1ccc(CN2CCN(Cc3cc(=O)n4ncnc4[nH]3)C[C@H]2CCO)o1 106952422 BKEWFQVEFNENAS-OAHLLOKOSA-N 372.429 0.388 0 50 FCAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccn2nnnc2c1 220758139 VMGFJPBLICTJLE-HUUCEWRRSA-N 354.370 0.623 0 50 FCAA Cc1nc(CC2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)no1 222311709 JHDCRIZUNRGFHS-ZDUSSCGKSA-N 356.448 0.583 0 50 FCAA C[C@@H](O)CN1CCN(c2ncnc3ccc(S(C)(=O)=O)cc23)CC1 239722521 CDCKJOAYIUXIHO-GFCCVEGCSA-N 350.444 0.536 0 50 FCAA Cc1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n([C@H]2CCS(=O)(=O)C2)n1 252458567 TVDPGZJSODVACJ-IHRRRGAJSA-N 370.475 0.599 0 50 FCAA Cn1cc(-n2cc(C(=O)N[C@H]3CCN(c4ccccn4)C3)ccc2=O)cn1 273820215 OKDMQINZPCAYIW-HNNXBMFYSA-N 364.409 0.975 0 50 FCAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)N[C@@H](COC)C2CC2)cn1 275562457 IIKDTPNQVNDBFK-LSDHHAIUSA-N 370.475 0.809 0 50 FCAA NCCCOc1ccc(F)cc1C(=O)N1CCN(Cc2nnc[nH]2)CC1 299755000 BHGBCNXZJRIMMA-UHFFFAOYSA-N 362.409 0.629 0 50 FCAA Cn1nncc1S(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 328844759 RGSOWWOXUGIAHD-UHFFFAOYSA-N 357.386 0.994 0 50 FCAA CCN1CCN(CC(=O)N2CCOC[C@H]2c2nc(C)cs2)C(=O)C1=O 373532492 IIOMIHCVHCWYMU-LBPRGKRZSA-N 366.443 0.042 0 50 FCAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(C(=O)Cn1cnnn1)CC2 426549882 GEOWEVZHJRRGAL-JKIFEVAISA-N 358.402 0.686 0 50 FCAA CN(C)c1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cncn2C)ccn1 952852505 CMTKKLRJTLMZEI-RDJZCZTQSA-N 358.446 0.683 0 50 FCAA Cc1ncc(CO)c(CN2CCC(N3CCN(CCO)CC3)CC2)c1O 952871817 CJXCEVJMQFRYQY-UHFFFAOYSA-N 364.490 0.162 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)C1 952975007 LBBOFIZUAIYAQG-MSOLQXFVSA-N 373.501 0.922 0 50 FCAA O=C(CN1CCCCC1=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565507616 JFNUPRSSYXHWOZ-KBPBESRZSA-N 353.444 0.946 0 50 FCAA O=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cccc3c1OCCO3)C2 1772707676 SRXZPDPHWDQBMH-BZNIZROVSA-N 369.395 0.570 0 50 FCAA CN1CCC2(CC1)CN(C(=O)[C@@H](c1ccccc1)n1cnnn1)CCO2 1772809012 IYEPCRRQLODDHU-MRXNPFEDSA-N 356.430 0.586 0 50 FCAA Cc1cccnc1CN1CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)CC1 1857681652 IBJCIMCBVOXEKP-UHFFFAOYSA-N 353.390 0.047 0 50 FCAA COc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1C 1875240568 BVVBAPNHWGZZPT-UHFFFAOYSA-N 359.386 0.510 0 50 FCAA O=C(N[C@]12CCCCC[C@H]1N(C(=O)Cn1cnnn1)CC2)c1cocn1 1875405007 KBDWIQZBWPFCOO-CJNGLKHVSA-N 359.390 0.395 0 50 FCAA CN(C(=O)c1ccn(C(F)F)n1)C1CC(NC(=O)[C@@H]2CCOC(=O)N2)C1 2325828487 IKJHZBXIELWVRT-RTBKNWGFSA-N 371.344 0.496 0 50 FCAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3nc(=O)n(C)[nH]3)O2)CC1 2356155316 BRYNBNOYJWEGSF-AWEZNQCLSA-N 363.462 0.818 0 50 FCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](c2nnn(C)n2)C1 2356160099 CXYVPJNFQBWWBX-LLVKDONJSA-N 373.822 0.634 0 50 FCAA CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)ccc3F)CN2C1=O 14745625 RPKNMHHTFZXLBI-LEWSCRJBSA-N 351.353 0.819 0 50 FCAA COc1ccc(CCN2C[C@H](NC(=O)c3cc[n+]([O-])cc3)CC2=O)cc1 14977659 UOROSMCWYGYGNW-MRXNPFEDSA-N 355.394 0.902 0 50 FCAA COC(=O)c1cc2n(n1)CCN(c1nccc(N3CCC(O)CC3)n1)C2 65388063 DOKBXSKQHTZJLH-UHFFFAOYSA-N 358.402 0.441 0 50 FCAA COc1cccc2c1NC(=O)C[C@H]2C(=O)N1CCc2c(nc[nH]c2=O)C1 71763011 RNXXBNBNDZWQKX-GFCCVEGCSA-N 354.366 0.789 0 50 FCAA Cc1ccc(CN2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2=O)cc1C 72422677 NDVCJPHIQNFXKJ-CQSZACIVSA-N 358.398 0.072 0 50 FCAA CS(=O)(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCCNC3)CC1 72440205 OIBQNPBMPOHOMH-UHFFFAOYSA-N 364.475 0.836 0 50 FCAA COc1cccc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2=O)c1 77287781 QIKMENATPWAOOZ-UHFFFAOYSA-N 355.394 0.879 0 50 FCAA O=C(N[C@@H]1CCN(C(=O)COc2cccc(F)c2)C[C@H]1O)c1ccccn1 77300976 QZLJCGTUHPOSLU-NVXWUHKLSA-N 373.384 0.991 0 50 FCAA Cc1ncc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)n1 77340310 MPQRJOHXZCBFJQ-CVEARBPZSA-N 366.487 0.673 0 50 FCAA O=C(c1ccc(Cn2ccnc2)o1)N1CCN(CCn2cncn2)CC1 91416892 WZVSDJOCGBEEOP-UHFFFAOYSA-N 355.402 0.574 0 50 FCAA CNC(=O)[C@@H]1C[C@@H](NC(=O)CCCc2nc(-c3ccncc3)no2)CN1C 95496565 GSEBCMRHYWDVEQ-KGLIPLIRSA-N 372.429 0.389 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2c(C)noc2C)CN1CCOC 96159753 AITPEKPAOBRMCW-HOCLYGCPSA-N 366.462 0.566 0 50 FCAA Cc1sc(-n2cnnn2)c(C(=O)N2CCN3CCN(C)C[C@H]3C2)c1C 106250648 IZDXPRAXWKJXCV-ZDUSSCGKSA-N 361.475 0.412 0 50 FCAA O=C([C@H]1C[C@H](O)CN1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 167725233 UIDIHYBQTOYUFK-JKSUJKDBSA-N 353.426 0.515 0 50 FCAA COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 170609322 KALASNQQBBVFER-OPQQBVKSSA-N 373.475 0.859 0 50 FCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CN(C)Cc1ccccn1)C2 212723190 WSDDJPLXWFQLPI-WBVHZDCISA-N 360.458 0.609 0 50 FCAA COc1ccc(-n2ccnc2CN2CCN(S(N)(=O)=O)CC2)cc1 215361611 GYJUQGLJYPJPMW-UHFFFAOYSA-N 351.432 0.202 0 50 FCAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)CCN1CCCCO1)C2 222611864 LTKPJYGKAIJADQ-INIZCTEOSA-N 351.451 0.238 0 50 FCAA CS(=O)(=O)N1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 244893095 YVPRJVXLSIPHBA-SFHVURJKSA-N 367.515 0.855 0 50 FCAA NC(=O)CCN(Cc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1 261558954 QWQBIZPSOUNDOS-UHFFFAOYSA-N 356.430 0.720 0 50 FCAA C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1 275623220 JGJPQFUXQRIGFJ-WFASDCNBSA-N 354.378 0.837 0 50 FCAA O=C(O)CN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C1CCOCC1 299748774 ICWVWLIFBVUHRZ-VIFPVBQESA-N 352.309 0.489 0 50 FCAA Cc1ccc(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)c(F)c1 299750155 MPZZFQXOSNGLNH-ZDUSSCGKSA-N 365.405 0.962 0 50 FCAA Cn1nnc2c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)ccnc21 328821236 RBLIOHZCNZDCOL-UHFFFAOYSA-N 352.280 0.630 0 50 FCAA CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCc3sccc3C2)c1 332241223 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Cc1ccnc(SCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)n1 222708372 CFIVBEZPMWYOHE-AWEZNQCLSA-N 363.443 0.532 0 50 FCAA COc1cc(NC(=O)CN2CCN(c3nccnc3O)CC2)cc(OC)c1 253536317 CWLBHFGZHCISEF-UHFFFAOYSA-N 373.413 0.960 0 50 FCAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 268975977 KBZVJACYFMPDMX-SNVBAGLBSA-N 367.301 0.906 0 50 FCAA CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@H](CC(=O)O)C2)CC1 299752032 SLIYVTKUYHZJMD-WXRRBKDZSA-N 362.448 0.187 0 50 FCAA Cc1nc(CC(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)cs1 299796194 MXMUTHSYQLEENX-UHFFFAOYSA-N 369.472 0.282 0 50 FCAA NC(=O)[C@H](c1ccc(F)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1 368421992 JMBNNRQIILKXOH-HNNXBMFYSA-N 355.435 0.898 0 50 FCAA COCCn1nc(C)c(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1C 373874254 ZDKDIKAKGBUYEO-IGNRKKQASA-N 362.430 0.313 0 50 FCAA NCCCOc1ccc(F)cc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 426633786 FHUKKTAGADEVRE-NSHDSACASA-N 359.423 0.304 0 50 FCAA O=C(NCc1cc2n(n1)CCN(S(=O)(=O)c1cn[nH]c1)C2)C1CCC1 534640892 RILPXPCORCEQJR-UHFFFAOYSA-N 364.431 0.227 0 50 FCAA COc1ccc(C(N)=O)cc1-c1ccc(C(=O)N[C@@H]2CNC[C@H]2O)cc1 584885935 MPOYIVISNNUYJV-HZPDHXFCSA-N 355.394 0.524 0 50 FCAA Cc1nnc2n1C[C@@H](C(=O)N1CCC(O)(c3ccccc3)CC1)N(C)C2 818851991 NKRJXVZJJZNOQW-INIZCTEOSA-N 355.442 0.911 0 50 FCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1c(C)cccc1=O)C2 1073283909 XLPDKPZTIZDMFJ-CVEARBPZSA-N 361.442 0.643 0 50 FCAA Cc1nc[nH]c1C(=O)N1CCCN(C(=O)c2ccc3nn[nH]c3c2)CC1 1529191035 SCXUIRRECBNOCT-UHFFFAOYSA-N 353.386 0.978 0 50 FCAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(-n2cnnn2)n[nH]1 1857680333 KWZPFFQBGBXRGL-UHFFFAOYSA-N 351.330 0.708 0 50 FCAA COCCn1nnc([C@H]2CN(Cc3noc(-c4ccccc4)n3)CCO2)n1 1875250610 QMDIETMCKKUFIX-CQSZACIVSA-N 371.401 0.943 0 50 FCAA Cc1nc(N2CCN(C(=O)c3c4c(nn3C)[C@H](C)O[C@H](C)C4)CC2)n[nH]1 1875314784 SEWRXTMHEUFXGU-MNOVXSKESA-N 359.434 0.831 0 50 FCAA CCc1cccc(C(=O)NC[C@H](CO)Nc2ncc(Cl)c(O)n2)n1 1875333135 CMMFRJCUSVCFPW-SNVBAGLBSA-N 351.794 0.996 0 50 FCAA O=C1CC2(CCNCC2)[C@H](C(=O)NCc2cc3c(nc2O)CCC3)CN1 1875336548 BGYXLKSQTQYUQX-AWEZNQCLSA-N 358.442 0.398 0 50 FCAA Cc1cc(C)n2ncc(C(=O)NC[C@@H](C)CNC(=O)c3cn[nH]c3)c2n1 1875339834 ZWARKKNZVXWXGP-JTQLQIEISA-N 355.402 0.865 0 50 FCAA COC12CCC(c3cn([C@@H](C)CNC(=O)Cn4ccnn4)nn3)(CC1)C2 1875408425 WJGBPGRDVNETRF-IGEOTXOUSA-N 359.434 0.848 0 50 FCAA O=C(Nc1nccs1)C1CCN(C(=O)C2=NN3CCCN=C3N2)CC1 2325753504 RSFLBNLQGGMLNP-UHFFFAOYSA-N 361.431 0.299 0 50 FCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN[C@@H](CC(F)F)C1 2325792152 GKZDBTKLKIHHGK-JTQLQIEISA-N 373.381 0.287 0 50 FCAA C[C@@H](CO)N1C(=O)C[C@@H](N2CCN(c3cccc4cc[nH]c34)CC2)C1=O 2325804990 HGPHZUGIHRRMBE-XJKSGUPXSA-N 356.426 0.798 0 50 FCAA CCn1ncc(C(=O)NC)c1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 2356138476 MXFRQMFAGUJICI-UHFFFAOYSA-N 364.427 0.847 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1OCCN)C2 2356163741 PGCZYGIGIDUIRZ-GTNSWQLSSA-N 368.817 0.939 0 50 FCAA CCOC(=O)C1=C(Cn2cncn2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4727530 OVUCPXJGSIAKGJ-OAHLLOKOSA-N 371.353 0.878 0 50 FCAA COCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O 5459177 BZRCDXJZYWDYBF-UHFFFAOYSA-N 369.425 0.953 0 50 FCAA CC1CCN(Cc2nnnn2CCCC(=O)NCCc2cnn(C)c2)CC1 11997975 JDFKACUDIRUSAZ-UHFFFAOYSA-N 374.493 0.778 0 50 FCAA C[C@H]1C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N1C 14534575 DIRCSEPQQSYBJK-GXFFZTMASA-N 371.846 0.402 0 50 FCAA COC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 71375634 COYUXMVKQDLHBI-CQSZACIVSA-N 369.487 0.529 0 50 FCAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)CNC(N)=O)C2 71752582 YFHZZDDPJSMEBP-UHFFFAOYSA-N 355.402 0.158 0 50 FCAA Cn1ncc2c(N3CCCN([C@H]4COC[C@@H]4O)CC3)nc(C(C)(C)C)nc21 72145816 UCMMNBMXKOUMDM-GJZGRUSLSA-N 374.489 0.933 0 50 FCAA COc1cccc(OCC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77357973 ZMJSLONLZDEEJM-CABCVRRESA-N 354.428 0.014 0 50 FCAA Cc1cc(=O)n(CC(=O)NCc2cc3n(n2)CCN(CC(C)C)C3)nc1C 82096988 WBLGVFOSZQOVBL-UHFFFAOYSA-N 372.473 0.845 0 50 FCAA O=C1CCCCCN1CC(=O)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91305112 TUROOXSMBVETMT-SJORKVTESA-N 351.491 0.942 0 50 FCAA O=C(CCc1cc2n(n1)CCCN(Cc1ncc[nH]1)C2)N1CCOCC1 91769093 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Cc1cccc2nc(CN3CCC4(CC3)C(=O)NCCCN4C)cc(=O)n12 244795108 QZQANGWGBJDXTE-UHFFFAOYSA-N 369.469 0.789 0 50 FCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-n3cnnc3)n1)C2 247885495 RMEYLFCIKPHZHS-KGLIPLIRSA-N 370.413 0.372 0 50 FCAA CS(=O)(=O)CCN1CCN(C(=O)Cn2ncc3ccccc32)CC1 252484943 GKVMSDYXCCOIRF-UHFFFAOYSA-N 350.444 0.225 0 50 FCAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2nnc(CC)s2)[C@@H]3C1=O 299777413 MWFBOVOULSRCRJ-JAMKOXHTSA-N 362.455 0.909 0 50 FCAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(S(=O)(=O)c1cnn(C)c1)CC2 299788854 YDZFBJXPQNQQKC-VHDGCEQUSA-N 359.448 0.130 0 50 FCAA O=C(NCc1noc(C2CC2)n1)N1CCC[C@H](N2CCCS2(=O)=O)C1 333144900 KXFBVRCHOPCWDE-LBPRGKRZSA-N 369.447 0.657 0 50 FCAA Cc1cnn(CC(=O)N[C@H]2CCOC[C@H]2Nc2cc(N(C)C)ncn2)c1 952888978 TVIZPVXBIFYDCK-UONOGXRCSA-N 359.434 0.433 0 50 FCAA CN(CC(=O)N1C[C@H]2COC[C@@H](C1)CN2CC(=O)O)Cc1ccccc1 1704333657 BXEJYGMAZYRCPR-SJORKVTESA-N 361.442 0.362 0 50 FCAA O=C(NCCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1)c1ccc(F)cc1 1704357299 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CN(C1CCNCC1)S(=O)(=O)NC12CC(N3CCCCC3=O)(C1)C2 1875299015 VWIVJMOAXMNQTR-UHFFFAOYSA-N 356.492 0.192 0 50 FCAA C[C@H](Cn1cccn1)NC(=O)c1ccc(N[C@H](CO)c2ccnn2C)nc1 1875360995 NAPHZSQWGSLSRA-UKRRQHHQSA-N 369.429 0.976 0 50 FCAA Cc1cnc[nH]c1=NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325897646 CEHDCAWHPVKWQK-HNNXBMFYSA-N 365.393 0.580 0 50 FCAA O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 4872744 CMIQBYJOEXDDIT-ZCFIWIBFSA-N 367.246 0.834 0 50 FCAA CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(CCc2ccccc2)C1=O 20327253 RCEXDMSLKSDCNR-KBPBESRZSA-N 350.440 0.980 0 50 FCAA COCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 59749072 OYICJAXMHXYRNT-UHFFFAOYSA-N 355.416 0.158 0 50 FCAA CCOC(=O)N1CCN(C(=O)c2cn(C[C@H]3CCCNC3)nn2)CC1 65383560 JJZPOYKMNDOKEN-ZDUSSCGKSA-N 350.423 0.192 0 50 FCAA COc1cc(CN2CCN(c3cc(O)nc(N)n3)CC2)cc2c1OCO2 65397319 OKDABWPEONUQRU-UHFFFAOYSA-N 359.386 0.824 0 50 FCAA Cn1nc(C2CCN(C(=O)c3cc(N)[nH]n3)CC2)n(-c2ccccc2)c1=O 67772317 ODGUCSOCIHKTSP-UHFFFAOYSA-N 367.413 0.896 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CNC(=O)C1CCC(CC)CC1 67867992 PNPXKFUJINQXJB-CVSAEHQPSA-N 352.479 0.383 0 50 FCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H]1CNCCO1)C2 72162298 URVGVUGXFLQWGA-INIZCTEOSA-N 368.441 0.478 0 50 FCAA Nc1nc2c(c(NCc3ncc[nH]3)n1)CCN(C(=O)[C@H]1CCCO1)CC2 72419219 OCZZCEPAKXBDJS-CYBMUJFWSA-N 357.418 0.500 0 50 FCAA Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)cc(N2CCOCC2)n1 72474252 XFTAFHZNHDIDRO-AWEZNQCLSA-N 361.446 0.593 0 50 FCAA COc1ccc(CN2CCN(C(=O)c3cccn(C)c3=O)CC2=O)cc1 77337719 TXUGKUOCQJFFEN-UHFFFAOYSA-N 355.394 0.879 0 50 FCAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91289369 DBGIEPXKWSDUIZ-UHFFFAOYSA-N 374.441 0.247 0 50 FCAA Cc1nnsc1C(=O)N1C[C@@H](CO)C[C@H](CN2CCCN(C)CC2)C1 91817511 SDALTEUBTWGUNL-CABCVRRESA-N 367.519 0.555 0 50 FCAA COCC(=O)N1CC[C@]2(O)CCN(Cc3nncn3C(C)C)C[C@@H]2C1 95359593 AHQKZJCIISQLQF-RHSMWYFYSA-N 351.451 0.291 0 50 FCAA Cc1nccn1Cc1nnc([C@H]2CCCN(c3cc(N)nc(N)n3)C2)n1C 95384801 PKNXUTPWVFHUNC-LBPRGKRZSA-N 368.449 0.707 0 50 FCAA 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350.463 0.971 0 50 FCAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN([C@H]3CCOC3)C(=O)C2)cc1 1875380836 BSXTWESIXNBJMJ-INIZCTEOSA-N 357.410 0.909 0 50 FCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](n3nnnc3C(F)(F)F)C2)C1 1875381952 MCBYTEPEQODMDG-MNOVXSKESA-N 372.351 0.890 0 50 FCAA C[C@H]1CN(c2ncnc3c2COC3)C[C@H]1NC(=O)c1cnc2n1CCC2 1875405125 ULEBGYDUGILGNV-WCQYABFASA-N 354.414 0.904 0 50 FCAA CC1(C)[C@@H](Nc2cc(C(N)=O)ncn2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1875405667 LOSXWRJMMLPLQR-NBUWXKEQSA-N 359.430 0.838 0 50 FCAA CNC(=O)c1cn2c(n1)CCN(Cc1cn(-c3ccccc3)nn1)CC2 1940196036 FOPQBKCGSUKHLQ-UHFFFAOYSA-N 351.414 0.882 0 50 FCAA Cc1ccn2cc(C(=O)OC[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)nc2c1C 2325790810 MSOJALFLFYDDOY-KBPBESRZSA-N 356.382 0.597 0 50 FCAA COc1cccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2ncnn32)c1OC 4742478 HTUXPWDNWCCILC-SNVBAGLBSA-N 355.354 0.919 0 50 FCAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1C[C@H](C)C[C@@H](C)C1 7425499 HLXHMZOXIQBKIK-VXGBXAGGSA-N 358.446 0.962 0 50 FCAA 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COc1ccccc1N1CC[C@@H](NC(=O)NCCN2C(=O)CNC2=O)C1 268103147 IEQSEOCSOAUNBJ-GFCCVEGCSA-N 361.402 0.125 0 50 FCAA CC(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)cn1 274443318 IKALVZSKUCTCAS-UHFFFAOYSA-N 364.431 0.470 0 50 FCAA C[C@@]1(c2cccc(C(=O)N3CCOCC(F)(F)C3)c2)NC(=O)NC1=O 290669940 PHAPDMCKKHSQGK-HNNXBMFYSA-N 353.325 0.849 0 50 FCAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)Cn1cnnc1O)CC2 333098142 DZSFQXSVWZNIAO-LBPRGKRZSA-N 362.459 0.953 0 50 FCAA NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)c2c(c1)OCO2 367540864 BJNLWVUUXLMPCA-VIFPVBQESA-N 357.160 0.504 0 50 FCAA O=C(CCc1nc(-c2cccnc2)no1)N1CCN(c2nc[nH]n2)CC1 426488402 VGENVSBDKPOUPC-UHFFFAOYSA-N 354.374 0.531 0 50 FCAA COc1ccc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)cc1OCCN 426595116 XSHYFZFFVNITMC-UHFFFAOYSA-N 358.398 0.591 0 50 FCAA NC(=O)[C@@H]1CCCN(CCNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1 426604254 HJNJAQRBPBSHEC-CYBMUJFWSA-N 364.421 0.796 0 50 FCAA CCS(=O)(=O)c1cccc(S(=O)(=O)NCCNc2cnccn2)c1 471299535 BGOHATWAZYLNEN-UHFFFAOYSA-N 370.456 0.661 0 50 FCAA 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Cc1nc([C@@H]2CCCN(C(=O)Cn3nc(C)c(C)cc3=O)C2)cc(=O)[nH]1 82087945 NZOQUSWILFKTEK-CQSZACIVSA-N 357.414 0.658 0 50 FCAA CC(=O)N[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1c1ccccc1 91476614 FILNYMIFYROTQM-SJORKVTESA-N 353.488 0.872 0 50 FCAA COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2c(C)nn(C)c2C)C1 91644208 OPQHEFOKKMZDTH-CVEARBPZSA-N 352.479 0.686 0 50 FCAA CSCC[C@H](O)C(=O)N1CCn2nc(CCC(=O)NC(C)C)cc2C1 91808953 HOEHOCAVBRKSIS-HNNXBMFYSA-N 368.503 0.797 0 50 FCAA CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3=O)cs1 95378773 JFTLKNNYQFSRIU-VHSXEESVSA-N 357.457 0.349 0 50 FCAA Cn1c(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)cc(=O)n(C)c1=O 95525617 FPDOPJDVJRJKQD-CYBMUJFWSA-N 363.439 0.967 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccnc2)CN1C(=O)CCOCC 96180408 AMOHKVWGLZKBBV-GJZGRUSLSA-N 362.430 0.344 0 50 FCAA CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)co1 154668636 WJJACGNXFKRRNS-GFCCVEGCSA-N 366.443 0.968 0 50 FCAA C[C@@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1 215206738 XXWGNLPNQXBYEB-GFCCVEGCSA-N 364.427 0.587 0 50 FCAA COc1cc2c(cc1CN1C[C@H](O)[C@@H](N3CCOCC3)C1)OCCO2 215299317 QLJPAULWNAVEQA-GJZGRUSLSA-N 350.415 0.344 0 50 FCAA Cc1ccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c(F)c1 248117202 SYXNOCCKANEECL-BBRMVZONSA-N 356.419 0.912 0 50 FCAA COCCn1nnnc1[C@@H]1CN(CC(=O)NC2CCCCC2)CCO1 252485639 HAVSQCGIBAYYJA-AWEZNQCLSA-N 352.439 0.142 0 50 FCAA C[C@](O)(CNC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)C(=O)O 262417122 QJGYHVMYURZYCO-INIZCTEOSA-N 373.427 0.591 0 50 FCAA Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)C2)n[nH]1 268469496 GZRSMTXKUGKUSE-SNVBAGLBSA-N 352.420 0.119 0 50 FCAA COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)O 275152582 YYIUMURVLOXBPZ-ONGXEEELSA-N 373.383 0.140 0 50 FCAA Cc1occc1C(=O)NCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 331571885 DIFDHXSQEAOXKC-WCQYABFASA-N 357.432 0.152 0 50 FCAA CCCCS(=O)(=O)N1CCC(C(=O)N2CCCn3nnnc32)CC1 331810122 MFAIBZSUPWXTIJ-UHFFFAOYSA-N 356.452 0.252 0 50 FCAA CCOC(=O)C1CCN(C(=O)CN[C@H]2CCC(=O)NC23CCC3)CC1 368537433 IGOBPAYBORZZMN-AWEZNQCLSA-N 351.447 0.579 0 50 FCAA O=C(O)[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)Cc2ccccc21 374178147 VGUYLHDIGQYZBB-CQSZACIVSA-N 352.350 0.707 0 50 FCAA NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 426739994 ZPJOZQBWOIPVQQ-NSHDSACASA-N 364.431 0.292 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2cnn(-c3ccccc3)n2)C1 886088643 MCWMZNOKEHUVOC-SFHVURJKSA-N 353.430 0.965 0 50 FCAA CCc1cccc(NC(=O)CCC(=O)N2CCN3CCNC(=O)[C@@H]3C2)c1 952870190 WUMZJUYNUKVWAP-INIZCTEOSA-N 358.442 0.610 0 50 FCAA O=C1C[C@H](C(=O)N2CCOC3(CCN(CCC(F)(F)F)CC3)C2)CN1 952963964 AQYBRERYAZIZOT-LBPRGKRZSA-N 363.380 0.768 0 50 FCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@@H]1CCCN(CC(N)=O)C1)C2 952975713 LQOGCLFTVQSCMY-UKRRQHHQSA-N 361.442 0.560 0 50 FCAA CC1(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCNCC1 1529152582 UYPHVIVPAMFPNH-SJORKVTESA-N 358.442 0.771 0 50 FCAA Cc1cn2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3NS(C)(=O)=O)ccc2n1 1565530224 DEYFGVGXMDPYFJ-ATGSNQNLSA-N 364.427 0.078 0 50 FCAA Cc1ccc(Cl)cc1C(=O)N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616082930 RCQPXIKDVOAVJP-RISCZKNCSA-N 360.863 0.973 0 50 FCAA Cc1csc(S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704337810 FXAJAVJMVRPFGW-WDEREUQCSA-N 368.502 0.241 0 50 FCAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CN1CCN(c2ncccn2)CC1 1857674569 OBPBBTONUAOHRR-QMTMVMCOSA-N 373.457 0.843 0 50 FCAA COc1ccc(N2CCN(C(=O)c3cc(N4CCOCC4)no3)CC2)cn1 1857680145 CLHDHLIOVMHKMW-UHFFFAOYSA-N 373.413 0.877 0 50 FCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CN1CCOc3ccccc3C1)C2 1857738038 OWFLKNLQVSGYKH-CVEARBPZSA-N 359.426 0.197 0 50 FCAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCOC2(CCS(=N)(=O)CC2)C1 1875395633 HGCKPLZFYOUFDE-LSPBEFFOSA-N 359.492 0.975 0 50 FCAA C[C@H]1OCC[C@H]1C(=O)N(C)CCNC(=O)c1ccsc1-n1cnnn1 2325866225 DVSCNPQTQGCGIE-GHMZBOCLSA-N 364.431 0.337 0 50 FCAA COc1ccc2c(c1)CC[C@H](NC(=O)c1cc3c(=O)[nH]ccn3n1)C2=O 2325876044 IZQBOMHBFUKROB-ZDUSSCGKSA-N 352.350 0.959 0 50 FCAA N=c1[nH]c2cccc(C(=O)N3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)c2s1 2356143442 HWRRNPUVVJMYFX-OLZOCXBDSA-N 363.439 0.826 0 50 FCAA Cn1c(=O)c2c(ncn2C[C@@H](O)CNc2ccc(Cl)cc2)n(C)c1=O 801734 OMSTXVDQUZQMQK-LBPRGKRZSA-N 363.805 0.560 0 50 FCAA biogenic CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCO2 1061542 PRXXRZAFILZVAM-UHFFFAOYSA-N 363.395 0.893 0 50 FCAA Cn1cc(NC(=O)c2c(I)cnn2C)c(C(N)=O)n1 2766541 RQAKADIYQULWCF-UHFFFAOYSA-N 374.142 0.109 0 50 FCAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)C2 71715295 QSUKAQQLEDLLHU-ZDUSSCGKSA-N 367.409 0.253 0 50 FCAA CNc1ncc(C(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cn1 72430860 OCTHHSCAODCUOT-GFCCVEGCSA-N 358.450 0.728 0 50 FCAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)n1 72435848 KXHZDEVWMNVHQL-NSHDSACASA-N 359.352 0.441 0 50 FCAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCNC(=O)C2)[C@@H]3C1=O 77302125 OBFMYNXCPFIINW-PSLQGDIJSA-N 361.442 0.163 0 50 FCAA O=C(c1cccc(-n2cccn2)c1)N1CCN(C(=O)c2nc[nH]n2)CC1 77517532 TZFUZQYFKWNELG-UHFFFAOYSA-N 351.370 0.589 0 50 FCAA CS(=O)(=O)N1CCCn2nc(CNc3ncnc4[nH]cnc34)cc2C1 82115574 VOUSEIGBEWGOHP-UHFFFAOYSA-N 362.419 0.327 0 50 FCAA CC(C)[C@@H]1CN(C(=O)CN(C)Cc2ccncc2)C[C@H]1NS(C)(=O)=O 82160373 DWLUFEHQOKPEHG-JKSUJKDBSA-N 368.503 0.546 0 50 FCAA COc1nn(C)c(C)c1NC(=O)N1CCN(c2cc(C)nc(N)n2)CC1 95517519 WDLQXJPNRXVGIC-UHFFFAOYSA-N 360.422 0.772 0 50 FCAA COC(=O)c1cc(NC(=O)N2CCOC[C@H](CO)C2)cc(C(=O)OC)c1 95527075 MXWKOVMUHYPOHP-NSHDSACASA-N 366.370 0.732 0 50 FCAA CC(=O)N1C[C@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@@]2(C(=O)O)C1 96137453 OXDMDTSPOHDZSA-AUUYWEPGSA-N 370.409 0.368 0 50 FCAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)[nH]n2)C1 97638068 HPIMAYZUPKBEAI-ZDUSSCGKSA-N 364.427 0.467 0 50 FCAA Nc1nnc(SCC(=O)NCc2csc(N3CCOCC3)n2)s1 222458507 MSMVJIJEANDGNZ-UHFFFAOYSA-N 372.501 0.822 0 50 FCAA COc1ccccc1N1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1 225676503 DVRGCYXXWBWGPY-NCOADZHNSA-N 358.394 0.998 0 50 FCAA CN1CCN(CCNC(=O)c2cn[nH]c2-c2ccc3c(c2)OCO3)CC1 273149682 WEZCKCNWQZKQQJ-UHFFFAOYSA-N 357.414 0.783 0 50 FCAA C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 282579076 PJDWAHBYERHNFM-SMDDNHRTSA-N 351.428 0.759 0 50 FCAA CS(=O)(=O)c1ccccc1C(=O)N1CCN(CC(F)(F)F)C(=O)C1 286676247 IHHOSQUVOIOPLP-UHFFFAOYSA-N 364.345 0.937 0 50 FCAA O=C(CN1C(=O)CN(c2ccccc2)C1=O)N1CCN(C(=O)C2CC2)CC1 298775720 FVHBPPKGIGHEIV-UHFFFAOYSA-N 370.409 0.536 0 50 FCAA CN(C[C@H]1CN(C(=O)c2ccncc2F)CCO1)c1nccn(C)c1=O 328626472 FCNUEKNKQFFMGB-LBPRGKRZSA-N 361.377 0.292 0 50 FCAA O=C1NCCN2CCN(C(=O)NCc3cnn(-c4cccc(F)c4)c3)C[C@H]12 426374119 CSDXSSPKFSKCKR-MRXNPFEDSA-N 372.404 0.337 0 50 FCAA CC[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1cnn(C)c1 426535489 MKXRNKAUSRGDSJ-MRXNPFEDSA-N 362.478 0.821 0 50 FCAA CCN=c1ncc(CN2CCn3nc(CN=c4cncc[nH]4)cc3C2)c[nH]1 426571450 IPEUHUWTQMZULS-UHFFFAOYSA-N 365.445 0.367 0 50 FCAA Cc1nnnn1-c1cccc(NC(=O)N2CCC(c3nn[nH]n3)CC2)c1 737532333 AFKXJNRQDXUXKI-UHFFFAOYSA-N 354.378 0.895 0 50 FCAA Cc1nc(CN2CCC[C@H](CNC(=O)c3ccc4nnnn4c3)C2)no1 825306535 KDRSQNDNXKZNNX-GFCCVEGCSA-N 356.390 0.458 0 50 FCAA O=C(CN1CCOc2ccccc2C1)NCCNC(=O)c1cccnc1 827836948 XZWCYAGSWXXKPV-UHFFFAOYSA-N 354.410 0.822 0 50 FCAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cn2ncc3ccccc32)C1 886095229 OLWOIGNFWAZOKP-GOSISDBHSA-N 354.414 0.761 0 50 FCAA O=C1CCCCN1CC(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704344406 POKAVRBLOBOTGC-OXQOHEQNSA-N 374.437 0.906 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc2nc[nH]c2c1 1704358752 RXGDSNACSDLRPD-SMDDNHRTSA-N 352.416 0.199 0 50 FCAA O=C(CCC(F)(F)F)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CC[C@@H]1O 1857674201 XACZXNSMFKZUJK-NEPJUHHUSA-N 374.363 0.933 0 50 FCAA CN(CCc1cnn(C)c1)C[C@]1(O)CCCN(C(=O)C2CCOCC2)C1 1857728882 PWCPUXHBAKBBDC-LJQANCHMSA-N 364.490 0.675 0 50 FCAA O=C(NC[C@]1(CO)COCCN1Cc1ccccc1)[C@H]1C[C@@](F)(CO)C1 2325805640 YYCXXGFJLBUQFT-WDSOQIARSA-N 366.433 0.477 0 50 FCAA O=C1NCCC[C@@]12CCCN2S(=O)(=O)c1ccc2c(c1)OCCO2 2356150075 KQAMSWQEEMDGHG-MRXNPFEDSA-N 352.412 0.891 0 50 FCAA CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 637892 YCITUISCIJDXMM-LBPRGKRZSA-N 373.413 0.224 0 50 FCAA C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O 4899816 RQMDMYNAXPFMCC-JSGCOSHPSA-N 351.403 1.000 0 50 FCAA NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 4976198 WZRBUOPBCJNPMH-HNNXBMFYSA-N 361.417 0.941 0 50 FCAA Cn1cc(CN(CCS(=O)(=O)N2CCCC2)C(=O)CCC(=O)O)cn1 9053926 GXYRLHLSJSGNRU-UHFFFAOYSA-N 372.447 0.039 0 50 FCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCCN1CCOCC1 11843612 KGPXYZLKDMYGHJ-MRXNPFEDSA-N 354.495 0.062 0 50 FCAA O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCc2ccccc2C1 61720559 KOKCRZODIYXTHT-UHFFFAOYSA-N 354.410 0.665 0 50 FCAA O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@](O)(CO)CC1 72156636 NFTMQCWJKZREJF-MRXNPFEDSA-N 351.428 0.770 0 50 FCAA OCCN1CCN(c2nc(-c3cccnc3)nc3c2CCNCC3)CC1 72420017 OVSRYXAGSPURIZ-UHFFFAOYSA-N 354.458 0.341 0 50 FCAA Cc1nc(N)nc(N2CCC[C@@](O)(CN(C)C)CC2)c1CCC(=O)O 95355333 PQRUEQCPFJBDGY-KRWDZBQOSA-N 351.451 0.667 0 50 FCAA CN(C)CC(C)(C)CNC(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1 95372973 GDJNWSPWXYYMPL-UHFFFAOYSA-N 369.487 0.369 0 50 FCAA N[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 95386418 HLNGVDQZILTDCF-KRWDZBQOSA-N 359.470 0.780 0 50 FCAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1 95521225 ZSIVKTPTYGMZKJ-AWEZNQCLSA-N 363.462 0.416 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)COCC)CN1C(=O)c1csc(C)n1 96152502 FWAJPTJLGKLFIN-AAEUAGOBSA-N 368.459 0.323 0 50 FCAA NC(=O)c1cccnc1N1CCN(Cc2nnnn2-c2ccccc2)CC1 131916750 RRAWLOWAGOOFAI-UHFFFAOYSA-N 364.413 0.478 0 50 FCAA CN1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 150730306 JYTRFLDQPZIHCR-CHWSQXEVSA-N 353.854 0.944 0 50 FCAA O=C(CCc1nnc[nH]1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 177099363 AKIYSGCVANMLEU-UHFFFAOYSA-N 367.406 0.410 0 50 FCAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CC1)CN(C)C(=O)CO2 215770256 HBGVGGFPHNOOBT-UHFFFAOYSA-N 362.430 0.169 0 50 FCAA COCCn1cnnc1[C@@H](C)NC(=O)c1nn(C)c(=O)c2ccccc12 219923301 ZHIFDALXFOQJJQ-LLVKDONJSA-N 356.386 0.662 0 50 FCAA CCN(Cc1nc(COC)no1)C(=O)[C@H](c1ccccc1)n1cnnn1 223603117 ZUWAZPZFEDZLOC-HNNXBMFYSA-N 357.374 0.841 0 50 FCAA Cc1cc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)ccc1-n1cncn1 266146131 PRXIEKWUYKPEEY-UHFFFAOYSA-N 370.457 0.858 0 50 FCAA 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0.148 0 50 FCAA O=C(c1cncc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)n1)N1CCCC1 1772811547 YQRATHKQPMPLSI-INIZCTEOSA-N 373.457 0.930 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1O 1857720700 FWPUHUBSMZKFCV-HOCLYGCPSA-N 365.455 0.352 0 50 FCAA Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)s1 1857726425 QGSOLFHDQJLNCA-RDBSUJKOSA-N 366.487 0.810 0 50 FCAA Cc1cc2[nH]cc(C(=O)N3C[C@@H](O)[C@H](Cc4ccncc4)C3)c(=O)n2n1 1875249899 IUJYRYDSCDNANX-UKRRQHHQSA-N 353.382 0.402 0 50 FCAA CCOC(=O)C1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 4181009 KQAODLLBSRTUAR-UHFFFAOYSA-N 369.443 0.548 0 50 FCAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C[C@@H](O)CO)CC1=O 14536668 CECGUOYCEMQTEG-SJORKVTESA-N 368.449 0.864 0 50 FCAA Cc1cccc(C[C@@H](C)NC(=O)Cn2ncc(N3CCOCC3)cc2=O)n1 23506037 MIPXGYRLRAXSGZ-OAHLLOKOSA-N 371.441 0.531 0 50 FCAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCCN2CCCOC2=O)C1 71762556 XULCLOOOVYKNIB-UHFFFAOYSA-N 362.434 0.701 0 50 FCAA CCn1cnnc1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 72127363 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353.386 0.159 0 50 FCAA CN1CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72419796 SUPUMXZDHHGBKY-CABCVRRESA-N 360.439 0.630 0 50 FCAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)ccc21 77505696 WYRKBEDSPGIVFC-GASCZTMLSA-N 358.442 1.000 0 50 FCAA Cc1noc(C)c1CC(=O)N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 77506031 AMDCGMMMOMUPEB-UKRRQHHQSA-N 359.386 0.016 0 50 FCAA O=C(CCc1cc2n(n1)CCN(CC[C@@H]1CCOC1)C2)N1CCOCC1 82087407 WXZDVPVEXQOOSO-MRXNPFEDSA-N 362.474 0.917 0 50 FCAA CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H]3[C@@H](N)[C@H]4CC[C@@H]3C4)cc2C1 82099806 NWUOBBQXOFTEBG-GFOFROLCSA-N 374.489 0.760 0 50 FCAA O=C(NCc1ncc[nH]1)c1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1 91548302 WWQBSDPMLBHBES-CYBMUJFWSA-N 363.443 0.370 0 50 FCAA CN1CCC[C@@]2(CCN(C(=O)Cn3ncc(N4CCCC4)cc3=O)C2)C1=O 95498213 UFGSKKDQPYQDBZ-IBGZPJMESA-N 373.457 0.314 0 50 FCAA Cn1cc(Br)cc1C(=O)NCCN1CCS(=O)(=O)CC1 193026148 DZCUCXZZTUDCHP-UHFFFAOYSA-N 364.265 0.248 0 50 FCAA CN1C(=O)[C@@H](CC(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)N(C)C1=O 215852418 OASQARWRXKVVQV-CQSZACIVSA-N 368.397 0.639 0 50 FCAA O=C(CCNS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)N1CCCC1 216374433 WKYRNELSQBOKCT-UHFFFAOYSA-N 365.455 0.823 0 50 FCAA Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)c2c(C)nn(C)c2n1 244811393 SBXGPUDSTOVWLY-HAQNSBGRSA-N 369.429 0.882 0 50 FCAA Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(=O)n(C)c1=O 252443995 MGBHYUAZEAAFBE-FRRDWIJNSA-N 355.460 0.721 0 50 FCAA CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 264231585 FDZJDXFKRHNFBX-ZDUSSCGKSA-N 355.416 0.510 0 50 FCAA C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2cncc(F)c2)CC1 270897775 MDQJBIWDLICSLU-KBPBESRZSA-N 363.437 0.455 0 50 FCAA COCCN1C(=O)N[C@@H]2CN(c3ncncc3Br)CC[C@@H]21 299744716 UMJIPMVZVWPPLU-MNOVXSKESA-N 356.224 0.858 0 50 FCAA O=C(Nc1cnns1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 299775789 JUANCZHEUKJYON-UHFFFAOYSA-N 359.477 0.701 0 50 FCAA C[C@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(C(=N)O)n2)C[C@@H](C)O1 330759603 KNSOZKDUEPNOOG-PHIMTYICSA-N 355.416 0.516 0 50 FCAA CN(C)c1ccnc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 365431443 IQIZSIXSPPYNIU-YVEFUNNKSA-N 356.430 0.831 0 50 FCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 372742449 PXQIPTSVPWMVFM-SNVBAGLBSA-N 355.391 0.474 0 50 FCAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)N[C@H]2CCN(C3CC3)C2)cn1 408474445 XHSKYMJATFCKOO-DZGCQCFKSA-N 367.475 0.138 0 50 FCAA NS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ncccc3F)cc2)CC1 426582939 ZKCQROUAKOXCSD-UHFFFAOYSA-N 364.402 0.849 0 50 FCAA O=C(CCn1cnnc1)N1CCC2(CC1)CN(C(=O)C1CC=CC1)CCO2 827920950 CWZLBLXXUUVCDK-UHFFFAOYSA-N 373.457 0.854 0 50 FCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cccc3c1OC(F)(F)O3)C2 952849850 HEGXWAYWGRVUKY-PSLIRLAXSA-N 354.309 0.972 0 50 FCAA COCCc1noc([C@@H]2CCCCN2C(=O)CCNS(C)(=O)=O)n1 952869894 OMPPIIISQLGLPY-NSHDSACASA-N 360.436 0.251 0 50 FCAA CCN1CCN(CC(=O)N2CCC(CCC(=O)NC3CC3)CC2)CC1 952991422 PEXAAJLEWRCFMB-UHFFFAOYSA-N 350.507 0.921 0 50 FCAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)CCN(C)C)cc1OC 1529126761 PDLQRKXMDMDYRZ-SJORKVTESA-N 365.430 0.280 0 50 FCAA NC(=O)C1(C(=O)N2CCCN(C(=O)CN3CCCCCC3)CC2)CC1 1529178477 MMRSNLXTYVHKGU-UHFFFAOYSA-N 350.463 0.189 0 50 FCAA Nc1n[nH]c(C(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)c1-c1ccccc1 1565507431 WJMGFVGAQZZHOW-RYUDHWBXSA-N 360.370 0.647 0 50 FCAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ncccc1O 1565516999 GINZKQJHBAEUPS-OLZOCXBDSA-N 353.382 0.954 0 50 FCAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccn2nnnc2c1 1565530084 ZSGFUMMWPMRDLL-GJZGRUSLSA-N 354.370 0.623 0 50 FCAA CN(C)Cc1cccc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1616079683 IPVUJKMZUAEXLM-CVEARBPZSA-N 369.487 0.073 0 50 FCAA COc1cc(CN2C[C@H](O)[C@@H](F)C2)ccc1OCC(=O)N1CCOCC1 1616102125 CWCHHSJZWKTFIS-GJZGRUSLSA-N 368.405 0.447 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)C1 1875379341 QOAURJCCFDTXJM-ZATCZYFKSA-N 364.471 0.477 0 50 FCAA Cn1ncc2c1CCN(C(=O)CCc1ccc3c(c1)OCCO3)[C@H]2C(N)=O 1875394476 JWYBVYYXSCKGDG-GOSISDBHSA-N 370.409 0.735 0 50 FCAA O=C(NC1CCC2(CC1)CCN(C(=O)Cn1ncnn1)C2)[C@@H]1C[C@H]1F 1875404962 FWJZYYXAMSOMSQ-LGESCRJUSA-N 350.398 0.309 0 50 FCAA NC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc(N4CCOCC4)nc3)[C@@H]2C1 1940193422 BSNSNWUZFGBTKD-NUEKZKHPSA-N 374.441 0.413 0 50 FCAA COC(=O)[C@@]12COC[C@@H]1CN(CC(=O)NCCc1ccc(OC)cc1)C2 2356168864 FIGHXUXCCDVDNJ-KXBFYZLASA-N 362.426 0.475 0 50 FCAA CN(CC(=O)Nn1cnnc1)S(=O)(=O)c1ccc(Br)cc1 1065787 FYDGNMDBQIOZON-UHFFFAOYSA-N 374.220 0.431 0 50 FCAA Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(c4ccccc4F)CC3)nc21 2347966 QMFKASODCUHUQT-UHFFFAOYSA-N 358.377 0.411 0 50 FCAA CCn1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c(C)n1 2782906 IJOXKHNJMVSZKD-QMTHXVAHSA-N 350.400 0.584 0 50 FCAA COCCOC1CCN(C(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)CC1 12198114 USIMDEONGIKOEZ-QGZVFWFLSA-N 369.506 0.877 0 50 FCAA CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1 13997713 FLJNRCZMOZBZOS-UHFFFAOYSA-N 369.487 0.925 0 50 FCAA O=C(NCCn1ccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 43310535 QPHCYNCOIPSURY-UHFFFAOYSA-N 363.443 0.599 0 50 FCAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77342863 BVHKJOCGESMPAP-ZDUSSCGKSA-N 367.365 0.950 0 50 FCAA COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncccc2C)[C@H]3C1=O 77538704 DBGANZCNJXEIJX-CLWJZODNSA-N 371.437 0.777 0 50 FCAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)CC2)[C@H]3C1=O 77565061 NZWSIEYHOCZGKU-FJXLLPKBSA-N 361.442 0.306 0 50 FCAA CC(C)c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2ncnn12 91645422 YQEHDUXFJLQFGJ-HNNXBMFYSA-N 372.429 0.711 0 50 FCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1cnc(C3CC3)nc1)CC2 91656373 FERCBMFTMHSRAH-ZDUSSCGKSA-N 358.398 0.892 0 50 FCAA O=C(COc1cccc(F)c1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91872702 LSBBUOPWRXSZKO-HUUCEWRRSA-N 352.406 0.604 0 50 FCAA O=C(c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1)N1CCSCC1 95374472 XLGXFHTXFMUAND-CYBMUJFWSA-N 356.469 0.943 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2csc(C)n2)CN1Cc1c[nH]cn1 96166545 HGVIHLGDGFRXMH-FZMZJTMJSA-N 362.459 0.684 0 50 FCAA CCCc1nc(C(=O)N2CCO[C@@H](C(N)=O)C2)nn1-c1ccccc1F 173350233 DLQYNPKPOZQKRY-CYBMUJFWSA-N 361.377 0.685 0 50 FCAA CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 215277796 JZNKCJMKHIVMBQ-OAHLLOKOSA-N 365.455 0.822 0 50 FCAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCCCc2nnc(N)s2)n1 222321961 BVBTVYSDKQBGIQ-QMMMGPOBSA-N 354.461 0.742 0 50 FCAA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1Cc2ccccc2CN1 237743764 OZFPUYGQBDAPLN-INIZCTEOSA-N 351.410 0.970 0 50 FCAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)COc2cccnc2)C1 244748765 OOARCALPWAKHNX-HDJSIYSDSA-N 367.413 0.896 0 50 FCAA COCCn1c(Cn2nc3n(c2=O)CCCCC3)nnc1[C@H]1C[C@H](N)C1 252536056 HNBRGMODZDUIAD-JOCQHMNTSA-N 361.450 0.262 0 50 FCAA COC(=O)c1cn(Cc2nnnn2-c2ccccc2)cc2c(=O)[nH]nc1-2 263587768 KYZZZNXUFBHNBI-UHFFFAOYSA-N 351.326 0.487 0 50 FCAA O=C([C@@H]1COCCN1CC(F)(F)F)N1CCCN(c2cccnn2)CC1 283078016 NUVNEGGNWIVGOI-ZDUSSCGKSA-N 373.379 0.778 0 50 FCAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299780751 CNVJATIDNBUCOG-KBPBESRZSA-N 352.354 0.501 0 50 FCAA OC[C@H]1O[C@@H](OCc2nccc3c2[nH]c2ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 299817798 UBEWCGDGCYXTEA-SOVHRIKKSA-N 360.366 0.033 0 50 FCAA biogenic C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)O1 328629292 ICTXYKOMBIVAME-VHDGCEQUSA-N 363.462 0.848 0 50 FCAA O=C(c1ccc(O)cc1O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 365016131 LSTRBSRQADONRA-CYBMUJFWSA-N 370.427 0.364 0 50 FCAA CN=c1cc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)nc(N)[nH]1 534632363 GXODRZVEHAXLQJ-UHFFFAOYSA-N 361.427 0.060 0 50 FCAA NC(=O)[C@]1(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)CCOC1 952823723 DAENOYHXVTVITC-INIZCTEOSA-N 355.797 0.881 0 50 FCAA Cc1nccnc1N1CCC2(CC1)CN(C(=O)CCn1cnnc1)CCO2 952860136 FWGJMSSBHUINNH-UHFFFAOYSA-N 371.445 0.665 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)C1 952873538 LIOPAZZTHHPJOT-OCCSQVGLSA-N 351.378 0.135 0 50 FCAA Cc1oc(C(=O)N2CCc3c(O)ncnc3C2)cc1S(=O)(=O)N(C)C 1320768724 UXOKXNFCDAOBLM-UHFFFAOYSA-N 366.399 0.532 0 50 FCAA O=C1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H](Cc2ccccc2)N1 1772710740 OMDMFOSDPUROAT-HNNXBMFYSA-N 371.416 1.000 0 50 FCAA CCN1CCNC(=O)[C@H]1CC(=O)N1CCCN(c2ccnc(C)n2)CC1 1772811292 SBSYGCUBOPOVEA-OAHLLOKOSA-N 360.462 0.034 0 50 FCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1Cc1cnn(CCOC)c1 1775956966 IQQYVDXYCHWCLO-KBPBESRZSA-N 350.423 0.809 0 50 FCAA CN1CCn2nc(C(=O)N3CC[C@@]4(C3)C(=O)Nc3ccccc34)cc2C1=O 1857674913 CTVPEXIZIOTVNK-IBGZPJMESA-N 365.393 0.705 0 50 FCAA CN(C)C(=O)CN1CCOC2(CCN(C[C@@H]3CCCCO3)CC2)CC1=O 1857686605 DGKJDUHENPXPQF-INIZCTEOSA-N 367.490 0.727 0 50 FCAA COC(=O)c1ccc(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1 1857723088 WKJLANRABALDRU-XHSDSOJGSA-N 352.456 0.632 0 50 FCAA Cc1nonc1C(=O)NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3 1857723372 DALUCVUGEDCYOC-SFDCBXKLSA-N 356.386 0.582 0 50 FCAA O=C1CC[C@H](N2Cc3c(NC(=O)C(F)(F)F)cccc3C2=O)C(=O)N1 1857798006 JDDHNCDCNZFYFC-JTQLQIEISA-N 355.272 0.948 0 50 FCAA O=C(N[C@H](Cc1cn(CCc2ccccc2)nn1)C(=O)O)[C@H]1CCOC1 1875325105 QXAGZDYHIUGGEQ-GOEBONIOSA-N 358.398 0.669 0 50 FCAA C[C@@]1(c2nn[nH]n2)CCN(C(=O)[C@H]2CCCN(Cc3ccncc3)C2)C1 2325809076 CRJAIQNSXSFGFK-MAUKXSAKSA-N 355.446 0.997 0 50 FCAA CC(C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C(=O)O 2325897520 YMLYHGQGDJUVBV-LBPRGKRZSA-N 373.365 0.041 0 50 FCAA Cc1ccc(Cn2c(OCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 796303 WLTDHIIIQKEBEB-UHFFFAOYSA-N 371.441 0.731 0 50 FCAA CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 5027791 FLQTYVNTRAIMCN-UHFFFAOYSA-N 374.420 0.595 0 50 FCAA CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 6907160 VGVCTAXLJZOGTJ-KBPBESRZSA-N 359.382 0.963 0 50 FCAA biogenic CCCn1c(C(=O)NCc2ccccn2)cc2c(=O)n(C)c(=O)n(C)c21 11796846 BYWYGVXLRLLGRJ-UHFFFAOYSA-N 355.398 0.774 0 50 FCAA Cc1ccc(Cn2c(NCCCO)nc3c2c(=O)n(C)c(=O)n3C)cc1 12437105 JYRATYUETDWMML-UHFFFAOYSA-N 357.414 0.585 0 50 FCAA COc1cc(C(=O)N2CCN(C)CC2)c(N(C)S(C)(=O)=O)cc1OC 13582681 LOVSDSOAOUBCMM-UHFFFAOYSA-N 371.459 0.487 0 50 FCAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)C2)C1=O 67846888 UPUPJURDEYGYSE-SFHVURJKSA-N 354.414 0.962 0 50 FCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H](C)n1cnc3ccccc3c1=O)C2 71745225 UROKIPIOLBIDJE-LLVKDONJSA-N 365.393 0.934 0 50 FCAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCOc1ccccc1 72120882 BZVBKQREPACJLI-GOSISDBHSA-N 368.437 0.967 0 50 FCAA O=C(O)[C@@H]1CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1C(=O)C1CC1 72428751 SPUYPLJUVMJRDU-AWEZNQCLSA-N 373.409 0.693 0 50 FCAA CCC(=O)N1CCN(C(=O)c2ncoc2C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 72433461 YOHOKUSLPDJUBZ-NEPJUHHUSA-N 367.427 0.412 0 50 FCAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 77420540 XXIOYLBDQAGZAY-INIZCTEOSA-N 369.421 0.977 0 50 FCAA CCCN1CCCn2nc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc2C1 82120784 NGNLQJJZOVHIRQ-CQSZACIVSA-N 368.503 0.940 0 50 FCAA Cc1nn(CC(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)c(C)c1Cl 91707050 FQQZCYXRVMMZFJ-ZIAGYGMSSA-N 358.870 0.144 0 50 FCAA C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)N1CCN(C)CC1 132321609 MFGGESNNMJINFP-WMZOPIPTSA-N 358.486 0.930 0 50 FCAA Cc1c(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cnn1C 179359092 YGORZUGFSLZGLG-CQSZACIVSA-N 357.480 0.732 0 50 FCAA CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(N2CCNC(=O)C2)ccn1 188309249 HCVVQZMHFPEOTN-CYBMUJFWSA-N 369.429 0.437 0 50 FCAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 215453131 XOYBMHLCEFJFHF-OLZOCXBDSA-N 350.419 0.178 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)NC[C@@H](c2ccccc2)N2CCCCC2)c1=O 216081160 ZIXNANGDNBKPIG-KRWDZBQOSA-N 370.453 0.960 0 50 FCAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(Cn3ccnc3)CC1)C2 222513399 JUHUKWPMSSQDKQ-MRXNPFEDSA-N 358.446 0.497 0 50 FCAA COCCc1noc(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)n1 223181307 ZHVWUTBQJFICKF-VIFPVBQESA-N 353.404 0.447 0 50 FCAA CNc1cc([C@H]2C[C@@H](NS(=O)(=O)c3c(C)noc3C)C2)nc(N)n1 244723501 MCTCKWGFBAJAFI-AOOOYVTPSA-N 352.420 0.930 0 50 FCAA CN(Cc1cc(Cl)cn1C)C(=O)CCn1cc(S(N)(=O)=O)cn1 268153324 GQNQUQTWMYFSKT-UHFFFAOYSA-N 359.839 0.571 0 50 FCAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)CCc1ccnn1C)C2 329103532 GBFMJEKEYZPOKE-UHFFFAOYSA-N 362.455 0.846 0 50 FCAA Cn1nnnc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1 330431336 WGVBVLKUPIDLGR-UHFFFAOYSA-N 365.235 0.931 0 50 FCAA CCS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cc1 330628600 LUDJMOSZFCAWSE-HZUKXOBISA-N 368.455 0.639 0 50 FCAA Cc1onc(N)c1S(=O)(=O)N1CCC(n2ncc3c2CNC3)CC1 333580029 NRXRQQNJXHGEIR-UHFFFAOYSA-N 352.420 0.391 0 50 FCAA COCCn1nc(C)c(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1C 373874251 ZDKDIKAKGBUYEO-CNBXADPUSA-N 362.430 0.313 0 50 FCAA CNC(=O)c1cccc(CNC(=O)[C@H]2COCCN2CC(F)(F)F)c1 376627877 LZLIMCGATMHZOO-CYBMUJFWSA-N 359.348 0.926 0 50 FCAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCCc2nc3ccccc3[nH]2)[nH]1 426368149 ARRPVZRIDUMMIS-ZDUSSCGKSA-N 368.441 0.759 0 50 FCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCN(c3ccncc3)CC2)n1 426493333 XIIAXXUOSRSPIY-HNNXBMFYSA-N 370.457 1.106 0 50 FCAA Cn1nc(C[C@H]2CCCC[C@H]2N[C@@H]2CCCS(=O)(=O)C2)n(C)c1=O 888098330 FZZMRYHYHHDXCZ-MGPQQGTHSA-N 356.492 0.387 0 50 FCAA Cc1ncccc1C(=O)N1CCOC2(C1)CN(c1nccn(C)c1=O)C2 952894212 MZMIJGNRXMUBMZ-UHFFFAOYSA-N 355.398 0.215 0 50 FCAA CN(C)C(=O)CN1CCCN(c2nccc(N3CCC(O)CC3)n2)CC1 1529120691 JIXFITCYQJNQIW-UHFFFAOYSA-N 362.478 0.038 0 50 FCAA O=C1O[C@H]2CN(c3ncnc4[nH]cnc34)C[C@H]2N1CCN1CCCCC1 1565509490 ZOJKWOFAGXRKCF-OLZOCXBDSA-N 357.418 0.848 0 50 FCAA CC1(C)CNC(=O)C2(CCN(C(=O)CCc3ccc(O)nn3)CC2)NC1 1772806561 HDZCOKKZJCQTIQ-UHFFFAOYSA-N 361.446 0.222 0 50 FCAA CN1C[C@@H](CN2CCCN(S(=O)(=O)N3CCCC3)CC2)CCC1=O 1775979495 IYJLVCQRUVXFKD-HNNXBMFYSA-N 358.508 0.203 0 50 FCAA Cc1cc(C[C@@H]2CN(C(=O)c3nc(=O)c4ccccc4[nH]3)C[C@H]2O)n[nH]1 1857726547 WOLMEZLTRXBZIR-IAQYHMDHSA-N 353.382 0.630 0 50 FCAA CCc1nccn1CCC(=O)N1CC[C@@H](O)[C@@](CO)(CCCOC)C1 1857737626 VWAPHSMLPWQVRE-QAPCUYQASA-N 353.463 0.834 0 50 FCAA Cc1ccc(C(=O)NC[C@H](CO)Nc2ncc(Cl)c(O)n2)c(O)n1 1875333528 ZZVIXNLAJOFGFY-MRVPVSSYSA-N 353.766 0.447 0 50 FCAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cnc3cnn(C)c3c2)C1 2100544662 DDCRBNJZEFVSCS-LLVKDONJSA-N 355.402 0.609 0 50 FCAA CN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 2356154974 RLSQZTNDAHGJNZ-IAOVAPTHSA-N 371.441 0.304 0 50 FCAA COC(=O)CCNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356162217 CAOKCYCLKLSOST-UHYGZKCKSA-N 357.410 0.998 0 50 FCAA Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 793296 BKUYNXKFNGFHAZ-UHFFFAOYSA-N 353.444 0.485 0 50 FCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3166971 QBSSPIPMBZJTIV-ZDUSSCGKSA-N 372.468 0.388 0 50 FCAA CCN(CC)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1 4850777 GFZHHKCFLMVCAS-UHFFFAOYSA-N 361.406 0.440 0 50 FCAA Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCOCC2)n1 20019195 LSUQGKZEYURBKF-UHFFFAOYSA-N 369.473 0.608 0 50 FCAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnn3C)CC2)cc1 63451895 RYGSXYGZVCAICY-UHFFFAOYSA-N 364.427 0.575 0 50 FCAA Cc1ccc(OC(C)(C)C(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)cc1 65395757 FDPKHUNTAUOQDB-OAHLLOKOSA-N 359.426 0.664 0 50 FCAA O=C(NCCc1n[nH]c2c1CCCC2)c1cn(C[C@H]2CCCNC2)nn1 67934325 BNDTWOVLPPQLKE-ZDUSSCGKSA-N 357.462 0.852 0 50 FCAA Cc1cccc2[nH]c(COCC(=O)N3CCc4c(nc(N)[nH]c4=O)C3)nc12 71735837 QACMTOQJKOGGEM-UHFFFAOYSA-N 368.397 0.638 0 50 FCAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)COCC(N)=O)C2)CC1 72164130 GYZORBGRWBYHQO-QGZVFWFLSA-N 374.485 0.610 0 50 FCAA COc1cccc(C(=O)N2CCN(C(=O)c3cc(=O)[nH]c(O)n3)CC2)c1 72412034 OBWNCNIBTBDKMF-UHFFFAOYSA-N 358.354 0.082 0 50 FCAA Cc1nnnn1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91365269 BBYJTVXOEPBLCN-DZGCQCFKSA-N 355.402 0.140 0 50 FCAA Cn1nnnc1SCCNC(=O)CCc1nc2ccccc2[nH]c1=O 91526834 KMBVUBXPPBMXHE-UHFFFAOYSA-N 359.415 0.288 0 50 FCAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C1 95353329 DJEVLDRYRNTBDT-CQSZACIVSA-N 361.446 0.693 0 50 FCAA COCCCN1CC2(CCN(C(=O)[C@H](C)Cn3cncn3)CC2)CC1=O 95378296 GRWOLIRPCRIKEK-OAHLLOKOSA-N 363.462 0.792 0 50 FCAA O=C(CN1C(=O)CCNC1=O)N1CCN(c2nsc3ccccc23)CC1 95506950 ITMQUYXNUVSFAN-UHFFFAOYSA-N 373.438 0.887 0 50 FCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 97958256 QHTIJLSTFOWNOL-NXEZZACHSA-N 366.171 0.829 0 50 FCAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1cc(F)cc(F)c1 223685218 PWHCEYOBGZMTQZ-HUUCEWRRSA-N 356.369 0.886 0 50 FCAA CN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1 223841179 KMONWIDZCYGSLX-HZPDHXFCSA-N 360.451 0.981 0 50 FCAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN1CCNCC1=O 237678622 BMDGZFREIFCLQS-WMZOPIPTSA-N 358.486 0.787 0 50 FCAA O=C(CN1CCc2nnc(Cc3ccccc3)n2CC1)N1CCOCC1 244874804 XHOQMSSQEYVLBL-UHFFFAOYSA-N 355.442 0.586 0 50 FCAA CN(CC(=O)N[C@@H]1CCN(c2cnccn2)C[C@H]1O)Cc1ccccn1 252486671 HOHRZJGKXODZCH-HZPDHXFCSA-N 356.430 0.059 0 50 FCAA C[C@H](CN1CCCC1=O)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 274783593 KTGXCUTXLQHYHE-CYBMUJFWSA-N 365.455 0.996 0 50 FCAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)n2cncn2)no1 275614497 IUMBYYITFGAPJR-DRZSPHRISA-N 351.386 0.602 0 50 FCAA O=C(c1ccc(-n2cnnc2)nc1)N1CCCO[C@H](CN2CCCC2)C1 299769893 JXDZJJQEEZNCDW-MRXNPFEDSA-N 356.430 0.989 0 50 FCAA CN1C(=O)C[C@@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)[C@@H]1c1ccnn1C 328994817 JIRYRIUVJREBJM-RHSMWYFYSA-N 373.457 0.410 0 50 FCAA CN1CCN(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C1=O 426598833 HNMASZZUBJPJIR-UHFFFAOYSA-N 374.850 0.102 0 50 FCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1 666111020 HYNHKIHVNCHEAU-HZPDHXFCSA-N 369.487 0.572 0 50 FCAA CN(C)[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@@H]1n1ccnn1 862940224 NZWLPIPDLHCYEO-CABCVRRESA-N 353.386 0.955 0 50 FCAA NC(=O)[C@]1(N2CCN(C(=O)c3cccc(F)c3Cl)CC2)CCOC1 886096315 AORYTLGPHRFCDC-INIZCTEOSA-N 355.797 0.881 0 50 FCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1c[nH]c2c(F)cccc2c1=O 1565526870 PSLNLSDVBSOGCD-STQMWFEESA-N 364.329 0.656 0 50 FCAA CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)C2 1704325742 QHMFGTPDIOWZFZ-RYUDHWBXSA-N 367.427 0.083 0 50 FCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704326284 SUJPMWAQBPCSHJ-OLZOCXBDSA-N 368.411 0.171 0 50 FCAA CS(=O)(=O)N(CC(=O)N1CCOC[C@@H](C(=O)O)C1)c1cccc(F)c1 1775977602 JBHCZTRCRZBGSZ-NSHDSACASA-N 374.390 0.151 0 50 FCAA CC1(C)CCN(S(=O)(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)CC1 1775980535 CNWUMXJLLYPKKD-HNNXBMFYSA-N 373.519 0.924 0 50 FCAA CC(C)=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)Cn3cnnn3)C2)C1 1857688602 SAFROGSWWCIFCK-SJLPKXTDSA-N 362.478 0.705 0 50 FCAA COc1ccc(CC(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1F 1857712188 FSAMMVNINVJJRO-KKUMJFAQSA-N 352.406 0.717 0 50 FCAA O=C(c1cc2[nH]c(-c3ccccc3)cc(=O)n2n1)N1CCOC[C@H](CO)C1 1875307297 MUVOPWDFXSQAQH-ZDUSSCGKSA-N 368.393 0.771 0 50 FCAA COC(=O)C1(C(=O)OC)CCC(n2cc(C(C)(C)NC(N)=O)nn2)CC1 1875309643 HDIZHUHWJQKSTC-UHFFFAOYSA-N 367.406 0.629 0 50 FCAA CNC[C@@H]1CCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350704 XWFDHGAOHALJSQ-NSHDSACASA-N 368.397 0.770 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)C2CC2)N1Cc1ccccc1 1875396532 LCGDBWQKPHOVPU-PBHICJAKSA-N 354.472 0.720 0 50 FCAA COc1ccc(F)cc1CC1(C(=O)N2C[C@@H](O)[C@H](CC(N)=O)C2)CC1 1875403403 VXWKIGYHASNQOO-TZMCWYRMSA-N 350.390 0.852 0 50 FCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=C(c4nnnn4C)CC3)nn(C)c21 1875404766 UJYSAIHLEWHSBU-MNOVXSKESA-N 357.418 0.895 0 50 FCAA Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C 2325807397 XGNZORTVIJXEKI-GJZGRUSLSA-N 372.473 0.940 0 50 FCAA NC(=O)C12C3C4C1C1C2C3C41C(=O)N[C@@H]1CCC[C@H](N2CCCC2=O)C1 2325828453 HSBLVBKXHTTWTK-PLKMNGKQSA-N 355.438 0.260 0 50 FCAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)CO3)c2c(C)nn(C)c2n1 2356154425 VLQNLSKYDLSOIP-CABCVRRESA-N 374.441 0.702 0 50 FCAA Cn1cnc2ccc(N(CC(=O)N3CCOCC3)S(C)(=O)=O)cc21 2356169664 GNFNIXBUESYFAN-UHFFFAOYSA-N 352.416 0.198 0 50 FCAA Cn1ncc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1=O 19223503 ZQHRJEDOMKZGSU-MRXNPFEDSA-N 356.382 0.269 0 50 FCAA CCn1c(=O)c2c(nc3n(-c4ccc(C(N)=O)cc4)c(C)cn23)n(C)c1=O 36696127 FYXQBAPWGUVFHA-UHFFFAOYSA-N 366.381 0.566 0 50 FCAA CNC(=O)CNC[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O 67908397 JWGAUNGDVDGKKM-KRWDZBQOSA-N 353.394 0.023 0 50 FCAA CN1C(=O)[C@]2(CCCN(C(=O)CCc3n[nH]c(N)n3)C2)c2ccccc21 72168270 CAILCLYYTJZZLX-SFHVURJKSA-N 354.414 0.856 0 50 FCAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1cc2n(n1)CCNC2 72425692 YXZUMJIAGIXYIK-UHFFFAOYSA-N 363.443 0.513 0 50 FCAA O=C(N[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1cnccn1 77323643 BUKDSWSNIVKPQI-GDBMZVCRSA-N 370.409 0.613 0 50 FCAA CNC(=O)c1noc(CN2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)n1 77471636 MPHXIAIHALSMJD-KRWDZBQOSA-N 365.434 0.280 0 50 FCAA CC(C)O[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 91476299 HZNOWYNGOUFKSO-LBPRGKRZSA-N 358.464 0.478 0 50 FCAA Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)N2CCOCC2)CC1 91537080 YBXWLMRQSVUGCD-UHFFFAOYSA-N 359.434 0.692 0 50 FCAA Cn1ccnc1CN1C[C@H](C2CC2)[C@@H](NC(=O)CCN2CCCC2=O)C1 91595677 YTCKINNYCZZDCP-CVEARBPZSA-N 359.474 0.759 0 50 FCAA O=C(N[C@H]1CCCNC1)c1ccc(S(=O)(=O)NCc2ccon2)cc1 91643272 WEXPDGFCRXBIBY-ZDUSSCGKSA-N 364.427 0.635 0 50 FCAA Cn1cc(CCC(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cn1 91656377 CSUYGVUQIXSAJD-UHFFFAOYSA-N 362.474 0.966 0 50 FCAA COc1cccc([C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C(=O)O)c1 92037227 LHVYWHOZRWCLEE-QWHCGFSZSA-N 373.365 0.023 0 50 FCAA Cn1c(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)cc(=O)n(C)c1=O 95356912 BTSJVTGNIHHUJG-CQSZACIVSA-N 371.393 0.802 0 50 FCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc[nH]2)CN1C(=O)c1ccon1 96133706 LNOZJZQONVLUSO-DOMZBBRYSA-N 373.413 0.884 0 50 FCAA Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)nnn1C1CCNCC1 150744331 BKVYGEQOSWULMF-INIZCTEOSA-N 368.441 0.563 0 50 FCAA CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 215153034 TXPOFTCORHSBSW-CQSZACIVSA-N 360.414 0.920 0 50 FCAA Cc1c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)nnn1C1CCNCC1 237735975 UIAXNKCRXJZYTJ-KRWDZBQOSA-N 368.441 0.824 0 50 FCAA CN(C)S(=O)(=O)N1C[C@@H]2OC(=O)N(CCc3ccc(F)cc3)[C@@H]2C1 247982627 XXWBVKMWOQZLHO-KGLIPLIRSA-N 357.407 0.680 0 50 FCAA CCOc1ccccc1NC(=O)CCN1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 252481348 CJNJTACABFVRQW-HNNXBMFYSA-N 374.441 0.399 0 50 FCAA COc1cncc([C@H](NC(=O)c2cc(-n3cnnn3)[nH]n2)[C@H]2C[C@H](O)C2)c1 253378342 CIEVQLAJTSVVOU-XDMRBOTDSA-N 370.373 0.031 0 50 FCAA COc1cncc([C@H](NC(=O)Cc2cnc(O)n(C)c2=O)[C@H]2C[C@H](O)C2)c1 253535606 IMBMGVHAXWOGKH-CKUKBARFSA-N 374.397 0.060 0 50 FCAA CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 267393320 PENFLAQBMVXSLB-KRWDZBQOSA-N 371.401 0.298 0 50 FCAA CSc1nn2c(=O)cc(CN3CCC4(CC3)CNC(=O)O4)nc2s1 299797642 PQOBCHGXHGDLID-UHFFFAOYSA-N 367.456 0.947 0 50 FCAA COCCN1C[C@@H](CNC(=O)c2cnc(-c3ccncc3)nc2)CC1=O 299797877 POEGHZKYPZXCQV-CYBMUJFWSA-N 355.398 0.763 0 50 FCAA CNC(=O)c1ccc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)nn1 378044345 GQNRSSOLLNRLKN-HNNXBMFYSA-N 353.426 1.339 0 50 FCAA Cc1nn2cc(CNC(=O)[C@H]3[C@@H]4C=C[C@@]5(CN(C)C(=O)[C@@H]35)O4)nc2s1 426388158 MKBMFXLWPBFWJH-OVZMXSCWSA-N 359.411 0.127 0 50 FCAA COc1cccc(CCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1OC 426536254 IGGNOQMLZRASJT-LBPRGKRZSA-N 371.459 0.566 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)[C@H](O)C1 426698222 KTAFPAXWKLPPSK-HZPDHXFCSA-N 371.441 0.330 0 50 FCAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)NCCNS(C)(=O)=O)n1 534649441 XNOCFDHAGJBNFB-LLVKDONJSA-N 367.431 0.954 0 50 FCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc2oc(O)nc2c1 1074600155 MBRIYYYOKNPAGL-VZLIPTOUSA-N 367.383 0.104 0 50 FCAA Cc1cc(=O)c(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)c(C)[nH]1 1565506817 VAUCZCQLSYQUCQ-RDJZCZTQSA-N 369.421 0.997 0 50 FCAA O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565516151 IUIMAALLUHKWPO-HOTGVXAUSA-N 374.466 0.625 0 50 FCAA CCC[C@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@@H]1NS(C)(=O)=O 1614976264 VGMYRNHEEOSCFE-WFASDCNBSA-N 365.459 0.608 0 50 FCAA CCOC(=O)c1coc(N2CCC3(CC2)NCC(C)(C)CNC3=O)n1 1772819702 ZZUXUVHEUULJIJ-UHFFFAOYSA-N 350.419 0.936 0 50 FCAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cc1OCCCN 1875244740 RXNFZCDNVKQJFQ-HOCLYGCPSA-N 363.458 0.825 0 50 FCAA Cn1cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c(C2CCC2)n1 1875297800 DKFFWPPCNONJKB-UHFFFAOYSA-N 365.459 0.971 0 50 FCAA NC(=O)C12CC(CNC(=O)[C@H]3COc4ccccc43)(C1)OC21CCNCC1 1875393377 LWPUWBNFNCGTBT-YCMKEVRSSA-N 371.437 0.436 0 50 FCAA CCC(=O)N1CCCCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 2325867480 XGMVFNQELYZPSA-AWEZNQCLSA-N 359.492 0.014 0 50 FCAA C[C@H](F)CC(=O)N1CC(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)C1 2325877550 UDQJYPYNGQIVAE-RYUDHWBXSA-N 352.414 0.679 0 50 FCAA O=C1NCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@H]12 65387600 SXJJXMXDQZXRIO-NSHDSACASA-N 364.254 0.798 0 50 FCAA CN1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1 67458496 HMWABRHAWKBQTN-UHFFFAOYSA-N 373.501 0.770 0 50 FCAA COc1ccc2c(c1)[C@@H](C(=O)N1CCC3(CC1)NCCNC3=O)CC(=O)N2 67966628 BELBLCIPAPZILV-AWEZNQCLSA-N 372.425 0.202 0 50 FCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1ccccc1-n1cncn1 72132955 IYIWHQQEMUIPOK-QGZVFWFLSA-N 370.457 0.730 0 50 FCAA CNc1ncc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)cn1 77389190 HATHMKAMLVRYTI-UHFFFAOYSA-N 357.418 0.258 0 50 FCAA CC(=O)NCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC=C(C)CC2)[C@@H]3C1=O 77565589 FZODVNDSOSOZKY-GGXPGOJBSA-N 359.426 0.083 0 50 FCAA CN1CCN(C(=O)CCn2cc(Cl)cn2)C[C@]12CCNC(=O)CC2 91416407 HAXQYOMFITZCQH-INIZCTEOSA-N 353.854 0.740 0 50 FCAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2 91518645 JQFISWHUMBKGEK-UONOGXRCSA-N 355.402 0.221 0 50 FCAA COc1cccc(-n2cc(CNC(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)cn2)c1 91896720 TUYBDNFINXLFLX-OAHLLOKOSA-N 371.397 0.780 0 50 FCAA CN1C(=O)C[C@H](C(=O)N2CCN(CCn3cncn3)CC2)c2ccccc21 95379860 ZZSJKEDIHSVLQH-INIZCTEOSA-N 368.441 0.573 0 50 FCAA Cc1ccc([C@@H](CNC(=O)N[C@H]2CCN(C)C2=O)N2CCOCC2)o1 172530711 HCYHXANMVCRPRE-UONOGXRCSA-N 350.419 0.491 0 50 FCAA O=C(Cc1cc(=O)[nH][nH]c1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 216049022 CJLXXBZIQNXWGH-QGZVFWFLSA-N 368.437 0.307 0 50 FCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c2c(F)cccc2c1=O 222990690 PSLNLSDVBSOGCD-CHWSQXEVSA-N 364.329 0.656 0 50 FCAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)Cn2ccc3ccccc32)[C@H]2CCO[C@H]21 223383764 LQVSAUMWLUJMLW-VJUNAUMWSA-N 363.439 0.463 0 50 FCAA COC(=O)Cn1cc(CN2CCN3CCNC(=O)[C@H]3C2)c2ccccc21 244866472 VWTCLANOJDIMMH-QGZVFWFLSA-N 356.426 0.430 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@H](CC(=O)O)C2)cc1 262879294 YROHRZMVDVCQNI-CYBMUJFWSA-N 370.427 0.229 0 50 FCAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C(=O)O)C1 262924980 FNJLCVIIZNORIE-KGLIPLIRSA-N 363.349 0.216 0 50 FCAA CC(C)Cc1cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc(O)n1 299777258 NIUODWJPMOHBOS-GJZGRUSLSA-N 358.402 0.958 0 50 FCAA CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)CC3CCOCC3)C2)n1 328608993 BVPPCSZSSAPEAN-OAHLLOKOSA-N 359.448 0.843 0 50 FCAA CN1CC[C@@H](N2CCC(NC(=O)c3ccnc4c3ncn4C)CC2)C1=O 333524486 WTBHDGWTTCNYFY-CQSZACIVSA-N 356.430 0.393 0 50 FCAA Cc1[nH]c2c(c1C(=O)N1CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]31)C(=O)CCC2 426529202 DSCDNBFFRUYMOM-OLZOCXBDSA-N 365.455 0.395 0 50 FCAA NC(=O)[C@H]1CCCN1C(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 584885530 QWVKOKLWPKOHMD-SNVBAGLBSA-N 359.342 0.625 0 50 FCAA O=C1CN(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)CCCN1 584898136 XKNKAJYNGLWRKS-GFCCVEGCSA-N 350.444 0.884 0 50 FCAA CN(C)CCCNC(=O)COc1c2c(cc3c1C(=O)N(C)CC3)OCO2 823692361 NDFBPJKEHPVRRB-UHFFFAOYSA-N 363.414 0.490 0 50 FCAA biogenic CN1CCO[C@@H](CN=c2nn[nH]n2-c2ccccc2)[C@@H]1c1ccnn1C 886081969 NJIOULMVJNQHIX-HOTGVXAUSA-N 354.418 0.302 0 50 FCAA Cc1nc[nH]c1CN1CCN(Cc2ccncc2)[C@H]2CS(=O)(=O)C[C@H]21 1565525841 CTUKSRUYROGNNS-DLBZAZTESA-N 361.471 0.597 0 50 FCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3c[nH]c(=O)cn3)C1)CC2 1704297272 KOBSPGTTZBBWML-GOSISDBHSA-N 354.414 0.746 0 50 FCAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c(F)c1 1704312372 AGYVPZDTPGVTFC-RYUDHWBXSA-N 352.362 0.692 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc2ccccc2cn1 1704338646 WUUNMSDVMZAIDO-HOCLYGCPSA-N 363.439 0.871 0 50 FCAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)CC2)c1 1857669504 DHDDBPNTDFTGEY-GHTZIAJQSA-N 373.497 0.974 0 50 FCAA COc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc1Cl 1875241917 HHDBLCSONXDQHV-MNOVXSKESA-N 374.846 0.826 0 50 FCAA COC(=O)c1cnc(N2CC[C@@H](C)[C@H](NC(=O)c3ncn(C)n3)C2)nc1 1875341783 HUBKREYBGVDXSE-ZYHUDNBSSA-N 359.390 0.037 0 50 FCAA N=c1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NC3CCOCC3)CC[C@H]2O)c[nH]1 2100545108 HENWTFUGVWSORR-NILFDRSVSA-N 362.430 0.049 0 50 FCAA Cc1[nH]nc2cc(C(=O)N3CC(CCNC(=O)c4cnn[nH]4)C3)ccc12 2325869517 RGHZZHBLLNNKIJ-UHFFFAOYSA-N 353.386 0.882 0 50 FCAA CO[C@@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1NC(=O)Cc1cc[nH]n1 2356162812 LEWRNANCCAZHFL-APHBMKBZSA-N 374.445 0.334 0 50 FCAA Cc1cccc(Cn2c(NC[C@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)c1 1070747 SQPSJIHOKIZGIB-LBPRGKRZSA-N 357.414 0.583 0 50 FCAA COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 38754539 GGKMCGFFYFEKPQ-AWEZNQCLSA-N 355.460 0.830 0 50 FCAA O=C1CN(C(=O)CCC(=O)NC2=N[C@H]3CCCCC[C@@H]3S2)CCN1 41127900 OCYPMGVXKXFVBO-RYUDHWBXSA-N 352.460 0.645 0 50 FCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1nc(-c2cccnc2)no1 72158674 COOUHROGIJKUHI-CYBMUJFWSA-N 358.402 0.347 0 50 FCAA Cn1cc(C(=O)N2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)cn1 72435844 DTPNHZAEYATFMT-CQSZACIVSA-N 360.414 0.738 0 50 FCAA c1coc(-c2nc3c(c(N4CC(N5CCOCC5)C4)n2)CCNCC3)c1 72454405 RJJBDLBTTPSONI-UHFFFAOYSA-N 355.442 0.946 0 50 FCAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@@H]13)O2)N1CCOCC1 77353531 PPWWGFYMLARXBL-XLSPSMHOSA-N 369.421 0.265 0 50 FCAA Cc1nn(CCO)c(C)c1CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)O 91452784 SDAKZTDSNLICGZ-AWEZNQCLSA-N 350.419 0.048 0 50 FCAA C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 91493620 JYRWMOSSGIYSDO-CYBMUJFWSA-N 363.443 0.881 0 50 FCAA CCn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cn1 91713388 XQUWZCGMNDSEDM-UONOGXRCSA-N 362.459 0.983 0 50 FCAA 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366.506 0.883 0 50 FCAA COCCc1noc([C@H](C)NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)n1 244882712 XXAZDERXUSGDPI-SDDRHHMPSA-N 363.422 0.783 0 50 FCAA O=C(CCN1CCOCC1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247366503 GCGFKLZWJKFBEX-KXBFYZLASA-N 360.410 0.798 0 50 FCAA Cc1cc(O)c(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cn1 253536649 JKMGRXUJFOQWRW-CZUORRHYSA-N 356.382 0.496 0 50 FCAA COc1ccccc1N1C[C@H](C(=O)NCC2(CO)CCOCC2)CC1=O 269599594 GUHNUVWCCMCHOH-CQSZACIVSA-N 362.426 0.953 0 50 FCAA Cn1cnc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 291168116 ZGBOTOFXEGXHEX-SNVBAGLBSA-N 355.445 0.460 0 50 FCAA C[C@@H](C(=O)N1CCN(c2nc[nH]n2)CC1)n1cnc2ccccc2c1=O 426473050 YNVGSWAAYIFSJC-LBPRGKRZSA-N 353.386 0.424 0 50 FCAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2ccncc2O)cc1 1565529054 TXRYHHNWUWXZMZ-HOCLYGCPSA-N 357.366 0.852 0 50 FCAA CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC12CCOCC2 1775979143 YCLBLDZZRYCAKK-UHFFFAOYSA-N 371.434 0.410 0 50 FCAA COC1(C(=O)N2CCC[C@@H]2CO)CCN(Cc2nnc(C3CC3)o2)CC1 1857673501 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CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(CN(C)S(C)(=O)=O)o1)C2 213162066 BWYJCGLYAJRTDH-OLZOCXBDSA-N 355.460 0.724 0 50 FCAA C[C@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CCN(C)CC1 220218318 HFZGBAZUTODWHK-AWEZNQCLSA-N 353.488 0.704 0 50 FCAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCC(n4cnnc4)CC3)n2C)C1 244748499 OIRXNOGLRVRNKE-HDJSIYSDSA-N 358.450 0.626 0 50 FCAA Cc1cc(C)cc(CN2CCN(S(C)(=O)=O)[C@H]3CS(=O)(=O)C[C@H]32)c1 247516847 KAGPMZVWMXSHST-CVEARBPZSA-N 372.512 0.546 0 50 FCAA CS(=O)(=O)NCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 252518139 ADNCYEQBMGQHKE-UHFFFAOYSA-N 373.426 0.618 0 50 FCAA Cc1nc(S(=O)(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cn1C 285170278 UFTUSDXVVMTFJF-GFCCVEGCSA-N 366.447 0.666 0 50 FCAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)O)c1 299749895 LZDXTBSZQLNADG-HUUCEWRRSA-N 368.455 0.779 0 50 FCAA Cc1cc(NC(=O)Cn2nc(C)sc2=O)n([C@@H]2CCS(=O)(=O)C2)n1 333276101 DHZCZFQMANGAOM-SNVBAGLBSA-N 371.444 0.116 0 50 FCAA Cn1nccc1[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 376599350 IPZJBGSHURBYKG-ZDUSSCGKSA-N 359.430 0.991 0 50 FCAA CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3cn(C)nc3OC)C2)ccn1 883970164 IRRBQASLAIPDTJ-ZDUSSCGKSA-N 373.413 0.867 0 50 FCAA NC(=O)CN1CCC[C@H](C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)C1 952967018 GMDQHNHBZIGXNZ-HRCADAONSA-N 359.426 0.511 0 50 FCAA COc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCO)c(C)cc1C 1565506840 POQQNFJQSOROQS-ZFWWWQNUSA-N 359.444 0.757 0 50 FCAA CN1C[C@@H](C(=O)N2CCCN(C(=O)C3CCOCC3)CC2)CCC1=O 1772818651 IYFKDLIZVXHUQU-HNNXBMFYSA-N 351.447 0.342 0 50 FCAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cn2cc(Cl)ccc2n1 1857672192 BMNHMOPIPPBCIZ-IHRRRGAJSA-N 364.833 0.942 0 50 FCAA O=C(CCCc1nc(-c2cccnc2)no1)N[C@H]1CCO[C@H](CO)[C@H]1O 1857674789 YFCNMUOFIQAXCS-ZENOOKHLSA-N 362.386 0.081 0 50 FCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cc(-c2ccc(O)cc2)[nH]n1 1857716877 IPLJPZVJYYVOGX-YCPHGPKFSA-N 372.425 0.736 0 50 FCAA O=C(CN1CCc2ccccc2C1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857727742 YRRUDUIETHHHLG-XLIONFOSSA-N 355.438 0.995 0 50 FCAA CCOC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)c1C 1857730781 XEOWKWONMDORTH-STQMWFEESA-N 363.414 0.880 0 50 FCAA CNc1ncnc2c1cnn2C[C@H](O)CCS(=O)(=O)NC(C)(C)C 1875353448 SVOGLCQNOLCNTK-SNVBAGLBSA-N 356.452 0.337 0 50 FCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C1Cc3ccccc3C1)C2 1875395881 OOHOUBFRPOQPTM-HNNXBMFYSA-N 362.451 0.163 0 50 FCAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1N[C@@H](C)c1ccc(O)nn1 1875397871 REKPYSIVYNVJET-FPMFFAJLSA-N 359.434 0.593 0 50 FCAA Cc1cccc2nc(COCC(=O)N3CCO[C@H](c4nnn(C)n4)C3)[nH]c12 2100473678 UFIALLPSKYZAMU-ZDUSSCGKSA-N 371.401 0.512 0 50 FCAA N[C@H](Cc1cc[nH]n1)C(=O)N1CCN(c2nncc3ccccc23)CC1 2325858264 GANRQSUXYWDIPW-MRXNPFEDSA-N 351.414 0.572 0 50 FCAA O=C1CC[C@H](N2Cc3c(NCC(=O)NC4CCC4)cccc3C2=O)C(=O)N1 2325897083 OCHUJJBIHHTSAU-HNNXBMFYSA-N 370.409 0.528 0 50 FCAA COCCN1CCC[C@]2(CCCN2C(=O)Cc2cnc(O)nc2O)C1=O 2356134893 HKPDWBOJZLAEPJ-KRWDZBQOSA-N 364.402 0.060 0 50 FCAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCOCC2)c1 687874 MYNPPSDUDPNCAT-UHFFFAOYSA-N 358.416 0.183 0 50 FCAA CN1N=C(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)CCC1=O 12704083 ZGHJDINJYBMJGJ-OAHLLOKOSA-N 356.426 0.945 0 50 FCAA CCC(=O)Nc1cccc(OCC(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)c1 67714804 IOESXJZGOREZLK-HOTGVXAUSA-N 360.458 0.918 0 50 FCAA Cc1cc(=O)n(CC(=O)NCCc2cc(N3CCCC3)ncn2)nc1C 72462518 DONVZOPJDJJDHS-UHFFFAOYSA-N 356.430 0.609 0 50 FCAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCc1ccccc1-n1cncn1 72475525 GLABUUSWFCELMT-KRWDZBQOSA-N 354.458 0.957 0 50 FCAA CCN(Cc1noc(C)n1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 72480411 YFKSNSHCXYFPNC-CYBMUJFWSA-N 351.451 0.963 0 50 FCAA CCc1cn[nH]c1C1CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1 77393734 HTLAGLCQSLEJRH-AWEZNQCLSA-N 358.446 0.836 0 50 FCAA CCn1c(N)nc2cc(C(=O)N3CCN(C)C4(CCNCC4)C3)cnc21 77519932 VIQWSCSLTFFBHF-UHFFFAOYSA-N 357.462 0.543 0 50 FCAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H]1CCCN(CC(N)=O)C1 91635689 VDLVOKSOXXNRSA-ZDUSSCGKSA-N 357.414 0.892 0 50 FCAA CN1CCN(Cc2nnc(C3CCN(c4cnccn4)CC3)n2C)CC1 92002526 BLKWAHYDDQKLBQ-UHFFFAOYSA-N 356.478 0.737 0 50 FCAA CC[C@@H](c1cccnc1)N(C)C(=O)Cn1nnnc1CN1CCOCC1 95508194 AWXXFYCDEMWQDM-HNNXBMFYSA-N 359.434 0.510 0 50 FCAA Cc1nscc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 179499698 QJVGYYBGPYAGRO-UHFFFAOYSA-N 352.441 0.993 0 50 FCAA CN(CCC(=O)NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 215312154 HOFCZKSHMBYYRL-GFCCVEGCSA-N 368.434 0.827 0 50 FCAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(CC(=O)NCc1ccco1)C2 222259064 IYFGZPUWQBYXTP-SFHVURJKSA-N 370.413 0.423 0 50 FCAA CC(C)Cc1noc(CNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)n1 223666099 NIHXTPCUFUYOFW-GFCCVEGCSA-N 358.464 0.393 0 50 FCAA COc1ccc([C@H](NC(=O)Cc2cnc(C)[nH]c2=O)[C@H]2C[C@H](O)C2)cn1 223862570 LJDUWPNCASYSEQ-QEORTHHSSA-N 358.398 0.653 0 50 FCAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cn(CC(C)C)cn3)C2)n1 328611621 MBJWMRWKPOHLQK-HNNXBMFYSA-N 369.447 0.767 0 50 FCAA Cc1nc2n(n1)CCN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C)C2 329891657 IEIIJYARBUNUIO-LRDDRELGSA-N 357.418 0.190 0 50 FCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2nc3ncccn3n2)cc1 670473276 ZDNSQUBZMQYFMU-UHFFFAOYSA-N 374.426 0.531 0 50 FCAA Cn1cc(O[C@@H]2CN(C(=O)c3ccnc(-n4ccnc4)c3)C[C@H]2O)cn1 862352278 CAXHPTVSTPGHNU-HUUCEWRRSA-N 354.370 0.265 0 50 FCAA CN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCCC3)[C@@H]1c1ccnn1C 886079318 RJXSCYWBGKLWNU-IRXDYDNUSA-N 358.446 0.755 0 50 FCAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(C)(C)C3CCOCC3)C2)C1 888098536 NFJZWLUPHCECEB-LBPRGKRZSA-N 351.447 0.245 0 50 FCAA CCc1nc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)n[nH]1 952978428 LIGAYWOPTDORGE-UHFFFAOYSA-N 371.445 0.664 0 50 FCAA O=C1NCC(=O)N2CCN(C(=O)Cc3csc(-c4ccccc4)n3)C[C@@H]12 952991012 NXBMVNMCERIQGF-AWEZNQCLSA-N 370.434 0.522 0 50 FCAA O=C(CC1=CSC2=NCCCN12)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076029741 UZHZTBBQQPJHQX-KGLIPLIRSA-N 360.443 0.990 0 50 FCAA COc1cc(C(=O)N2CCCN(C(=O)CNC(N)=O)CC2)ccc1F 1529106945 VNGQYPNFZMPAHS-UHFFFAOYSA-N 352.366 0.177 0 50 FCAA NC(=O)Cc1nc([C@@H]2CCn3ncnc3C2)n(CCc2ccccc2)n1 1857675113 LHBRLHSMUNEZBL-CQSZACIVSA-N 351.414 0.870 0 50 FCAA Cc1nonc1C(=O)N1CCC[C@]2(C1)CN(c1ncccn1)CC[C@H]2O 1857684965 LSGYKYJBJCNVMY-DYVFJYSZSA-N 358.402 0.662 0 50 FCAA Cn1nc(CN2C[C@H]3[C@H](N)CS(=O)(=O)[C@H]3C2)c2c(Cl)cccc21 1857731627 MQTNEHNXMCGFMR-PXWWUCIGSA-N 354.863 0.783 0 50 FCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cccc3oc(N(C)C)nc23)N1C 1875402565 HKWFGTKBVUBTFL-XIKOKIGWSA-N 362.430 0.705 0 50 FCAA O=C(CCN1CCCC1=O)N[C@H]1C[C@H](C(=O)NCc2ccccc2)C[C@@H]1O 1940197636 DZMCAGOKQVPBHF-ULQDDVLXSA-N 373.453 0.571 0 50 FCAA COCCN(C)CC(=O)N(C)C[C@@H]1CN(c2cc(C)ncn2)CCO1 2325868120 PGKSYTWKJNBMOI-OAHLLOKOSA-N 351.451 0.027 0 50 FCAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(NS(=O)(=O)NC)cc2)C1 2325889589 XWGQAGORTBWOKR-LBPRGKRZSA-N 366.443 0.926 0 50 FCAA CN1CCCN(c2ncccc2CNS(=O)(=O)N2CCCC2)CC1 12431230 JSQPOFIMJRJIJV-UHFFFAOYSA-N 353.492 0.654 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCc3ccccc3C1)n2CC(=O)O 12443285 DRYOYTKERZONSM-UHFFFAOYSA-N 355.354 0.071 0 50 FCAA biogenic COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 38754541 GGKMCGFFYFEKPQ-CQSZACIVSA-N 355.460 0.830 0 50 FCAA CCn1c([C@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)nn(C)c1=O 67603552 OPPNRUOICRGTMI-ZDUSSCGKSA-N 369.429 0.753 0 50 FCAA COc1cccc(NC(=O)C[C@H]2COCCN2C(=O)CCn2cnnc2)c1 72408983 SHJGTJNYZHHHKC-HNNXBMFYSA-N 373.413 0.933 0 50 FCAA CC(=O)N[C@H]1CCN(c2ncnc3c2CCN(c2cnccn2)CC3)C1 72447432 OMCMOHDQWHRKQY-AWEZNQCLSA-N 353.430 0.587 0 50 FCAA CN(C)c1nc(N2C[C@H]3C(=O)N(CC4CC4)C[C@@]3(C(=O)O)C2)ncc1F 77518643 GKWZMMCKBCUXNV-APPDUMDISA-N 363.393 0.441 0 50 FCAA O=C(c1cccc(-n2cnnc2)c1)N1CCN(C(=O)N2CCOCC2)CC1 91462117 FFPRYXOZJIKXAF-UHFFFAOYSA-N 370.413 0.477 0 50 FCAA COCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 91846523 QMWIUOLJUYWYGR-CYBMUJFWSA-N 353.448 0.831 0 50 FCAA COCCN1CCN(Cc2cc(F)ccc2F)[C@H]2CS(=O)(=O)C[C@H]21 91907344 ARWJAHRQMCLJIC-CVEARBPZSA-N 360.426 0.894 0 50 FCAA COc1ccc(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)cc1C(N)=O 97334200 XPPBVEIZHLRNFQ-NSHDSACASA-N 363.418 0.113 0 50 FCAA CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(Cn2ccnn2)CC1 120467589 ZDYDETDMGKYQET-CYBMUJFWSA-N 357.480 0.481 0 50 FCAA Cn1nc(C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)ccc1=O 216232759 BJLVOIQDDNUQLH-UHFFFAOYSA-N 364.409 0.661 0 50 FCAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCCn2ccccc2=O)[C@@H]3C1=O 221223796 TXIIRNWNJCBZHI-REGYPHIPSA-N 371.437 0.547 0 50 FCAA CCN1CCN(C(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)CC1=O 222636738 FMTPEMVRJXLORP-IBGZPJMESA-N 372.425 0.855 0 50 FCAA O=C(NCCCCO)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 225628657 INJBXVULLFSYHY-CQSZACIVSA-N 356.444 0.646 0 50 FCAA C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 241784794 RWVBIFSTKXICRG-FXUDXRNXSA-N 353.463 0.002 0 50 FCAA CS(=O)(=O)NC1CCN(Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)CC1 244748691 OMOHZERCVGTPGU-TXEJJXNPSA-N 368.507 0.331 0 50 FCAA O=C1CCC(CCC(=O)N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)=NN1 244795754 RMYXALCISVGLDO-BJHJDKERSA-N 360.418 0.289 0 50 FCAA Cc1sc2nc(CCC(=O)NC[C@](C)(O)C(=O)O)nc(O)c2c1C 262422853 REQVMUCSOBZOGG-HNNXBMFYSA-N 353.400 0.898 0 50 FCAA Cc1nccc(N2CCN(c3cc(N4CCC[C@H]4CO)ncn3)CC2)n1 273536372 VQGBFKLYXLCNMH-HNNXBMFYSA-N 355.446 0.863 0 50 FCAA CS(=O)(=O)N1CCC[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)C1 299743864 POAWZNQNULTZKM-LSDHHAIUSA-N 366.439 0.696 0 50 FCAA Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 299746516 XXGNBMKWJWGNHG-RKDXNWHRSA-N 355.338 0.921 0 50 FCAA CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2F)C[C@H]1O 299779833 OFCSNHYLZQQFPF-HUUCEWRRSA-N 373.450 0.116 0 50 FCAA C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC(Cc2ccc(F)cc2)C1 378314395 NIRZLZYDKDFHMF-LLVKDONJSA-N 374.416 0.551 0 50 FCAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCN([C@H]2COC[C@@H]2O)CC1 426478241 YZLGPGWBGJTIAN-RYUDHWBXSA-N 362.352 0.347 0 50 FCAA Cn1cncc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670454648 FWZPWHICYXQTBC-VDUSKEEQSA-N 351.454 0.718 0 50 FCAA CS(=O)(=O)N1CCN(C(=O)CC[C@H]2C(=O)Nc3ccccc32)CC1 952964013 OJJQNXTWYDCZFZ-CYBMUJFWSA-N 351.428 0.606 0 50 FCAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)[C@H](C)CC(N)=O 952987027 IOLUPOASIYALSH-LLVKDONJSA-N 352.416 0.765 0 50 FCAA COC[C@H]1CCCN(S(=O)(=O)N2CCC3(CCC(=O)N(C)C3)CC2)C1 1506428261 YPOJCEDNDRQTEP-HNNXBMFYSA-N 373.519 0.924 0 50 FCAA Cc1cnn(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)c1 1565525241 KPWAPZGMXWOLRC-HOTGVXAUSA-N 358.398 0.643 0 50 FCAA O=C(NCCc1cn2cccnc2n1)[C@@H]1CC(=O)N(c2nccs2)C1 1857732455 RDZDKTSEVRCRNC-LLVKDONJSA-N 356.411 0.898 0 50 FCAA COc1nc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nn1C 2100473567 CTWRUMRTGWPXRP-HUUCEWRRSA-N 357.414 0.722 0 50 FCAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CC3(COc4ccccc4C3)C1)CC2 2100483107 RTLDXXYDNZBYCT-CQSZACIVSA-N 354.410 0.608 0 50 FCAA Cc1nc2c(C(=O)N3C[C@@H](O)[C@H](Cc4cnccn4)C3)ccnc2n1C 2100533994 OTQBYXVQQLOWDV-IUODEOHRSA-N 352.398 0.742 0 50 FCAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 2100539478 KCVGRIUGXPYLLU-IACUBPJLSA-N 361.402 0.542 0 50 FCAA C[C@@H]1N(c2nnnn2CCCN2CCCS2(=O)=O)CCC1(F)F 2325777511 IHWUDFPGSAGIHE-JTQLQIEISA-N 350.395 0.333 0 50 FCAA O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1 2507152 INMHJULHWVWVFN-UHFFFAOYSA-N 368.366 0.580 0 50 FCAA in-vitro CCn1c([C@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)nn(C)c1=O 67819007 XMDJQTVZNSEYJD-LBPRGKRZSA-N 368.463 0.212 0 50 FCAA Cc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)c(=O)[nH]1 71758958 DSFFEYDOJOHKQI-UHFFFAOYSA-N 355.398 0.508 0 50 FCAA O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NCCOc1ccccc1 72120883 BZVBKQREPACJLI-SFHVURJKSA-N 368.437 0.967 0 50 FCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCO)c(F)c1 72129400 JVAWDMUZHNFIBK-HNNXBMFYSA-N 353.394 0.023 0 50 FCAA COc1cccc(NC(=O)N2CCC[C@](O)(CNS(C)(=O)=O)CC2)c1 72140484 KMMCEIJHOXWTPT-MRXNPFEDSA-N 371.459 0.993 0 50 FCAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3cccc(CO)n3)C2)n1C 72425589 NTOLRQQJWPOMBV-CYBMUJFWSA-N 358.446 0.784 0 50 FCAA C[C@@H]1CCCN(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 72446742 LNOJTKGLLYOOJH-OAHLLOKOSA-N 374.551 0.743 0 50 FCAA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1=O 77301387 YESNIPDJRAGITP-HNNXBMFYSA-N 358.398 0.219 0 50 FCAA CN(CCO)C[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@@H]1CO 91390696 HVTVTVSCCTYMNK-HUUCEWRRSA-N 361.417 0.979 0 50 FCAA O=C(Cn1ccccc1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91829544 QSRBXTKCJKTKLN-DZGCQCFKSA-N 372.450 0.954 0 50 FCAA O=C(NCc1ncc2c(n1)CCC2)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 91943654 OTOYALUVBRHULQ-CABCVRRESA-N 357.458 0.430 0 50 FCAA O=C(NCC(F)F)c1ccc(S(=O)(=O)NCCn2cccn2)cc1 91952308 BKPGPPFMEAXUIB-UHFFFAOYSA-N 358.370 0.857 0 50 FCAA Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 95378333 KPQHTOUCXKAUJF-UONOGXRCSA-N 352.460 0.733 0 50 FCAA CN(C)CCN1C[C@@H](C(=O)N2CCC(Oc3cccnc3)CC2)CC1=O 95386357 SEZYJYKFAHSLJP-HNNXBMFYSA-N 360.458 0.862 0 50 FCAA Cc1ccc(-n2nc(CC(N)=O)nc2CCn2ccc(=O)[nH]c2=O)c(C)c1 96151404 UYXQVHGLEILLIN-UHFFFAOYSA-N 368.397 0.005 0 50 FCAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 186124598 SNJSWLHZXQDHIO-OAHLLOKOSA-N 351.472 0.888 0 50 FCAA Cn1cnc(S(=O)(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1 223943931 FRZIZPCZBOZIIC-ZIAGYGMSSA-N 352.416 0.468 0 50 FCAA NC(=O)C[C@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1 262644353 TUUTYZHOMLOSIU-AEFFLSMTSA-N 369.469 0.915 0 50 FCAA CCNS(=O)(=O)[C@H]1CCN(c2ncc(C(=O)N(C)C)cc2Cl)C1 271289147 DSQJDJZKIVXFFS-NSHDSACASA-N 360.867 0.955 0 50 FCAA O=C(N[C@@H]1CNC[C@H]1O)C1CCN(C(=O)c2ccccc2Cl)CC1 299779142 QPTYBGWYLGIIAB-HUUCEWRRSA-N 351.834 0.641 0 50 FCAA Cc1nc(CNC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cs1 299800428 VPPLYTMLQQAMTL-CQSZACIVSA-N 357.501 0.967 0 50 FCAA CN(C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 408019295 XRMADXAAYQUCSM-CMPLNLGQSA-N 358.441 0.344 0 50 FCAA CC(C)Oc1ccc(CCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1 426503180 LOEMDUPEPDYLNY-CQSZACIVSA-N 372.425 0.747 0 50 FCAA COCCN1CC[C@H](CNS(=O)(=O)c2cccc3nn(C)nc23)C1 670458278 RJKUVLSQESUUQT-GFCCVEGCSA-N 353.448 0.215 0 50 FCAA O=C(CCc1cccnc1)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 759366433 YNWDLWUWFJRJLB-UHFFFAOYSA-N 359.407 0.805 0 50 FCAA Cc1cn(CC(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)nc1C(F)(F)F 864339699 HOLQUNXNSYWJIO-GHMZBOCLSA-N 356.352 0.897 0 50 FCAA Cc1cc(N)n(CC(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)n1 1565511377 GQUOFTOQTOGDDE-STQMWFEESA-N 351.432 0.721 0 50 FCAA CN(C)C[C@@]12CN(Cc3cncnc3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 1772807587 PJHAURZDNVFXOX-QUCCMNQESA-N 373.501 0.725 0 50 FCAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2c(C)cc(C)nc2=O)CC[C@H]1N 1857738862 BRZKJLGRIMJRKE-ARFHVFGLSA-N 350.463 0.899 0 50 FCAA O=C(O)[C@]12CC[C@]1(C(=O)O)CN(C[C@@H](O)COCc1cccs1)C2 1875329603 FFCNIDLSYJIZEV-HFBAOOFYSA-N 355.412 0.877 0 50 FCAA Cn1cnc(C[C@H](O)C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)c1 2325860697 QAFUIFZFEQVCEP-KGLIPLIRSA-N 350.806 0.710 0 50 FCAA Cn1[nH]c(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)nc1=O 2356146514 JKKQVIBIKIWUGL-GOSISDBHSA-N 370.413 0.301 0 50 FCAA COC1(CN(C)C)CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 2356157983 ALZKVAQPLPVZLE-UHFFFAOYSA-N 358.446 0.774 0 50 FCAA Cc1cccc(Cn2c(NCCN(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 637501 DVOAFYACSHYASB-UHFFFAOYSA-N 356.430 0.754 0 50 FCAA biogenic Cc1c(-c2ccccc2)n(CCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12 1430320 ALNBYDBWPWMUOM-UHFFFAOYSA-N 353.382 0.654 0 50 FCAA Nc1nc(N)nc(CCCn2c(-c3nonc3N)nc3ccccc32)n1 2155481 APRIRECKHDJPIP-UHFFFAOYSA-N 352.362 0.651 0 50 FCAA COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1 4810400 JUEYNCHMRVHJQF-ZDUSSCGKSA-N 363.439 0.384 0 50 FCAA CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(CC)CC2)c1 16579754 KVIWOFWTEMQGLY-UHFFFAOYSA-N 355.460 0.771 0 50 FCAA Cc1cc(F)ccc1N1CCC(N2CCN3C(=O)CNC(=O)[C@H]3C2)CC1 65532223 CWVAXWITZAELOC-QGZVFWFLSA-N 360.433 0.746 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)/C=C/c3ccccc3)nn2)CN1 67821014 HJRLMPGVGLAEAJ-LJFOUZCWSA-N 368.441 0.647 0 50 FCAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-n2cc(C(=O)O)cn2)c1 71752637 WBZUCFSTNCPXNG-UHFFFAOYSA-N 353.356 0.955 0 50 FCAA O=C([C@H]1CNCCN1C(=O)c1cnc(-c2cccnc2)nc1)N1CCCC1 72154957 VDCAXQOUHZJNLX-MRXNPFEDSA-N 366.425 0.575 0 50 FCAA COc1cc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)nc(N)n1 72406819 QQJCKWFJBCRYSX-SFHVURJKSA-N 362.478 0.838 0 50 FCAA O=c1[nH]cc(CCNc2nc(CC3CC3)nc3c2CCNCC3)c(=O)[nH]1 72408925 SKHFJFDBMXRMTI-UHFFFAOYSA-N 356.430 0.149 0 50 FCAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCNC(=O)CC2)[C@H]3C1=O 77457181 KRPFRHAPADKPOB-WGDDSDEBSA-N 361.442 0.163 0 50 FCAA O=C(CN1CCOc2ccccc2C1)NCc1cc2n(n1)CCCNC2 82157546 PVOWQLFTOKCPTF-UHFFFAOYSA-N 355.442 0.887 0 50 FCAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccc(C)n(C)c1=O 91468417 RQHZDJHDBUDYKO-JSGCOSHPSA-N 355.460 0.484 0 50 FCAA O=C1CN(CC(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)C(=O)N1 91476426 FWBIEGLOBWVAPW-SFHVURJKSA-N 362.430 0.179 0 50 FCAA COCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 91645557 YATNKCNXHBCOKP-ZIAGYGMSSA-N 354.472 0.907 0 50 FCAA Cc1cccc(N2CCN(CCC(=O)N[C@H](C)c3n[nH]c(=O)[nH]3)CC2)c1 95374841 JTBFKJWEXPAMJJ-CQSZACIVSA-N 358.446 0.796 0 50 FCAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1CO 95381213 WLUVOPYJVUQDPT-IAGOWNOFSA-N 373.457 0.730 0 50 FCAA CN1CCC(Cc2nc(CCN(C)[C@@H]3CCS(=O)(=O)C3)n(C)n2)CC1 96149352 FWDFIXVLWWEEHP-OAHLLOKOSA-N 369.535 0.361 0 50 FCAA CN1CC[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1=O 170616364 UGCVAHMREKUZTA-VIFPVBQESA-N 367.349 0.922 0 50 FCAA NC(=O)[C@H]1CC(C(=O)N2CC[C@H](N3CCCC3)C2)=NN1c1ccc(F)cc1 171442378 ASHULRFNPYXHJQ-DOTOQJQBSA-N 373.432 0.942 0 50 FCAA Cc1ccccc1OC[C@H](O)C(=O)N1CCC(O)(Cn2ccnc2)CC1 219732907 IJZOQFIJFPTLKE-INIZCTEOSA-N 359.426 0.985 0 50 FCAA CN(CC(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O)Cc1ccc(F)cc1 222822554 JOEPIQLLSMWBMT-CABCVRRESA-N 354.378 0.632 0 50 FCAA COCC(=O)N1CCCN(CC(=O)Nc2nc(C)c(C(=O)O)s2)CC1 244884210 YHLRGJKNFDNCKD-UHFFFAOYSA-N 370.431 0.269 0 50 FCAA CN(C)S(=O)(=O)CCNC(=O)CCc1nc(O)c2ccccc2n1 252491244 LJKWHVIQPNVEPO-UHFFFAOYSA-N 352.416 0.276 0 50 FCAA Cc1cc(C)n2c(CNC[C@H]3CCn4ncc(C(N)=O)c4C3)cnc2n1 299744585 SZHHNHAPSMZZEQ-ZDUSSCGKSA-N 353.430 0.994 0 50 FCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)Cn1ncc3ccccc3c1=O)CC2 299788141 WZJSOYHIQFIXTK-SIXWZSSISA-N 357.410 0.927 0 50 FCAA CC(C)c1nsc(N2CCO[C@H](CNc3nccn(C)c3=O)C2)n1 328657081 ZZBHEWCSKASDDX-LLVKDONJSA-N 350.448 1.073 0 50 FCAA Cc1oc(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1S(=O)(=O)N(C)C 331750012 FZMDVEWZCILPEU-NWDGAFQWSA-N 369.443 0.722 0 50 FCAA C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 363234945 UYRHLELHHLIXAD-IUODEOHRSA-N 370.413 0.852 0 50 FCAA C[C@H]1CN(C(=O)CN2CCn3c(nnc3-c3cccnc3)C2)C[C@H](C)O1 375874471 QQVKFCMWSHPHPP-KBPBESRZSA-N 356.430 0.792 0 50 FCAA CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)n1cccc1 426399446 RRRLBOJKJHPVOT-OAHLLOKOSA-N 370.475 0.160 0 50 FCAA Cn1cnnc1SCC(=O)N1CCC[C@H](c2ccn(CCO)n2)C1 426571836 TZNWGGAJLGOTNJ-LBPRGKRZSA-N 350.448 0.502 0 50 FCAA COc1nccnc1N1CCC2(CC1)CN(C(=O)Cn1cccn1)CCO2 824853278 OWSXFOLMYWUKMR-UHFFFAOYSA-N 372.429 0.580 0 50 FCAA O=C(O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@H](CO)C1 828711065 AMTNMWFOTHDPKC-ZDUSSCGKSA-N 356.444 0.758 0 50 FCAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CCc3c[nH]nc3C2)N1Cc1ccccc1 879262783 ZQPRWVVSVSBIHL-DLBZAZTESA-N 353.426 0.813 0 50 FCAA CCNS(=O)(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 908460085 MIWYRBRPRUFLMV-RKDXNWHRSA-N 350.384 0.282 0 50 FCAA O=C1C[C@H](CC(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C(=O)N1 935215322 WUAQDTJWWFJLTH-DTWKUNHWSA-N 351.309 0.239 0 50 FCAA COCCN1C[C@H](C(=O)Nc2cc(OC)cc(-n3cnnn3)c2)CCC1=O 952966163 ICTCWKKZOPKVRK-GFCCVEGCSA-N 374.401 0.494 0 50 FCAA COc1cccc(CC(=O)N2CCC(CNC(=O)[C@H]3CCC(=O)N3)CC2)c1 952973660 FODIJBYEBMMXGW-QGZVFWFLSA-N 373.453 0.871 0 50 FCAA NC(=O)COc1cccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857725321 QCANDVJGPGTCQP-YQQAZPJKSA-N 359.426 0.532 0 50 FCAA CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CO)Cc2cccs2)n[nH]1 1875349489 ZLEAEKXTOSNURV-SECBINFHSA-N 359.429 0.530 0 50 FCAA Cn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H](O)C3CCCC3)[C@@H](F)C2)nn1 1875359764 PIQCBSVJIQGWML-OBJOEFQTSA-N 353.398 0.035 0 50 FCAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cn(C4CCC4)nn3)C2)cc[nH]1 1875397492 BUPMXQWWOGEHGX-CABCVRRESA-N 358.450 0.250 0 50 FCAA Cc1cnc(N2CCC(NC(=O)[C@H]3CCCc4ncnn43)CC2)nc1O 1875405560 JPSSSFWKRSKBJY-CYBMUJFWSA-N 357.418 0.745 0 50 FCAA CCn1cc(C(=O)N2C[C@H]3[C@@H](Nc4nc(C)nc(=N)[nH]4)CC[C@H]3C2)nn1 1875406142 YAHOXRMOYHEBDU-TUAOUCFPSA-N 357.422 0.167 0 50 FCAA Cc1nc(O)nc(C)c1CCC(=O)N1CCc2nc(C(N)=O)cn2CC1 1940194822 VIAMVEUZECGYQH-UHFFFAOYSA-N 358.402 0.112 0 50 FCAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2cnc3ccccc3n2)ncn1 2325786129 DEBONEHQSOPEPO-VXGBXAGGSA-N 365.397 0.372 0 50 FCAA C[C@H]1C(c2ccccc2)=NN(CCO)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4593516 STJNAIAVQZCCIQ-NSHDSACASA-N 368.397 0.211 0 50 FCAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)[C@@H]1CCCO1)C2 67789704 JCNXWHBTEADNRQ-INIZCTEOSA-N 355.398 0.729 0 50 FCAA Nc1nc(N2CCN(c3nccc(CCC(F)(F)F)n3)CC2)cc(=O)[nH]1 71416224 ALOATUWIYLVCSA-UHFFFAOYSA-N 369.351 0.964 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccc(-n3cnnc3)c1)C2 72129772 BTFIJYMULJGYPT-UHFFFAOYSA-N 365.397 0.615 0 50 FCAA COC[C@H](O)CNC(=O)c1cn2cc(-c3cc(C)oc3C)n(C)c(=O)c2n1 72420268 HLUQFKSGKZTNRE-GFCCVEGCSA-N 374.397 0.647 0 50 FCAA Cc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-n3cnnn3)C[C@H]2N(C)C)cc1 77302729 NOYGTMBDKDEVED-JKSUJKDBSA-N 366.429 0.864 0 50 FCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](N)C1CC1)C2 77471040 IFLGLHWHOFVQEL-INIZCTEOSA-N 367.471 0.233 0 50 FCAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cn(CCN4CCNCC4)nn3)C2)n1 77489175 CTQIPXAQIVYHDH-MRXNPFEDSA-N 372.477 0.084 0 50 FCAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccon2)CN1Cc1cn(CC)nc1C 91663971 PEGQOJFSFZLGRD-HOCLYGCPSA-N 374.445 0.708 0 50 FCAA COCCc1noc(CN(C)C(=O)[C@H]2CCCN(C(=O)N(C)C)C2)n1 95356090 JWYQKJFEWWNNEI-LBPRGKRZSA-N 353.423 0.611 0 50 FCAA COCCn1nnnc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)CCO1 97655373 BUFPVEBPPGAVKH-LBPRGKRZSA-N 366.447 0.535 0 50 FCAA CCOC(C)(C)C(=O)N1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 218919390 XXTHVDMDRZDWOV-AWEZNQCLSA-N 352.435 0.552 0 50 FCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3c[nH]cn3)N=C2O)cc1 252539149 NUDUEHSYBHNDJT-OAHLLOKOSA-N 371.397 0.792 0 50 FCAA COC(=O)c1cc(NC(=O)[C@H](C)N2CC[C@H](O)C2)cc(C(=O)OC)c1 265162695 BZGBKBZRFKHVCP-HZMBPMFUSA-N 350.371 0.653 0 50 FCAA COc1ccc(NC(C)=O)cc1NC(=O)NCCS(=O)(=O)N(C)C 289472136 JDDMCHWMZFILDH-UHFFFAOYSA-N 358.420 0.667 0 50 FCAA COCc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 332467744 RHLYNZYUWSJYAC-INIZCTEOSA-N 352.456 0.778 0 50 FCAA CC(=O)c1c(C)nn(CCC(=O)N2CCN(c3ncc[nH]c3=O)CC2)c1C 426370932 JAUDHYDZWWGXKA-UHFFFAOYSA-N 372.429 0.525 0 50 FCAA CSCc1noc(CNC(=O)N2CCN(Cc3nccn3C)CC2)n1 534649313 NLXPGOOTEXXHGA-UHFFFAOYSA-N 365.463 0.694 0 50 FCAA Cc1cccc(=O)n1CCCNC(=O)N1CCN(CCn2cncn2)CC1 584897772 MQTOYZVBTKXSIA-UHFFFAOYSA-N 373.461 0.166 0 50 FCAA COc1cccc(CN2CCN(C(=O)N[C@@H](C)c3ncnn3C)CC2=O)c1 584904046 OPZUKEPCLSALAA-ZDUSSCGKSA-N 372.429 0.939 0 50 FCAA Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)CCn1cc(Cl)cn1 888076869 PCLZLJOYHPDRME-BXUZGUMPSA-N 350.810 0.796 0 50 FCAA Cc1cccn2cc(CC(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)nc12 888094440 PTYNEQIVXQUUCJ-JKSUJKDBSA-N 355.398 0.881 0 50 FCAA NC(=O)CN1CCC[C@@H](C(=O)NC[C@H]2CCN(c3ccccc3F)C2)C1 952860399 OWEPGPYCKZUUEK-HUUCEWRRSA-N 362.449 0.966 0 50 FCAA Cc1nc(SCC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)n[nH]1 1073286306 VDTSCIWOEYJMIX-NEPJUHHUSA-N 352.464 0.810 0 50 FCAA O=C(NCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1)c1ccc(F)cc1 1076103973 CLFQIUQTRWMJRT-CVEARBPZSA-N 373.388 0.910 0 50 FCAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(CCn2cncn2)CC1 1506419354 AUFZAWZUAHFEQG-INIZCTEOSA-N 354.458 0.874 0 50 FCAA CC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)s1 1704307566 AGXZLBURMBWDII-RYUDHWBXSA-N 352.412 0.808 0 50 FCAA COCC1(C(=O)N2CCCN(Cc3c[nH]nc3C(=O)O)CC2)CCC1 1775977564 JYDQQWQPLIUTCT-UHFFFAOYSA-N 350.419 0.959 0 50 FCAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CCCc1ccsc1)C2 1857528894 XNTBHOVRCAFKCU-ZDUSSCGKSA-N 370.496 0.833 0 50 FCAA CN1CCN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CC12CCOCC2 1857726581 YFYBGBPZYZIVHG-ZDUSSCGKSA-N 364.471 0.819 0 50 FCAA CN(C)C[C@@H]1OCCN(C(=O)CNc2cccnc2)[C@H]1c1cnn(C)c1 1857734730 ORUIITYKSBYYPI-WMZOPIPTSA-N 358.446 0.757 0 50 FCAA O=C(c1cnc(OCC(F)F)c(Cl)c1)N1CCNS(=O)(=O)CC1 1875299464 LYQIIKXDWLGOMD-UHFFFAOYSA-N 369.777 0.754 0 50 FCAA Cc1cc(F)c(C(=O)N2CC3(C2)[C@H](C(=O)O)CCS3(=O)=O)cc1F 1875393536 NUPGINBLNNEJIT-JTQLQIEISA-N 359.350 0.987 0 50 FCAA CN1C[C@@H](O)[C@H](CC(=O)NCc2cc(F)ccc2CS(C)(=O)=O)C1 1875403376 UYUJQDGZICZZSE-UKRRQHHQSA-N 358.435 0.299 0 50 FCAA Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](NCc2nnnn2C2CC2)C12CCC2 1875407306 XBSPROXBNQGETD-STQMWFEESA-N 356.434 0.870 0 50 FCAA CNC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 2325749372 FQZAJZYDCZWQRH-ZIAGYGMSSA-N 363.462 0.206 0 50 FCAA NC(=O)C12C3C4C1C1C2C3C41C(=O)N[C@H]1CCC[C@H](N2CCCC2=O)C1 2325828451 HSBLVBKXHTTWTK-MXIVGZDDSA-N 355.438 0.260 0 50 FCAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cn12 2356152170 CXOXHJMYSBQMMI-AWEZNQCLSA-N 370.417 0.499 0 50 FCAA CCOC(=O)COc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 793327 HHKZYDQKLSAXOO-UHFFFAOYSA-N 363.378 0.528 0 50 FCAA CCS(=O)(=O)N1C[C@@H](C(=O)NC[C@@H]2CCCO2)Oc2ccccc21 16650454 VGXPYDLKHXLGOI-WFASDCNBSA-N 354.428 0.899 0 50 FCAA O=C(NCCN1CCOCC1)c1cnc2sc3c(n2c1=O)CCCC3 20664966 SAFLPKIUYQORSJ-UHFFFAOYSA-N 362.455 0.697 0 50 FCAA COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 65362642 QLPJYKNGQCGEKQ-UHFFFAOYSA-N 355.460 0.672 0 50 FCAA CN1CCN2CCN(C(=O)C(=O)Nc3ccccc3Cl)C[C@H]2C1=O 65509378 JUGPOCNHUZHGID-ZDUSSCGKSA-N 350.806 0.263 0 50 FCAA CCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1 72117461 ONUFICDHRIBHKB-UHFFFAOYSA-N 368.507 0.090 0 50 FCAA Cc1nc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)no1 72418872 HVSWBUCWHXOVND-SNVBAGLBSA-N 352.420 0.651 0 50 FCAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)Cn2cncn2)C1 72473295 WNFNGFXOHNVMGB-CQSZACIVSA-N 358.450 0.409 0 50 FCAA COc1cccc([C@@H]2CN(C(=O)Cc3nc(C)n[nH]3)C[C@H]2C(=O)O)c1OC 91643267 VXDLDIUMXKRNGA-QWHCGFSZSA-N 374.397 1.000 0 50 FCAA O=c1cc(N2CCOCC2)cnn1Cc1cc(=O)n2cc(Cl)ccc2n1 95353587 CBXDSLGGVXXXTL-UHFFFAOYSA-N 373.800 0.790 0 50 FCAA CC(C)CN1CC2(CCN(C(=O)c3c[nH]nc3-n3cnnn3)CC2)CC1=O 95391135 YCMHMXLTBXXHPR-UHFFFAOYSA-N 372.433 0.496 0 50 FCAA Cn1c(C(=O)NCCc2nccc(-c3ccccc3)n2)cc(=O)n(C)c1=O 95503242 CBAYUBAKDIRHNE-UHFFFAOYSA-N 365.393 0.514 0 50 FCAA Cc1c[nH]c(CN2C[C@@H]3CN(c4ncccn4)C[C@]3(C(=O)O)C2)c(C)c1=O 96152945 PZBAOUSAVDUSKP-AUUYWEPGSA-N 369.425 0.805 0 50 FCAA Cn1c(C(=O)NCc2nc(Cc3cccs3)no2)cc(=O)n(C)c1=O 97578438 WPMVWAROMRXMPO-UHFFFAOYSA-N 361.383 0.049 0 50 FCAA O=C(CCn1ccccc1=O)N[C@H]1CC[C@@H](C(=O)NC2CCOCC2)C1 216757052 YAQCGVWMGQESPD-ZBFHGGJFSA-N 361.442 0.819 0 50 FCAA CCN1C[C@]2(C(=O)O)CN(C(=O)Cc3cnc4ccccn34)C[C@@H]2C1=O 216855116 NPHVHYQTJGGEAQ-ACJLOTCBSA-N 356.382 0.268 0 50 FCAA Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)cc1 237682161 WTNPPAQLIHFERQ-CYBMUJFWSA-N 365.459 0.672 0 50 FCAA CNS(=O)(=O)c1ccc(CCC(=O)NC2(C(=O)O)CCOCC2)cc1 240203780 JTFXPQOOECAISN-UHFFFAOYSA-N 370.427 0.277 0 50 FCAA COc1ccc(NC(=O)CN2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)cc1 244708254 KQCZLAYFWSYGHA-DNVCBOLYSA-N 361.442 0.939 0 50 FCAA CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CNC[C@@H](C(=O)N2CCCC2)C1 248070860 ATASUPOKPMNJMO-IRXDYDNUSA-N 361.490 0.659 0 50 FCAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCC(=O)N=c2cc[nH]cc2)CC(=O)N1C 328620897 HJPSSMOQPMYYIM-RDTXWAMCSA-N 356.430 0.354 0 50 FCAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 329033169 QJUYYEBREKSYDY-GZBFAFLISA-N 370.475 0.428 0 50 FCAA O=C(O)[C@]1(N2CCN(Cc3nnnn3-c3ccccc3)CC2)CCOC1 886071767 HALGKEGJWSUOHP-KRWDZBQOSA-N 358.402 0.024 0 50 FCAA NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1 924373818 PUINEFDNYOMFFY-NEPJUHHUSA-N 359.817 0.986 0 50 FCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2 952850723 PEQJPLVPAONXOH-APWZRJJASA-N 354.410 0.895 0 50 FCAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCCO)ccc1N1CCOCC1 1565508607 OALCTJWVYTZGNR-WMZOPIPTSA-N 364.442 0.728 0 50 FCAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cc(C(=O)O)ccc1F)C2 1704314450 QVHSVLXXNOFZAG-PWSUYJOCSA-N 358.391 0.475 0 50 FCAA O=C1CCCc2cn(nn2)CCOc2ccc(F)cc2C(=O)NCCN1 1704316638 YCIMHANCKWJELZ-UHFFFAOYSA-N 361.377 0.679 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(Cl)cc1 1704358384 JPBYHELQVVDKKG-GXTWGEPZSA-N 360.863 0.905 0 50 FCAA Cn1ccnc1[C@@]1(CNC(=O)c2cc3sccc3[nH]2)NC(=O)NC1=O 1775985550 OKLLKISVGIOBFR-OAHLLOKOSA-N 358.383 0.428 0 50 FCAA O=C(CN1CCOCC1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857674304 CPPDRRXITVMSTK-IBGZPJMESA-N 359.426 0.595 0 50 FCAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857737482 OFTAGZYFOROQAE-BEFAXECRSA-N 368.393 0.729 0 50 FCAA CCCNC(=O)N1CCc2nc(C(=O)N[C@H](C)Cn3cncn3)cn2CC1 1875246608 SBFLJNNBQAJAAM-CYBMUJFWSA-N 374.449 0.271 0 50 FCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO1 1875332013 JWXNEYYQVHLISU-SGMGOOAPSA-N 358.398 0.664 0 50 FCAA CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cnn(CCN)c2)c1 1875346641 KBEARICGWQMDCH-UHFFFAOYSA-N 365.459 0.459 0 50 FCAA COc1ccc(S[C@@H](C)C(=O)N2CC(C(=O)O)(S(C)(=O)=O)C2)cc1 2325870393 VYRAVPZQOCBCIJ-JTQLQIEISA-N 373.452 0.886 0 50 FCAA O=C(CCc1ccc(O)nn1)N1CCc2nc(C3CCOCC3)nn2CC1 2356147729 LTZBGYVBLIJXCP-UHFFFAOYSA-N 372.429 0.685 0 50 FCAA Cc1nn(CC(=O)N2CC[C@H]3[C@@H]2CCN3CCO)c(=O)c2ccccc12 2356168782 NPRDROSMILJMOO-IRXDYDNUSA-N 356.426 0.372 0 50 FCAA COc1ccc(OC)c(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 879159 UMGJFVBEZJFSPA-CYBMUJFWSA-N 372.443 0.765 0 50 FCAA CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccccc1OC 10339411 BPYFEKKVNLPAGF-CABCVRRESA-N 361.398 0.734 0 50 FCAA Cc1cccc(CN2CCN(C(=O)c3cn(CCN)nn3)[C@@H](C)C2=O)c1 55401112 UGYLLMHGOPEEJS-AWEZNQCLSA-N 356.430 0.418 0 50 FCAA Cn1c(=O)n(C)c2cc(CNc3nccc(N4CC[C@H](O)C4)n3)ccc21 65381585 XERDBAKMBQVEIW-ZDUSSCGKSA-N 354.414 0.850 0 50 FCAA Cc1noc2nc3c(c(C(=O)N4CCN5CCNC(=O)[C@H]5C4)c12)CCC3 65505492 VKPBEZNHRKQSDX-CYBMUJFWSA-N 355.398 0.276 0 50 FCAA CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)Nc3cc(C)ccc3C)nn2)CN1 67755073 FFDAQYBVGDKCPW-HOCLYGCPSA-N 371.445 0.866 0 50 FCAA Cc1cc(NC(=O)C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)no1 71777152 SEWCMHASKNOJFX-UHFFFAOYSA-N 372.385 0.133 0 50 FCAA Cc1nc(CNc2nc(N)nc3c2CCN(C2CCNCC2)CC3)no1 72424563 GCSZCPNZERKEHI-UHFFFAOYSA-N 358.450 0.515 0 50 FCAA CN1CCN(c2cc(N3CCC4(CC3)CC(=O)N(C)C4)nc(N)n2)CC1 77540876 YPFMCYQMJWOOGH-UHFFFAOYSA-N 359.478 0.259 0 50 FCAA COc1nc2c(cc1C(=O)N1C[C@@H](F)C[C@H]1CNS(C)(=O)=O)CCC2 82120951 BCGFCZKXNWIHMT-RYUDHWBXSA-N 371.434 0.681 0 50 FCAA Cc1ccc2nc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cn2c1 91636844 ZCNAHQQZGSQVQI-UHFFFAOYSA-N 350.444 0.445 0 50 FCAA CCN(C(=O)c1coc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 91664942 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0.813 0 50 FCAA O=C(CN1CCN(c2ncccn2)CC1)NCc1n[nH]c2c1CCCCC2 670458275 NHGCZOLPSLFJAD-UHFFFAOYSA-N 369.473 0.907 0 50 FCAA COCC1CCN(S(=O)(=O)NCCCN2CCC[C@H](CO)C2)CC1 824372227 NOVKPDIHHRQUOJ-INIZCTEOSA-N 363.524 0.274 0 50 FCAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(CC(=O)N(C)C3CC3)C4)C[C@H]2C1 952891183 XLDVRSDCGVMCHG-IYBDPMFKSA-N 370.501 0.453 0 50 FCAA O=C(NCc1nnc2n1CCCC2)[C@@H]1CNC[C@@H](C(=O)N2CCCC2)C1 1565510827 BWSGICFMARWJOM-KBPBESRZSA-N 360.462 0.079 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccccc1Cl 1704340859 VPCBCPYSYXFYBV-JSGCOSHPSA-N 360.863 0.905 0 50 FCAA CCN1C[C@H](C(=O)N2CCCN(C(=O)Cc3ccncc3)CC2)CC1=O 1704344032 MRJBGBBGHNSYDI-MRXNPFEDSA-N 358.442 0.553 0 50 FCAA Cc1cnc(C(=O)N2C[C@H]3CN(CCc4nccn4C)C[C@]3(CO)C2)cn1 1772700826 FENCSTRWGXLQBI-DNVCBOLYSA-N 370.457 0.128 0 50 FCAA O=C(CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1)NCCc1ccc(F)cc1 1857669290 PDOKWCCWEYZZSY-KBXCAEBGSA-N 350.390 0.908 0 50 FCAA COC(=O)c1cnc(N2CC[C@H](C)[C@@H](NC(=O)c3ncn(C)n3)C2)nc1 1875341781 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351.476 0.288 0 50 FCAA COC[C@H](CO)NC(=O)CN1C(=O)COc2cc(Br)ccc21 225433827 PUHIIWAJDSCLFM-JTQLQIEISA-N 373.203 0.298 0 50 FCAA CS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CCCCC2)cc1 267162875 RLWJTHSRDRPYHS-UHFFFAOYSA-N 360.457 0.557 0 50 FCAA O=C1CN(c2ccnc(C(=O)N3CCOc4cc(O)ccc4C3)c2)CCN1 286529015 OSZHFJHONQYRFE-UHFFFAOYSA-N 368.393 0.758 0 50 FCAA CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1C[C@H](O)CN1 299750947 OVPZMTHLYWFHJM-SGMGOOAPSA-N 362.348 0.626 0 50 FCAA CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2ccc3[nH]ccc3c2)C1 299772176 ZQFINSVCCLBQBB-CYBMUJFWSA-N 352.416 0.950 0 50 FCAA Cc1[nH]nc(CCC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)c1C 299783307 YTZAQNPGWAOXEW-UHFFFAOYSA-N 354.418 0.974 0 50 FCAA Cc1nccn1CCCN1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 328629070 HWRGDZMJWCZIBX-MRXNPFEDSA-N 360.462 0.513 0 50 FCAA CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@](F)(CO)C2)ncn1 332734401 ZOIDIMQKCRXBHQ-BLLLJJGKSA-N 352.414 0.603 0 50 FCAA O=C1C[C@]2(CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)CN1 408248213 TXNORDYTWBBCOR-MRXNPFEDSA-N 357.476 0.321 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0 50 FCAA CN1CCC(O)(CCNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)CC1 65370128 AHEQMANVIKZQJB-OXQOHEQNSA-N 364.534 0.413 0 50 FCAA COC(=O)C[C@@]1(C(=O)OC)N[C@H](CC(C)(C)C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65394580 IFUSAPPWYOQOHH-CMHZANLRSA-N 354.403 0.100 0 50 FCAA Cc1cn(CC(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]c1=O 71760262 QJGRVVRSLRXKMB-INIZCTEOSA-N 362.474 0.814 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)[C@@H](C)N3CCCC3=O)cc2C1=O 71774648 UMMFHCNNNBIFPW-LLVKDONJSA-N 360.414 0.693 0 50 FCAA CCCN1CCN(C(=O)c2cnc(NCC)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72408374 XONZTOPCOHCVEV-KGLIPLIRSA-N 367.475 0.242 0 50 FCAA Nc1nc2c(c(NCCc3nc(-c4ccncc4)n[nH]3)n1)CCNCC2 72409285 QQYRDQMZLZUJGG-UHFFFAOYSA-N 351.418 0.582 0 50 FCAA COCCC(=O)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72424699 UQCDKJAVKCLGHH-AWEZNQCLSA-N 351.451 0.390 0 50 FCAA CCNC(=O)[C@@H]1CN(Cc2ccc(Sc3nncn3C)o2)CCO1 72439077 WYSGPULVAZMKJA-LBPRGKRZSA-N 351.432 0.896 0 50 FCAA COCCCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O 77440283 NRAWMYRLHNTYMT-SFHVURJKSA-N 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VNRPWDOWXPLKDP-KRWDZBQOSA-N 359.478 0.740 0 50 FCAA Cc1nc(CNC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)no1 244626669 FQGWFWFSTQSXHD-UHFFFAOYSA-N 364.427 0.538 0 50 FCAA COCc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)o1 247946098 JYSJSJYGCVMVKZ-OLZOCXBDSA-N 371.459 0.769 0 50 FCAA COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cccc(C(=O)O)n2)C1 263429886 SJOKYJIIMRUWTB-GFCCVEGCSA-N 357.432 0.657 0 50 FCAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 332012787 QYWCQGUNDQJFSI-JTQLQIEISA-N 355.391 0.467 0 50 FCAA O=C(NCC1(NC(=O)[C@H]2CCCCO2)CCOCC1)[C@@H]1CCCCO1 333259957 LZUPHSLZCCOWQD-LSDHHAIUSA-N 354.447 0.906 0 50 FCAA Cc1ccccc1-n1cc(CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)nn1 333812514 HAMIEVFAHVEOFT-SJORKVTESA-N 362.455 0.964 0 50 FCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccccc2-n2cccn2)[C@H](O)C1 426397310 AEYCCUGTBMOXJV-NVXWUHKLSA-N 371.441 0.126 0 50 FCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)CN2CCCS2(=O)=O)C1 886094038 OUEBNKYGTLZGLA-KFWWJZLASA-N 359.492 0.122 0 50 FCAA 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KZTCMBBHLKXYTA-UHFFFAOYSA-N 370.475 0.798 0 50 FCAA O=C1C[C@@H](C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3)CC2)CN1 65461986 FZDDGDNPUDTFRE-CQSZACIVSA-N 369.425 0.478 0 50 FCAA CCn1c(CC2CCN(C(=O)c3cccc4nnnn34)CC2)nn(C)c1=O 67740109 GMYXSFQGWZZZJG-UHFFFAOYSA-N 370.417 0.134 0 50 FCAA Cc1cccc(CN2CCC[C@@](O)(CNCCc3n[nH]c(=O)[nH]3)C2=O)c1 67920494 IDXPNUAZJRKLEY-GOSISDBHSA-N 359.430 0.092 0 50 FCAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2CCO[C@@H](CN)C2)C1 72120695 IRYDCGUSMXVYHO-AWEZNQCLSA-N 368.441 0.607 0 50 FCAA CCNC(=O)CN1CCN(c2ncccc2C(=O)N2C[C@H]3CC[C@@H]2C3)CC1 77385408 NXPHMKKURMIKDB-JKSUJKDBSA-N 371.485 0.964 0 50 FCAA CN1CCCN(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)CC1 91380821 XFLZEPADOUXDHW-HXUWFJFHSA-N 362.518 0.875 0 50 FCAA Cc1nc(CCNC(=O)CCc2nc3ccccc3[nH]c2=O)cc(=O)[nH]1 91475322 QKNMXIPZJDOKGR-UHFFFAOYSA-N 353.382 0.606 0 50 FCAA O=C(Cn1ccccc1=O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91494021 DLFYWXSHNSLEMK-HXUWFJFHSA-N 373.453 0.868 0 50 FCAA Cc1nn(C)cc1C(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 91563180 NLIMOQGJSCRCHF-LJQANCHMSA-N 367.409 0.344 0 50 FCAA Cn1ccc(NC(=O)CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1 91877267 RGNRUJIVRYBTHP-CVEARBPZSA-N 365.478 0.154 0 50 FCAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1 92061982 KYHXXFAMGFKPKO-MRXNPFEDSA-N 358.442 0.691 0 50 FCAA O=C1C[C@H](C(=O)O)C2(CCN(c3ncc(C(=O)O)cc3Cl)CC2)N1 95368588 QNUYCNNEZHLDBD-SECBINFHSA-N 353.762 0.993 0 50 FCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc(OCCO)cc1)CC2 95382284 YVLHFJIZWKFNRS-MRXNPFEDSA-N 362.426 0.955 0 50 FCAA CN1CCN(CC2(CNC(=O)c3ccccc3-c3nnn[nH]3)CC2)CC1 97468383 RMWORNCPXMAXKM-UHFFFAOYSA-N 355.446 0.624 0 50 FCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(F)cc1)C2 212812781 RJKPATMIGGVQNU-ZBFHGGJFSA-N 361.417 0.906 0 50 FCAA Cc1nn(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)cc1Cl 216947416 OQMRYBBCRWEFQI-OCCSQVGLSA-N 353.854 0.643 0 50 FCAA CCc1nc(C)sc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O 219359691 SKOCPDKCJODTSR-SASUGWTJSA-N 359.473 0.449 0 50 FCAA 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O=C(NC[C@H](O)c1c(F)cccc1F)c1cn(C2CCNCC2)nn1 238012216 APXIVIKUEUIZSR-AWEZNQCLSA-N 351.357 0.944 0 50 FCAA O=C(CN1CCN(c2ccnc3nncn23)CC1)Nc1ccc(Cl)cn1 243893196 APDMFNJBWFYOCF-UHFFFAOYSA-N 372.820 0.933 0 50 FCAA CN(C)C1=NC2(CCN(CC(=O)N3CCOc4ccccc43)CC2)C(=O)N1 244723706 MFTRNOOHTOTUMX-UHFFFAOYSA-N 371.441 0.294 0 50 FCAA Cc1cc(C)nc(N2CC[C@]3(O)CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)n1 247919505 CBVHRSPBDCGBGY-HOCLYGCPSA-N 369.491 0.163 0 50 FCAA CNC(=O)Cn1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cn1 264804645 VYSCDJRBVURIJC-CABCVRRESA-N 361.446 0.996 0 50 FCAA CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CCO1 265526906 DTZVVYMHZITSPC-LSDHHAIUSA-N 363.414 0.638 0 50 FCAA Cc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3C(=O)O)CC2=O)c(F)c1 299748269 GQPQIIVGLVYTMD-FZMZJTMJSA-N 350.346 0.799 0 50 FCAA Cc1nc2sccn2c1C(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O 299801832 XYQUIXKMMVOARB-UHFFFAOYSA-N 360.443 0.726 0 50 FCAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CCN(CC(F)(F)F)CC1 330744870 DKXAIJHXGJIABN-LBPRGKRZSA-N 371.425 0.801 0 50 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QPHYUENIYPMDRK-XHDPSFHLSA-N 366.443 0.128 0 50 FCAA C[C@@H](CNc1cc(O)nc(O)n1)NC(=O)c1scc2c1OCCO2 1875331804 WAGVRMFYSGSSKE-ZETCQYMHSA-N 352.372 0.951 0 50 FCAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCOc1ccccc1 2411286 JWRJLEVTIFNKNR-UHFFFAOYSA-N 359.386 0.297 0 50 FCAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1=O 12002708 LCSVXZDJTDCIFC-RISCZKNCSA-N 352.412 0.908 0 50 FCAA CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1 20235607 VFWLTERDEYTHEO-UHFFFAOYSA-N 355.441 0.971 0 50 FCAA CCn1c([C@H]2CCCN(C(=O)c3c(C)nc4ncccn34)C2)n[nH]c1=O 67649173 GZQKYTSHOMOEKI-LBPRGKRZSA-N 355.402 0.962 0 50 FCAA Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](C(=O)NCc2ccccn2)N(C)C1 67723880 ITSXTPLJSUAPDO-GJZGRUSLSA-N 357.414 0.805 0 50 FCAA CC(C)C[C@H](N)C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 67724109 GVQDZIVMAXOSDF-INIZCTEOSA-N 370.457 0.924 0 50 FCAA CC(C)C(=O)N1CCN(C(=O)Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72422058 KOSILYZISSXJAV-JKSUJKDBSA-N 364.467 0.722 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](Cc1ccccc1)N(C)C)C2 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COc1cccc([C@H]2CN(C(=O)CCCn3cnnn3)C[C@@H]2C(=O)O)c1 213463550 PQRSARZWSKFXNO-CABCVRRESA-N 359.386 0.789 0 50 FCAA COc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1CN1CCCC1 215019554 BACMJDXSTQHEIY-UHFFFAOYSA-N 368.503 0.612 0 50 FCAA Cc1cc2nc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc(C)n2n1 215190283 RRDBETKHYDOQLA-UHFFFAOYSA-N 351.432 0.454 0 50 FCAA O=C(CN1CCC(NC(=O)c2ccc(-n3cnnc3)cc2)CC1)NC1CC1 215693150 NJKPFRIUUKQYPL-UHFFFAOYSA-N 368.441 0.740 0 50 FCAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2cnc(C)[nH]c2=O)cn1 218997515 NGPLCCFFJDZEIX-CVEARBPZSA-N 358.398 0.677 0 50 FCAA C[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CCN(C)CC1 220218252 HFZGBAZUTODWHK-CQSZACIVSA-N 353.488 0.704 0 50 FCAA O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)N2CCCC2)CC1 223501420 OSGVOMCMBWWXDQ-MRXNPFEDSA-N 365.455 0.475 0 50 FCAA C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 237431894 AOCDYZIKEIVLPI-KURKYZTESA-N 352.523 0.772 0 50 FCAA NS(=O)(=O)N1CCN(Cc2ccc3c4c(cccc24)C(=O)OC3)CC1 244724567 MWMDSRSCQAVQMF-UHFFFAOYSA-N 361.423 0.831 0 50 FCAA 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CC(=O)N1C[C@H]2CN(Cc3cccn3-c3ncccn3)C[C@@]2(C(=O)O)C1 65398123 DSSHZGGJQUCOOP-RDTXWAMCSA-N 355.398 0.632 0 50 FCAA N[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)O 71756256 BAQMYDQNMFBZNA-NRWUCQMLSA-N 372.491 0.411 0 50 FCAA biogenic Cc1ocnc1C(=O)N1CCc2nc(N)nc(N3CC[C@H](O)C3)c2CC1 72411774 OMXYJLPTYWYCTG-NSHDSACASA-N 358.402 0.167 0 50 FCAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)nc(N)n1 91416767 CCRYTLZQISBWMJ-QWHCGFSZSA-N 367.413 0.534 0 50 FCAA NC(=O)c1cccnc1N1C[C@H](C2CC2)[C@@H](NC(=O)C2CCOCC2)C1 91713535 ZMIRFMDZLPDKDH-CVEARBPZSA-N 358.442 0.938 0 50 FCAA COCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 91769171 FPULGPOMMHOXAV-KRWDZBQOSA-N 350.419 0.948 0 50 FCAA Cc1nn(CCO)cc1CN1CCC2(CC1)[C@H](C(=O)O)CC(=O)N2C 91876490 NLNRIMHSWKZJGK-AWEZNQCLSA-N 350.419 0.081 0 50 FCAA Cn1c(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cc(=O)n(C)c1=O 95352807 PIMDLUFPFSPBRD-AWEZNQCLSA-N 371.393 0.802 0 50 FCAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 95377866 GMIADALDJJAOAL-DZGCQCFKSA-N 370.409 0.301 0 50 FCAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccnc(OC)c2)CN1Cc1ncc[nH]1 95383225 DALANHBKCIWGTD-KGLIPLIRSA-N 372.429 0.322 0 50 FCAA Cc1nc(N)nc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1Cl 95502509 HQWVSBBJHOUJOC-LLVKDONJSA-N 359.883 0.766 0 50 FCAA N[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCCc3cccnc3)c2)C1 97436936 ZVTNLUXPXKKEJF-MRXNPFEDSA-N 374.466 0.776 0 50 FCAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cn1nnnc1C 220510068 WWSUPRSHKHCYFY-KGLIPLIRSA-N 350.379 0.077 0 50 FCAA CCOC(=O)[C@@H](Cc1ccc(C)cc1)NC(=O)[C@@H](C)NS(C)(=O)=O 225485563 YARIXBNBFFQKMF-TZMCWYRMSA-N 356.444 0.523 0 50 FCAA CN(C)S(=O)(=O)CCCN1CCN(c2ccc3nccn3n2)CC1 244748481 OIIRYWDUDHWARM-UHFFFAOYSA-N 352.464 0.133 0 50 FCAA O=C(NC[C@]1(O)CCNC1)c1cccc(OCC(=O)N2CCCCC2)c1 252483344 DZHUNTAKCJEHNS-IBGZPJMESA-N 361.442 0.532 0 50 FCAA Cc1cccc(-n2nnc(C(=O)NCc3cn(CC(=O)O)nn3)c2C)c1 262825590 QHQCZZIGSYKGDH-UHFFFAOYSA-N 355.358 0.490 0 50 FCAA CS(=O)(=O)N1CCn2nc(CNC(=O)[C@H](O)C3CCCCC3)cc2C1 299773120 CYQAQGUDSHCISW-OAHLLOKOSA-N 370.475 0.216 0 50 FCAA COCC(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)[C@H](O)C1 299783489 VXTXIGRHIUGHEQ-CHWSQXEVSA-N 362.760 0.956 0 50 FCAA CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3nn(C)cc32)CC1 367323239 AKSXAWFYJQZBOY-AWEZNQCLSA-N 354.476 0.975 0 50 FCAA O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@](O)(C(F)(F)F)CC1 367349399 RRWDTXMNRIEVOL-CYBMUJFWSA-N 351.325 0.263 0 50 FCAA CC(C)NS(=O)(=O)c1cccnc1N1CCCN([C@H](C)CO)CC1 372986579 XYRUSRMBMSRGGO-CQSZACIVSA-N 356.492 0.661 0 50 FCAA Cc1nc(C)n(CCCNC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)n1 584886558 MUZIHYMLMMYVNE-INIZCTEOSA-N 350.423 0.911 0 50 FCAA CCS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccn3C)[nH]n2)CC1 823413032 OILGUWCTDGUQPN-UHFFFAOYSA-N 351.432 0.523 0 50 FCAA Nc1cccc(C(=O)N2CCOC3(CCN(C(=O)[C@@H]4CCOC4)CC3)C2)n1 827921446 ZGBLFNNLPKFGES-CQSZACIVSA-N 374.441 0.534 0 50 FCAA O=C(c1ccc(CN2CCCC2)o1)N1CCN(CCn2cncn2)CC1 828166537 YYZLOOJGHFRFKG-UHFFFAOYSA-N 358.446 0.925 0 50 FCAA O=S1(=O)CC[C@H](S(=O)(=O)NCc2nncn2C2CCCCC2)C1 828395636 SCBBCGIAZMFMFN-LBPRGKRZSA-N 362.477 0.390 0 50 FCAA CN(C)[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 888094186 DMUBMWMCBDLPTA-CABCVRRESA-N 353.423 0.734 0 50 FCAA COC(=O)C1(C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 952892662 INDJNSZEQXUALH-UHFFFAOYSA-N 374.441 0.972 0 50 FCAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cn2cccn2)cc1OC 1529186141 ALQCDQYDUIPSER-SJLPKXTDSA-N 361.398 0.861 0 50 FCAA CC(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)CC1 1565509886 YDTNCOJKHDFGTJ-HOTGVXAUSA-N 366.487 0.453 0 50 FCAA CCOc1ccc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1CO 1616083931 RRODRBDUVRBWPW-CVEARBPZSA-N 372.487 0.262 0 50 FCAA Cn1nccc1[C@@H](NC[C@H](O)COc1cnsn1)C(=O)OC(C)(C)C 1875266496 XJOXBEKAUARVPO-GXFFZTMASA-N 369.447 0.684 0 50 FCAA C[C@@H](CO)NC(=O)N=c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]n1C 1875339665 STDDLJZLRSQJLW-QWRGUYRKSA-N 368.438 0.811 0 50 FCAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CNC(=O)O2)(c2ccccc2)CC1 1875365912 LPMXTYTVPFSQTD-OAHLLOKOSA-N 357.410 0.957 0 50 FCAA C[C@@H](NC(=O)[C@@H](N)CN1CCCC1=O)c1cccc(N2CCCC2=O)c1 2325814086 RPUUMZODAUPEOK-CJNGLKHVSA-N 358.442 0.940 0 50 FCAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 3830393 BOEGTKLJZSQCCD-JRPNMDOOSA-N 363.395 0.151 0 50 FCAA biogenic,world C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NC3=NCCS3)c2)C1=O 12003146 KQOQLDATYLMTJU-SECBINFHSA-N 353.425 0.832 0 50 FCAA CN1CCN([C@@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)CC1 19367186 ZPHLPHBATUTHSA-QGZVFWFLSA-N 358.442 0.403 0 50 FCAA Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCOCC2)n1 54274705 LWAVDHRQHUIAAW-UHFFFAOYSA-N 373.436 0.752 0 50 FCAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2C(=O)OC)n1CCOC 55269887 XZSIXTSZHYGEQH-ZDUSSCGKSA-N 359.448 0.461 0 50 FCAA O=C(C1CC1)N1C[C@H]2CNC[C@@]2(C(=O)NCc2cn3c(n2)SCC3)C1 65424372 OPNOCYFYUCPKTM-SJKOYZFVSA-N 361.471 0.063 0 50 FCAA CC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)CCCn1cnnn1)C2 67540803 XDFJLQIWSKMLNJ-UHFFFAOYSA-N 361.406 0.589 0 50 FCAA O=C(O)c1nn(CCO)c2c1CN(C(=O)c1ccncc1Cl)CC2 67843066 GLAYAFVWEMEYIY-UHFFFAOYSA-N 350.762 0.821 0 50 FCAA O=C(O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71750780 HELYFRMOXNPYEO-HNNXBMFYSA-N 360.458 0.959 0 50 FCAA Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)n1 71757054 VMGOEKLPHOBZPY-OAHLLOKOSA-N 361.490 0.543 0 50 FCAA COc1coc(C(=O)N2CCOC[C@H]2CC(=O)NC2CCCC2)cc1=O 72431280 WZXOYXOQACHWNU-CYBMUJFWSA-N 364.398 0.938 0 50 FCAA Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)CCN(S(C)(=O)=O)CC2 72438077 QOKVEHOMLDCYLV-ZDUSSCGKSA-N 354.476 0.354 0 50 FCAA Cn1ccnc1CC[C@@H]1CCCCN1C(=O)CCn1ccc(=O)[nH]c1=O 77300153 XZRJBCCLLJNZOO-AWEZNQCLSA-N 359.430 0.674 0 50 FCAA COc1ccc(C(=O)N2CCN(C(=O)CN3CC[C@H](N(C)C)C3)CC2)cc1 77406792 MBBYEIQXGAUYJZ-KRWDZBQOSA-N 374.485 0.616 0 50 FCAA COC[C@@H]1CCCN1C(=O)Cn1nc(C)n(-c2ccc3c(c2)OCO3)c1=O 77487165 UICUSTBIDZPYPZ-AWEZNQCLSA-N 374.397 0.709 0 50 FCAA COc1ccccc1N1CCN(C(=O)CCN(C)[C@@H]2CCN(C)C2)CC1=O 82166608 FPPGZGRVCCGUGZ-MRXNPFEDSA-N 374.485 0.896 0 50 FCAA Cc1nc([C@@H]2CCCN(C(=O)CCN(C)S(C)(=O)=O)C2)cc(=O)[nH]1 92062433 SEWWMCNDVBQNGU-GFCCVEGCSA-N 356.448 0.066 0 50 FCAA CC(C)(C(=O)O)c1cnc(N2CCC[C@H](O)C2)nc1N1CCOCC1 96151806 XWQQFCJSHZDNHV-LBPRGKRZSA-N 350.419 0.637 0 50 FCAA Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)c2)n1 96153433 YBGZJDSSMMWDLG-HZPDHXFCSA-N 363.439 0.719 0 50 FCAA NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)COC2CCCCC2)c1 97674098 WRWHMBOLYYAZQA-NSHDSACASA-N 374.434 0.913 0 50 FCAA NC(=O)Cc1nc([C@H]2CCS(=O)(=O)C2)n(-c2ccc3c(c2)CCC3)n1 97713514 OIGJMQFSSODEMD-ZDUSSCGKSA-N 360.439 0.686 0 50 FCAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2nc3ccccc3o2)CC1 172411543 VZYSUGSQEFLBHK-LLVKDONJSA-N 352.416 0.414 0 50 FCAA CCc1nsc(N2CCCN(C(=O)Cc3nc4ncccn4n3)CC2)n1 175685046 RKEWNQQLMGZUEQ-UHFFFAOYSA-N 372.458 0.820 0 50 FCAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1nnc3nc(C)cc(C)n13)C2 212506656 BYMJKBUQANNVPR-GJZGRUSLSA-N 358.446 0.924 0 50 FCAA CC(C)c1csc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)n1 220024857 VDCFXBABDKWYIO-SASUGWTJSA-N 359.473 0.701 0 50 FCAA Cn1ncc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1=O 223774631 IVEZZCDQFURRNQ-UHFFFAOYSA-N 366.377 0.849 0 50 FCAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@@H]2COc3ccccc3O2)C1 276532983 RBQGYPMDLIYXSC-BBRMVZONSA-N 369.425 0.932 0 50 FCAA Cn1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 285048971 NPJBTSPLQBVQIR-NHYWBVRUSA-N 351.384 0.957 0 50 FCAA CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@H](O)CN1 299750918 OTVBHUYONGOYDD-GVXVVHGQSA-N 362.348 0.626 0 50 FCAA NC(=O)CN1CCC(Nc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 301337823 HBAJJWCFPJNUOV-UHFFFAOYSA-N 367.413 0.883 0 50 FCAA CC(C)Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C 328775796 FIZBPJVXXQFBJT-CQSZACIVSA-N 371.507 0.644 0 50 FCAA O=C(NCCSc1nc[nH]n1)N1CCCO[C@H](CN2CCOCC2)C1 426740666 YGAJBLIJNSBENW-CYBMUJFWSA-N 370.479 0.030 0 50 FCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)Cc1cccc(COC)c1 818371492 SAQCVXLHHRIXBJ-OAHLLOKOSA-N 357.414 0.432 0 50 FCAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(O)c(Cl)c1 1565527405 RWPOGMUJTVFOMD-ZFWWWQNUSA-N 370.833 0.967 0 50 FCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(O)cc1 1704325709 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352.442 0.640 0 50 FCAA O=C1NC[C@@]2(CCCN(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)C2)O1 72125487 ZJPXVSKHPPSWQA-MRXNPFEDSA-N 360.349 0.580 0 50 FCAA CCOCc1nc2c(c(NC[C@@H]3CCS(=O)(=O)C3)n1)CCNCC2 72410235 MHLAYANOTUZSEA-LBPRGKRZSA-N 354.476 0.548 0 50 FCAA O=C(CCc1cc2n(n1)CCNC2)NC1CCN(C[C@@H]2CCCO2)CC1 72468318 OCNKPHIFFOICTO-SFHVURJKSA-N 361.490 0.679 0 50 FCAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@@H]4C2=O)cc1C 77354439 IALWCVJZQHWSOH-UGNRZPKXSA-N 368.433 0.789 0 50 FCAA COCc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)o1 92028895 VDVIMLHOWMMZAC-GFCCVEGCSA-N 350.371 0.964 0 50 FCAA COc1ccc(-n2ncc([C@H](C)NC(=O)CN3C(=O)CNC3=O)c2C)cc1 92077228 FUZIGGMFKQWORB-NSHDSACASA-N 371.397 0.918 0 50 FCAA N[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccncc3)c2)C1 95389489 QEHWCEOKMMPYJT-MRXNPFEDSA-N 374.466 0.776 0 50 FCAA CC(C)(C)c1oc(C(N)=O)cc1Cn1ncc(N2CCNCC2)cc1=O 95511135 ZMZLMTRETJYMCE-UHFFFAOYSA-N 359.430 0.691 0 50 FCAA c1nc(N2CCOCC2)cc(N2CCC[C@@H](NCc3csnn3)C2)n1 182189537 FUOOXYZPFPMHOM-CYBMUJFWSA-N 361.475 0.923 0 50 FCAA CCC[C@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1NS(C)(=O)=O 212473752 GUFSGUIUYIBCJH-JSGCOSHPSA-N 350.448 0.816 0 50 FCAA CC[C@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ncnn1CC 240163536 JBSMTVABDKBOFY-AWEZNQCLSA-N 356.390 0.920 0 50 FCAA Cn1cnnc1C1CCN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CC1 244719221 LYWHIPNBELHPCV-OKILXGFUSA-N 358.450 0.869 0 50 FCAA CSCC[C@@H](CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O 252496692 POSZAHWYPKSJOH-NSHDSACASA-N 361.427 0.274 0 50 FCAA C[C@@H]1CN(CC(=O)NCC(=O)O)CCN1C(=O)Cc1cccc(Cl)c1 262277342 WAHJVISBSFZGMR-GFCCVEGCSA-N 367.833 0.616 0 50 FCAA O=C(Cn1cnnn1)N1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 270596770 VGYJEHQVUJYVKY-INIZCTEOSA-N 370.413 0.162 0 50 FCAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)n1 275332541 QRECPLFYONTEQR-QLJPJBMISA-N 365.411 0.984 0 50 FCAA Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2CC(=O)O)nn1 299762424 WDHFHHBCGTXUKW-WCQYABFASA-N 350.400 0.694 0 50 FCAA C[C@H](CO)N1CC(=O)N(CCCN2CCCC2=O)C[C@H](OCC2CC2)C1 299798250 WZVHCKKAQCHRDW-WBVHZDCISA-N 367.490 0.319 0 50 FCAA CCNC(=O)N1CC[C@@H](NC(=O)c2ccccc2NS(C)(=O)=O)C1 334060800 ZXLCOLLUTNPQMA-LLVKDONJSA-N 354.432 0.592 0 50 FCAA CS(=O)(=O)NCCC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 426404223 JIFVMAWHORHNRD-NSHDSACASA-N 359.835 0.501 0 50 FCAA Cn1nc(C(=O)N2CCN(c3cc(O)nc(N)n3)CC2)c2c1CCCC2 426707311 ZFMINEXXXRXEOU-UHFFFAOYSA-N 357.418 0.339 0 50 FCAA Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 888094917 HAFUDJLUYKDNGA-XEZPLFJOSA-N 350.419 0.358 0 50 FCAA O=C(c1cnc2ccccn2c1=O)N1CCN(CC2CC2)[C@H](CCO)C1 952860270 KKRGMLNCHGMVMS-OAHLLOKOSA-N 356.426 0.613 0 50 FCAA Cc1ccc(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1Cl 1616157730 JEFOBXMSVOKPSV-RYUDHWBXSA-N 353.849 0.427 0 50 FCAA CN(C)c1nccnc1N1CCCN(S(=O)(=O)N2CCCC2)CC1 1704336463 JNGQRICLTLLWSO-UHFFFAOYSA-N 354.480 0.395 0 50 FCAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@H]2CCc3ncnn3C2)CC1 1857738267 ZJIGUMKLHUKZDV-HNNXBMFYSA-N 368.441 0.791 0 50 FCAA C[C@@H]1CCN(c2cc(C(=O)NC[C@H](Cc3cnn(C)c3)C(N)=O)ccn2)C1 1875254838 YKUYYAWNIXDVGW-CJNGLKHVSA-N 370.457 0.735 0 50 FCAA Cc1nnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC(=O)N([C@H](C)C3CC3)C2)o1 1875405628 KRLJRDICWHWAGV-KJEVXHAQSA-N 359.430 0.815 0 50 FCAA Cc1[nH][nH]c2ncnc(=N[C@H]3C[C@@H](NC(=O)[C@@H]4[C@H]5COC[C@H]54)C3(C)C)c1-2 1875405652 LFNPRECPYBDUDT-SVPLCASGSA-N 356.430 0.622 0 50 FCAA C[C@@H](C(=O)N1CC[C@H](NC(=O)Cc2nccn2C)C[C@H]1C)n1ccnc1 1875407338 XNAVQNYPMZGHOP-ILXRZTDVSA-N 358.446 0.916 0 50 FCAA COc1ccc([C@@H](C)NC2=CC(=O)N([C@H]3CCC(=O)NC3=O)C2=O)cc1 2325854088 NUBAOCOCGHSYLZ-YGRLFVJLSA-N 357.366 0.404 0 50 FCAA Cc1nc2c(c(=O)n1C)CN(C(=O)CCC[C@@H]1NC[C@@H]3CNC[C@H]1C3)C2 2356134083 XBUQDIGHTNUSPP-LZWOXQAQSA-N 359.474 0.299 0 50 FCAA COc1ccc(NC(=O)CC(=O)N2CCOC[C@@H]2CC(=O)O)c(OC)c1 55284730 BLFDKXPXTDTYQL-NSHDSACASA-N 366.370 0.735 0 50 FCAA Cc1cc(C(=O)NCCN2CCOCC2)ccc1N(C)S(C)(=O)=O 65363796 GCJPCBBTXRNIBI-UHFFFAOYSA-N 355.460 0.453 0 50 FCAA CCn1c(C2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)nn(C)c1=O 67489911 YMLRKYXSAVUNGC-LBPRGKRZSA-N 368.459 0.256 0 50 FCAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)Cn3cncn3)cnn2c1 67947675 PKKOZBUYWFOSKK-ZDUSSCGKSA-N 356.434 0.981 0 50 FCAA Cc1cnc(N2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)nc1N 71745562 FNESXYZLFMSMJL-HZPDHXFCSA-N 369.473 0.524 0 50 FCAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CCNC(N)=O)C2 71754428 IYRUOTMROHHYLI-UHFFFAOYSA-N 369.429 0.548 0 50 FCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1cc(Cl)no1)C2 72163554 LFTSTIHEIVITJB-UHFFFAOYSA-N 351.794 0.995 0 50 FCAA O=C1N(CCn2cnnc2)C(=O)C2(CCNCC2)N1CCc1ccccc1 95356783 STKYQTPLSNUHKK-UHFFFAOYSA-N 368.441 0.907 0 50 FCAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCC(N2CCOC2=O)CC1 95510616 HMOUBGSHUNAOQI-KRWDZBQOSA-N 374.441 0.898 0 50 FCAA CN1CCc2[nH]nc(C(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)c2C1 220085934 JKTNKJQJQOZWDN-HUUCEWRRSA-N 357.414 0.759 0 50 FCAA NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)C1 252517322 FTORHZGCIZPECW-ZBFHGGJFSA-N 358.442 0.787 0 50 FCAA O=C1NC(=O)[C@]2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)N1 252537610 LSYHYVVMXVRXTL-WTOJCKNJSA-N 371.393 0.762 0 50 FCAA COc1ccc([C@@H](NC(=O)Cc2cnc(O)n(C)c2=O)[C@H]2C[C@@H](O)C2)cn1 253534942 YKIZQHVXPGKLGX-PVXIVEMSSA-N 374.397 0.060 0 50 FCAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)N[C@H](COC)C2CC2)cn1 275562450 IIKDTPNQVNDBFK-CABCVRRESA-N 370.475 0.809 0 50 FCAA COCCN(CC(=O)O)C(=O)c1nccnc1C(=O)N1CCCCC1 299771592 URZMZLDIETXODR-UHFFFAOYSA-N 350.375 0.276 0 50 FCAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@@H]2CCOC2)CC1 329834947 LGWJDHVWMQXWOJ-AWEZNQCLSA-N 367.471 0.670 0 50 FCAA CC(C)N(CC(F)(F)F)C(=O)CN1CCN(c2cnn(C)c2)C(=O)C1 331147930 MTXMSPJZKSJIBI-UHFFFAOYSA-N 361.368 0.868 0 50 FCAA CNC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1c1cnn(C)c1 375732990 LGTVRJKDURRFIJ-KGLIPLIRSA-N 356.430 0.624 0 50 FCAA COc1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1OCCN 426472580 BETZUTJJSKSQOV-UHFFFAOYSA-N 360.418 0.109 0 50 FCAA O=C1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CCN1CCc1ccccc1 426489346 JXMLKUDZMAGZDH-HNNXBMFYSA-N 365.455 0.270 0 50 FCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1cc2c(F)cccc2[nH]1 818365647 AMUMJFOBVATEAH-CQSZACIVSA-N 356.361 0.978 0 50 FCAA Cc1c[nH]ccc1=NCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 825253650 QQIAYDPEPWHYIW-UHFFFAOYSA-N 362.411 0.647 0 50 FCAA C=CC(=O)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 859708658 VUPFKYRZNANWHC-UHFFFAOYSA-N 353.444 0.376 0 50 FCAA COc1ncc(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2C)cc1Cl 886078487 WGXRBGYNVMNLGM-LBPRGKRZSA-N 350.810 0.774 0 50 FCAA CCN1CCO[C@@H](CN[C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cncn1C 952853080 ZYKAZIFDFMFNRF-BPUTZDHNSA-N 356.492 0.349 0 50 FCAA C[C@H](Cn1cccn1)N[C@@H]1CCN(Cc2cn(C)nc2C(=O)N(C)C)C1 952890311 XJPAVODIBPGJLS-GDBMZVCRSA-N 359.478 0.571 0 50 FCAA COCCN1CC[C@H](CN(C)c2cc(N)nc(N3CCOCC3)n2)C1 1529100345 QNMNPAUALIENFM-CQSZACIVSA-N 350.467 0.300 0 50 FCAA Cc1cccc(OCCN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1C 1529152829 YRYSFFFDCYIGEZ-HOTGVXAUSA-N 356.488 0.866 0 50 FCAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1ccccc1N1CCS(=O)(=O)CC1 1565528222 COYVTBZAKGZZLI-DUVNUKRYSA-N 350.440 0.829 0 50 FCAA CC(C)Oc1cc(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)nc(N)n1 1704327826 KMJCXFXWIPEKOL-GOEBONIOSA-N 352.435 0.717 0 50 FCAA COc1ccc(C(=O)N2C[C@H]3[C@@H](NC(=O)c4cnn[nH]4)CCC[C@H]3C2)cn1 1857680110 BNECJYWWKBNGJJ-MJBXVCDLSA-N 370.413 0.879 0 50 FCAA COc1cccc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c1OC 1857721401 NAZCZIBAURPEJP-GUTXKFCHSA-N 368.455 0.503 0 50 FCAA O=C1CN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)Cc3ccccc3)C2)CCCN1 1875247518 NNQXORKIESSIES-GVDBMIGSSA-N 373.453 0.223 0 50 FCAA CN=c1[nH]cnc2cc(C(=O)N3CCc4c(cnn4C)[C@H]3C(N)=O)ccc12 1875395925 PVFBLCPQNZEBAU-HNNXBMFYSA-N 365.397 0.052 0 50 FCAA Cc1nnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC(=O)N([C@@H](C)C3CC3)C2)o1 1875405629 KRLJRDICWHWAGV-PUPMMZHASA-N 359.430 0.815 0 50 FCAA Cc1c(NC(=O)CN(C)C2(C(=O)O)CC2)c(=O)n(-c2ccccc2)n1C 2325773076 QVPAKICZLNDCFM-UHFFFAOYSA-N 358.398 0.972 0 50 FCAA C[C@]1(c2nn[nH]n2)CCN(C(=O)[C@@H]2CCCN(Cc3ccncc3)C2)C1 2325809077 CRJAIQNSXSFGFK-QAPCUYQASA-N 355.446 0.997 0 50 FCAA CC(=O)N1C[C@H]2[C@@H](NC(=O)N3C[C@@H]4CCCC(=O)N[C@@H]4C3)CCC[C@H]2C1 2325826978 QYCNHVYGMPHQCZ-ZOFXXKQRSA-N 362.474 0.944 0 50 FCAA CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 6490079 TWGHYTJAZCJWAQ-JWKOBGCHSA-N 372.834 0.802 0 50 FCAA COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 41241736 PYWUKFVJYNSWKP-AWEZNQCLSA-N 371.437 0.991 0 50 FCAA CCN1CCC[C@@H]1Cn1c(=O)n(CCC(N)=O)c2cc(C(=O)O)ccc21 55054725 YPZKVFSHINUOBB-CYBMUJFWSA-N 360.414 0.861 0 50 FCAA COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C2 65435683 PVSJUOJFKPWMJH-CYBMUJFWSA-N 362.430 0.907 0 50 FCAA CCn1c(C2CCN(C(=O)CCCN3CCOCC3)CC2)nn(C)c1=O 67514943 GSENYAIKBNQZCS-UHFFFAOYSA-N 365.478 0.420 0 50 FCAA O=C1NCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)[C@@H]1CCO 67605706 UYMZFIOJWSUJFK-CQSZACIVSA-N 362.361 0.451 0 50 FCAA CNS(=O)(=O)CCNC(=O)c1coc(COc2ccc(F)cc2)n1 67841257 QRWMNNKAZPERAW-UHFFFAOYSA-N 357.363 0.672 0 50 FCAA CS(=O)(=O)NCC(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 67847085 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Cc1nn(C(C)C)c(C)c1NC(=O)N(CCO)[C@H]1CS(=O)(=O)C[C@@H]1O 1565507194 GRQJBHHLVGXYSG-STQMWFEESA-N 374.463 0.065 0 50 FCAA O=C(CCN1CCOCC1)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565516815 GMALXQHMOOPIPH-ROUUACIJSA-N 364.442 0.554 0 50 FCAA O=C(c1c[nH]c(=O)cn1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857739106 JRXWBKRFFCQRRT-DYVFJYSZSA-N 350.378 0.994 0 50 FCAA CCN1C[C@@H](C(=O)NS(=O)(=O)C2Cc3ccccc3C2)CCC1=O 1875270351 KKSQOGOKNAITRG-AWEZNQCLSA-N 350.440 0.858 0 50 FCAA N[C@@H]1CCc2cc(C(=O)Nc3cn([C@@H]4CCOC4)nn3)ccc2NC1=O 1875405852 QACIJPRAPHGCDK-CHWSQXEVSA-N 356.386 0.704 0 50 FCAA O=C(O)c1cn([C@H]2C[C@H](C(=O)N3CC4(CCC4)[C@@](F)(CO)C3)C2)nn1 1875408199 QGVXQJBKCXIDRE-MMPTUQATSA-N 352.366 0.641 0 50 FCAA Cn1nc2cccc(NC(=O)CN3CCN(c4ncccn4)CC3)c2n1 2100534314 CHADCTWLEUQGIF-UHFFFAOYSA-N 352.402 0.519 0 50 FCAA Nc1nc(N)c(-c2c(-c3ccsc3)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1 12360699 RQUYPCDEXRAUBY-UHFFFAOYSA-N 356.371 0.477 0 50 FCAA CN1C(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CCN2C(=O)[C@@H]1CO 14532322 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LXPZHCVKLFKNPK-MSOLQXFVSA-N 371.441 0.851 0 50 FCAA O=C(N[C@H]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1O)c1cnccn1 1565506096 UWFDZNWXPVLUEJ-BBRMVZONSA-N 370.438 0.847 0 50 FCAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)C1CCS(=O)(=O)CC1 1565514793 MYRFWRYOPJKQOZ-KBPBESRZSA-N 354.428 0.559 0 50 FCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(N3CCOCC3)no2)C1 1772810717 OYLBRONZFDAIMC-LBPRGKRZSA-N 357.432 0.408 0 50 FCAA O=C(N[C@H]1CC[C@H](C(=O)N2CCSCC2)C[C@@H]1O)c1cnccn1 1857707322 NTNCRRBPAVBFBF-OBJOEFQTSA-N 350.444 0.311 0 50 FCAA COC1CCN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3ccncc3F)C2)CC1 1875250085 WNIIIQBXIARNIO-IUIKQTSFSA-N 365.405 0.727 0 50 FCAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CC(Oc3ncccn3)C2)ncn1 1875401697 PIIPZMIJMIMEJO-ZIAGYGMSSA-N 371.445 0.035 0 50 FCAA CC1(C)C[C@H](S(=O)(=O)NC(=O)Cn2ncc(=O)c3ccccc32)CO1 2325758483 FXCZVEAXTCZMTC-NSHDSACASA-N 365.411 0.410 0 50 FCAA NC1CCC2(CC1)CN(C(=O)c1cnc3nc(O)nc(O)c3c1)CCO2 2325829167 AZOOWIXIQFXKPI-UHFFFAOYSA-N 359.386 0.549 0 50 FCAA 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NCCc1nnc(SCc2nc(C(N)=O)no2)n1-c1ccc(F)cc1 534631009 AFHQOUIRCORJED-UHFFFAOYSA-N 363.378 0.682 0 50 FCAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 886089039 SJTOUDCQUYOTTM-SFHVURJKSA-N 357.414 0.716 0 50 FCAA Cn1c(N[C@H]2COC[C@H]2Cc2ccncc2)nc2c1c(O)nc(=O)n2C 1704300870 YURGXQWUTBZCQB-NEPJUHHUSA-N 356.386 0.437 0 50 FCAA CN1CCc2[nH]nc(C(=O)N3CCC[C@@]4(CCc5cnc(N)nc54)C3)c2C1 1704343743 MZBFKFWITBKYAB-LJQANCHMSA-N 367.457 0.890 0 50 FCAA Cn1cc(CN2CC[C@H](NCc3cccc4c3OCO4)C2)c(C(N)=O)n1 1775961720 UWVXMYVQVWUFKR-AWEZNQCLSA-N 357.414 0.612 0 50 FCAA O=C(NCCc1nc(Cc2ccccc2)no1)c1cn2c(n1)CCNCC2 1857736510 JVPRVDVHBCTBLV-UHFFFAOYSA-N 366.425 0.975 0 50 FCAA CCc1cccc(C)c1N1C[C@H](C(=O)N[C@@H]2CCC(=O)NC2=O)CC1=O 1857798105 OZSBJGINUNTJDU-ZIAGYGMSSA-N 357.410 0.832 0 50 FCAA CCN1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCCN3C(C)C)CC2)C1 1875271536 MMRWTYYVSHXCAK-ROUUACIJSA-N 352.523 0.724 0 50 FCAA O=C(Cn1ccnn1)NC1CC2(CCN(c3ncnc4c3COC4)C2)C1 1875404950 FBJKWLGPIICFAE-UHFFFAOYSA-N 355.402 0.274 0 50 FCAA COCCC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2)C[C@H]1O 1940195936 WWNBEXRAUOUVGZ-NUEKZKHPSA-N 350.415 0.604 0 50 FCAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn12 1940196023 DRJRKPMRTBYHFG-UHFFFAOYSA-N 359.411 0.605 0 50 FCAA O=C([C@H]1CCc2ncnn2C1)N1CCc2nc(C3CCOCC3)nn2CC1 2356152185 SFUOMNSIRKAPAQ-AWEZNQCLSA-N 371.445 0.411 0 50 FCAA CC(C)CCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C 631634 OPXCAILIIYCBBH-UHFFFAOYSA-N 362.434 0.171 0 50 FCAA biogenic O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680863 TXLFNNOAYVMGIK-LLVKDONJSA-N 360.457 0.678 0 50 FCAA COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(N)=O)CC1 16648680 XNZOTKQOTZGPOF-UHFFFAOYSA-N 369.443 0.283 0 50 FCAA COc1cc(/C=c2/sc3nc(=O)c(C)nn3c2=O)ccc1OC(C)=O 19912314 LOEUDPXZHNAWFG-NTUHNPAUSA-N 359.363 0.301 0 50 FCAA C[C@H](NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)C(N)=O 23373659 WTLVQMZWULAZKY-AWEZNQCLSA-N 371.441 0.596 0 50 FCAA CCN1Cc2nc(OC)c(CNC(=O)c3ccc(=O)n(C)n3)cc2C1=O 71748146 KMDGHUBYMYMRTL-UHFFFAOYSA-N 357.370 0.090 0 50 FCAA 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FCAA CN(C)Cc1nnc([C@H]2C[C@H](Nc3cncc(C(=O)N(C)C)n3)C2)n1C 244734590 NIJBVHFFPPCOSL-HAQNSBGRSA-N 358.450 0.727 0 50 FCAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 289917791 QMMIMGQHVJHWFE-ZDUSSCGKSA-N 350.448 0.767 0 50 FCAA COCCN1C[C@@H](CNC(=O)c2cc(CC(C)C)nc(O)n2)CC1=O 299764700 CNECTXVTBOLNIS-GFCCVEGCSA-N 350.419 0.605 0 50 FCAA CN1N=C(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)CCC1=O 328617444 CTSBDOYDYPMUCO-HNNXBMFYSA-N 372.429 0.585 0 50 FCAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCN(c2cc(O)nc(N)n2)CC1 426443520 YKUQAHHQIZWOAT-LBPRGKRZSA-N 359.434 0.994 0 50 FCAA Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3noc4ccccc34)cnc21 438987823 QHTLUJUVCHSBEZ-UHFFFAOYSA-N 373.350 0.976 0 50 FCAA CN1CCN(CC2(CNC(=O)NC[C@@H](O)Cc3ccccc3)CC2)CC1 534651782 GQENPKIKWFCYDP-SFHVURJKSA-N 360.502 0.917 0 50 FCAA CCN1C[C@@H](NC(=O)c2ccc(-c3cc4nncn4c(N)n3)cc2)CC1=O 584901099 PDQCZHAUCQKFIU-ZDUSSCGKSA-N 365.397 0.724 0 50 FCAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cc3ncc(CCO)cn3n2)C1 670460397 PFOKOHYJOHYORP-CQSZACIVSA-N 359.430 0.641 0 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